O=C(O)c1ccc(CSc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)cc1 ZINC000001011603 JJ Annotated Anodyne O=C(O)c1cccc(N2C(=O)C(O)=C(c3ccccc3)[C@H]2C(=O)c2ccc(Br)cc2)c1 ZINC000001020665 JJ Annotated Anodyne CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O ZINC000001148152 JJ Annotated Clean CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O ZINC000001148155 JJ Annotated Clean Cc1ccc(S(=O)(=O)Nc2nc(C)c(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001156877 JJ Annotated Anodyne O=C1NC(=S)N=C(O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O ZINC000001177569 JJ Annotated Clean Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)cc12 ZINC000001339720 JJ Annotated Anodyne Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cn(C)nc1C ZINC000001341507 JJ Annotated Anodyne Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cn(C)nc1C ZINC000001341508 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000001460880 JJ Annotated Anodyne Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccc(Br)cc1 ZINC000001483719 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000001491466 JJ Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2 ZINC000100013703 JJ Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2 ZINC000100013705 JJ Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000100014613 JJ Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000100014615 JJ Annotated Mild CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000100027710 JJ Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000100027715 JJ Annotated Reactive O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)C=CN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 ZINC000100029536 JJ Annotated Clean O=[N+]([O-])[C@H]1[C@@H](c2ccccc2Br)C=CN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 ZINC000100029540 JJ Annotated Clean N#Cc1cc(-c2ccoc2)c2ccc(COc3cccc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000100035007 JJ Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(COc3cccc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000100035008 JJ Annotated Mild Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3N(C)C(=O)C2)cc1 ZINC000100041391 JJ Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(CS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2 ZINC000100044682 JJ Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(CS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2 ZINC000100044685 JJ Annotated Anodyne CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21 ZINC000100052681 JJ Annotated Mild fda CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21 ZINC000100052685 JJ Annotated Mild fda CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21 ZINC000100052688 JJ Annotated Mild fda CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21 ZINC000100052691 JJ Annotated Mild fda COc1ccc([C@H]2C/C=C/C[C@@H](C)Oc3ccccc3C(=O)N(C)[C@H](C(C)C)C(=O)N2)c(OC)c1 ZINC000100085195 JJ Annotated Anodyne COc1ccc([C@@H]2C/C=C/C[C@H](C)Oc3ccccc3C(=O)N(C)[C@@H](C(C)C)C(=O)N2)c(OC)c1 ZINC000100085995 JJ Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccc(Cl)cc5)C[C@@H]3N4)cc2)cc1 ZINC000100086724 JJ Annotated Anodyne COc1ccc([C@@H]2C/C=C/C[C@@H](C)Oc3ccccc3C(=O)N(C)[C@@H](C(C)C)C(=O)N2)c(OC)c1 ZINC000100086926 JJ Annotated Anodyne COc1ccc([C@@H]2C/C=C/C[C@@H](C)Oc3ccccc3C(=O)N(C)[C@H](C(C)C)C(=O)N2)c(OC)c1 ZINC000100087652 JJ Annotated Anodyne COc1ccc([C@H]2C/C=C/C[C@H](C)Oc3ccccc3C(=O)N(C)[C@@H](C(C)C)C(=O)N2)c(OC)c1 ZINC000100087919 JJ Annotated Anodyne COc1ccc([C@H]2C/C=C/C[C@H](C)Oc3ccccc3C(=O)N(C)[C@H](C(C)C)C(=O)N2)c(OC)c1 ZINC000100087993 JJ Annotated Anodyne CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(/C)NCc1ccccc1 ZINC000100096095 JJ Annotated Clean in-vitro CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000100102041 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Br)[C@@H]1c1ccccc1 ZINC000100102398 JJ Annotated Unstable CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000100102614 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCCCC2)[C@@H]1c1ccccc1 ZINC000100102795 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000100103141 JJ Annotated Anodyne O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100108623 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000100108752 JJ Annotated Anodyne COCCCNc1sc(-c2ccc(O)c(OC)c2)cc(=O)c1C(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000100115968 JJ Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000100141176 JJ Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)N(CCC)[C@@H]21 ZINC000100141180 JJ Annotated Anodyne C[C@@]1(C(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)NC1CCCCC1 ZINC000100211019 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](c1ccc3cc4c(c(O)c3c1O)C(=O)C[C@](C)(O)C4)c1cccc(O)c1C2=O ZINC000100249863 JJ Annotated Anodyne COc1ccc(COC[C@@]23N=C4SCc5ccccc5CN4[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000100264295 JJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000100269957 JJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000100269959 JJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000100269962 JJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000100269966 JJ Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000100277468 JJ Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000100277470 JJ Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000100277473 JJ Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000100277477 JJ Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)o1 ZINC000100286676 JJ Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)o1 ZINC000100286678 JJ Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)o1 ZINC000100286681 JJ Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)o1 ZINC000100286685 JJ Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)CCC[C@H](O)/C=C/C(=O)O[C@@]23C(=O)C[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000100371511 JJ Annotated Mild in-vitro biogenic O=C(Nc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@@H](O)CC1)c1cccs1 ZINC000100373247 JJ Annotated Anodyne in-man Cn1ccc2ccc3c4[nH]c5c(CCCN[C@@H]6CC[C@@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000100373880 JJ Annotated Bother O=C1C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]24Cl ZINC000100389360 JJ Annotated Anodyne in-man CCN1CCN(c2cc3[nH]c(S[C@@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 ZINC000100423279 JJ Annotated Anodyne CCN1CCN(c2cc3[nH]c(S[C@@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 ZINC000100423400 JJ Annotated Anodyne Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100455422 JJ Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100455425 JJ Annotated Mild CCOc1ccc(N2C(SCC(=O)Nc3cc(C)on3)=NN/C2=C2\C=Nc3ccccc32)cc1 ZINC000100472433 JJ Annotated Anodyne CC1=NN(c2ccccc2)C(=S)/C1=C\NCCCN/C=C1/C(=S)N(c2ccccc2)N=C1C ZINC000100477826 JJ Annotated Clean COc1ccc(N2C(SCC(=O)N3CCc4ccccc43)=NN/C2=C2/C=Nc3ccccc32)cc1 ZINC000100484985 JJ Annotated Anodyne CCOc1ccc([C@@H]2C/C(=C3/C(=O)Oc4ccccc4C3=O)NN2c2ccccc2)cc1OC ZINC000100486941 JJ Annotated Mild CCOc1ccc([C@H]2C/C(=C3/C(=O)Oc4ccccc4C3=O)NN2c2ccccc2)cc1OC ZINC000100486947 JJ Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000100493599 JJ Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000100493602 JJ Annotated Mild CCCCCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000100506635 JJ Annotated Anodyne CCCCCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000100506638 JJ Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)cc1Cl ZINC000100517483 JJ Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)cc1Cl ZINC000100517489 JJ Annotated Mild CN1CCN(/C=C2/Nc3ccccc3C(=O)N2Cc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 ZINC000100534283 JJ Annotated Anodyne CN1CCN(/C=C2\Nc3ccccc3C(=O)N2Cc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 ZINC000100534289 JJ Annotated Anodyne O=C1C=C/C(=N/Nc2cccc(C(F)(F)F)c2)C=C1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000100537916 JJ Annotated Mild CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1[C@@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000100547015 JJ Annotated Anodyne CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1[C@@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000100547021 JJ Annotated Anodyne CCCCCCOc1ccc(N2C(=O)C[C@H](S/C(N)=N/N=C(/C)c3cccs3)C2=O)cc1 ZINC000100566946 JJ Annotated Mild CC1=Nc2ccccc2/C1=C/NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000100567395 JJ Annotated Reactive Cc1ccccc1COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccco2)cc1 ZINC000100589812 JJ Annotated Mild Cc1ccccc1COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccco2)cc1 ZINC000100589815 JJ Annotated Mild CCc1cccc2c1N=C/C2=C\NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000100609495 JJ Annotated Reactive N[C@@H](CC1=NC=NC1)C(=O)N[C@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000100618033 JJ Annotated Anodyne N[C@@H](CC1=NC=NC1)C(=O)N[C@@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000100618037 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632764 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c31)[C@H]1CC[C@H](C2)N1 ZINC000100632768 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccccc5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632970 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccccc5)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632976 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(C(F)(F)F)c5[nH]ccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632983 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(C(F)(F)F)c5[nH]ccc5c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632986 JJ Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OCc3ccccc3)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633118 JJ Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OCc3ccccc3)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633120 JJ Annotated Anodyne O=C(CC1CCOCC1)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4occc34)CC2)CC1 ZINC000100636722 JJ Annotated Anodyne CO[C@@H]1CC[C@@H](CC(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1 ZINC000100636875 JJ Annotated Anodyne Cc1cc2occc2c(N2CCN(CC[C@@H]3CC[C@@H](CC(=O)C4CCOCC4)CC3)CC2)n1 ZINC000100636951 JJ Annotated Anodyne Cc1cnc(N2CCN(CC[C@@H]3CC[C@@H](CC(=O)C4CCOCC4)CC3)CC2)c2ccoc12 ZINC000100636970 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000100637039 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@H]1COCCO1 ZINC000100638807 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@@H]1COCCO1 ZINC000100638809 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H](O)C(F)(F)F ZINC000100638824 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H](O)C(F)(F)F ZINC000100638825 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)CC1(O)CCOCC1 ZINC000100638869 JJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100703856 JJ Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c4ccccc4nc-3c2O)cc1 ZINC000100703868 JJ Annotated Anodyne CCc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)s1 ZINC000100703910 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)NCCc1ccccc1 ZINC000100705270 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000100705298 JJ Annotated Anodyne COc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705300 JJ Annotated Anodyne COc1cccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c4ccccc4nc-3c2O)c1 ZINC000100705349 JJ Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCCCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705429 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)NCc1ccco1 ZINC000100705541 JJ Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705545 JJ Annotated Anodyne Cc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(Cl)cc2)s1 ZINC000100705553 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCCCCC1 ZINC000100705563 JJ Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705576 JJ Annotated Anodyne COc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705612 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)NCCc1ccccc1 ZINC000100705628 JJ Annotated Anodyne COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(OC)cc2)o1 ZINC000100705631 JJ Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705636 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)NCc1ccco1 ZINC000100705657 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)N1CCCCC1 ZINC000100705722 JJ Annotated Anodyne CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)CC1 ZINC000100705744 JJ Annotated Anodyne COc1cccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705769 JJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705789 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)N1CCc2ccccc21 ZINC000100705864 JJ Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705874 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000100705877 JJ Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705926 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000100705978 JJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000100706000 JJ Annotated Bother O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000100706022 JJ Annotated Bother O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000100706028 JJ Annotated Bother CCCC(=O)C1=C(O)C(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)=C(O)C(C)(C)C1=O ZINC000100735660 JJ Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc([C@]4(O)C[C@@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000100771022 JJ Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc([C@@]4(O)C[C@@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000100771024 JJ Annotated Mild C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O ZINC000100773657 JJ Annotated Mild in-man endogenous CC(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000100780921 JJ Annotated Mild CC(C)CN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000100780923 JJ Annotated Mild CC[C@H](C1=C(O)O[C@@H]2CCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781592 JJ Annotated Mild CC[C@@H](C1=C(O)O[C@@H]2CCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781600 JJ Annotated Mild CC[C@H](C1=C(O)O[C@H]2CCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781605 JJ Annotated Mild CC[C@@H](C1=C(O)O[C@H]2CCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781612 JJ Annotated Mild CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C ZINC000100784294 JJ Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C ZINC000100784295 JJ Annotated Anodyne in-man endogenous CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC[C@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000100797524 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4OC[C@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000100797525 JJ Annotated Mild CO/N=C1/[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCn1ccnc1 ZINC000100804625 JJ Annotated Mild OCCc1ccc(C2(c3ccc(CCO)s3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 ZINC000100819799 JJ Annotated Anodyne OCCc1ccc(C2(c3ccc(CCO)s3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 ZINC000100819802 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cccc(O)c1C2=O ZINC000100822644 JJ Annotated Anodyne in-man Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cccc(O)c1C2=O ZINC000100822646 JJ Annotated Anodyne in-man biogenic Nc1nc2c3c(ccc2s1)NC(=O)/C3=C\c1cc(Br)c(O)c(Br)c1 ZINC000100846281 JJ Annotated Anodyne CCOc1ccccc1N1CCN(c2[nH]nc(-n3nc(C)cc3C)c3nc4ccccc4c2-3)CC1 ZINC000100863659 JJ Annotated Anodyne C=CCOC(=O)NCCCCCCCCCCCCCCCCOC(=O)C1=C(O)O[C@H](CO)C1=O ZINC000100874550 JJ Annotated Mild CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)C1=O ZINC000100900216 JJ Annotated Mild in-vitro biogenic CCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(=O)CC)c2O)OC(C)(C)C=C3)C1=O ZINC000100901445 JJ Annotated Mild in-vitro biogenic CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000100929018 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000100929022 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000100929024 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000100929027 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000100934752 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000100934753 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000100934756 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000100934758 JJ Annotated Mild CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1cccc(C(F)(F)F)c1)C3)CO2 ZINC000100937043 JJ Annotated Anodyne CCCCCC(=O)Nc1ccc2nc(C(=O)N3C[C@@H]4C[C@@]45C3=CC(=O)c3[nH]cc(C)c35)ccc2c1 ZINC000100950150 JJ Annotated Mild CCCCCC(=O)Nc1ccc2nc(C(=O)N3C[C@H]4C[C@]45C3=CC(=O)c3[nH]cc(C)c35)ccc2c1 ZINC000100950153 JJ Annotated Mild Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5ccccc5)ccc4[nH]1)C3=CC2=O ZINC000100951479 JJ Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5ccccc5)ccc4[nH]1)C3=CC2=O ZINC000100951483 JJ Annotated Mild CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1csc4ccccc14)C3)CO2 ZINC000100984887 JJ Annotated Anodyne O=C(c1ccccc1)[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000100989287 JJ Annotated Anodyne O=C(c1ccccc1)[C@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100989323 JJ Annotated Anodyne O=C(c1ccccc1)[C@H]1N[C@@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000100989329 JJ Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/Cn3ccnc3)ccc1C2)c1ccc(Cl)s1 ZINC000101007531 JJ Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/Cn3ccnc3)ccc1C2)c1ccc(Cl)s1 ZINC000101007535 JJ Annotated Anodyne COc1cc(C(=O)OC[C@H](C)CC2=C(O)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000101017445 JJ Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(C(N)=O)cc2)cc1 ZINC000101022548 JJ Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(C(N)=O)cc2)cc1 ZINC000101022552 JJ Annotated Anodyne N=C(N)c1ccc2ccc(CN(CCC[n+]3cc[nH]c3)C(=O)c3cccc4ccccc34)cc2c1 ZINC000101029438 JJ Annotated Anodyne CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000101031800 JJ Annotated Clean CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c(-c3ccccc3)cccc21 ZINC000101035089 JJ Annotated Anodyne CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101050023 JJ Annotated Anodyne CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101050026 JJ Annotated Anodyne CC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101050028 JJ Annotated Anodyne CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101050032 JJ Annotated Anodyne C/C(=C/C(=O)CC(C)C)CCC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000101085921 JJ Annotated Mild C[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)c1ccco1 ZINC000101091559 JJ Annotated Anodyne C[C@@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)c1ccco1 ZINC000101091560 JJ Annotated Anodyne CC(=O)c1ccc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000101095520 JJ Annotated Anodyne c1ccc2/c(=N/CCCCCCC/N=c3\c4ccccc4nc4n3CCC4)n3c(nc2c1)CCC3 ZINC000101097767 JJ Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CP(C)(C)=O)c(=O)n1CC2 ZINC000101117397 JJ Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000101127766 JJ Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@@]3(C[C@@H]5[C@@H]76)[C@@H]1O ZINC000101127768 JJ Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000101127771 JJ Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@]3(C[C@@H]5[C@@H]76)[C@@H]1O ZINC000101127777 JJ Annotated Mild COC(=O)C(C[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000101135360 JJ Annotated Anodyne COC(=O)C(C[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000101135362 JJ Annotated Anodyne CC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(N(C)C)oc2ccc3ccccc3c2c1=O ZINC000101144112 JJ Annotated Bother CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H]1c1ccccc1 ZINC000101146335 JJ Annotated Bother CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C1 ZINC000101150169 JJ Annotated Bother CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C1 ZINC000101150171 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@]12CC[C@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101164518 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101164521 JJ Annotated Anodyne COc1ccc([C@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000101167065 JJ Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2 ZINC000101177417 JJ Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2 ZINC000101177420 JJ Annotated Anodyne CC(C)=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101190360 JJ Annotated Mild CC(C)=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101190369 JJ Annotated Mild CC(C)=CCN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101190373 JJ Annotated Mild C=C(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101192760 JJ Annotated Mild C=C(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101192765 JJ Annotated Mild C=C(C)CN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000101192767 JJ Annotated Mild COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)n(CP(C)(C)=O)c(=O)n1CC2 ZINC000101194853 JJ Annotated Anodyne C[C@@H]1C[C@@H]2C[C@H]3N[C@H](C[C@H]4C[C@@H](C)C[C@@H]5[C@@H]4CCCN5C=O)CC[C@@H]3[C@H]3C[C@H]2[C@@H](C1)N(C)C3 ZINC000101195474 JJ Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@@H]3CC[C@@H]2CC(O)([C@@H]2CCNC2=O)C3)c(Cl)c1 ZINC000101195814 JJ Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@@H]3CC[C@@H]2CC(O)([C@@H]2CCNC2=O)C3)c(Cl)c1 ZINC000101195816 JJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC[C@@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101219490 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4OC[C@@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101219493 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC[C@@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101219495 JJ Annotated Mild Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](N1CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C1)C2 ZINC000101228203 JJ Annotated Anodyne COc1ccc2c(c1OC)[C@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 ZINC000101256408 JJ Annotated Bother COc1ccc2c(c1OC)[C@@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 ZINC000101256413 JJ Annotated Bother COc1ccc2c(c1OC)[C@@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 ZINC000101256420 JJ Annotated Bother COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CC2 ZINC000101258153 JJ Annotated Anodyne O=C(Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1 ZINC000101331126 JJ Annotated Anodyne COc1ccc2c(c1)C(O)=C(C(=O)Nc1ccc(-c3ccc(Cl)c(Cl)c3)cc1)NS2(=O)=O ZINC000101331167 JJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000101342961 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000101342965 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000101342969 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000101342972 JJ Annotated Mild CC(C)[C@@H]1CCC(=O)N(C2CCOCC2)CCc2cccc(c2)Oc2ccc3c(c2)CN1C(N)=N3 ZINC000101344263 JJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000101350250 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000101350252 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000101350258 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000101350262 JJ Annotated Mild CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccc(N=[N+]=[N-])c([125I])c3)cc12 ZINC000101361120 JJ Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/c3csc(C)n3)C/C=C/[C@@H](O)C1)O2 ZINC000101379896 JJ Annotated Mild CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)NCc2cccs2)c1 ZINC000101380297 JJ Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CO)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101390127 JJ Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CC(N)=O)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101390138 JJ Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000101403115 JJ Annotated Anodyne CC(C)(C)c1cc(Br)c(O)c(/N=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000101403698 JJ Annotated Clean CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 ZINC000101407761 JJ Annotated Clean O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)[C@H](CO)c1ccccc1 ZINC000101410014 JJ Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)[C@@H](CO)c1ccccc1 ZINC000101410017 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(C4CC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101413607 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(C4CC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101413613 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(C4CC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101413615 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(C4CC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101413616 JJ Annotated Anodyne CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12 ZINC000101416510 JJ Annotated Clean O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000101448269 JJ Annotated Anodyne O=C1O/C(=C/Cn2cnc3ncnc(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000101468416 JJ Annotated Anodyne COCC[C@]1(C)CC[C@@H](COc2ccc(OC(C)(C)C)cc2)[C@H](Cn2cncn2)/C1=N/OC ZINC000101470991 JJ Annotated Mild Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(/C(S)=N/c4ccc(F)cc4)CC3)=C(O)C2)cc1 ZINC000101477557 JJ Annotated Mild Cc1noc(C)c1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101481736 JJ Annotated Mild Cc1noc(C)c1CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101481739 JJ Annotated Mild Cc1noc(C)c1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101481741 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@@H]2c1ccc(C)o1 ZINC000101482586 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@H]2c1ccc(C)o1 ZINC000101482589 JJ Annotated Mild CCC[C@@H]1C(=O)c2[nH]c(-c3ccc(OC/C(O)=N\C4CC(C)(C)N([O])C(C)(C)C4)cc3)nc2N=C1O ZINC000101485415 JJ Annotated Mild CCC[C@H]1C(=O)c2[nH]c(-c3ccc(OC/C(O)=N\C4CC(C)(C)N([O])C(C)(C)C4)cc3)nc2N=C1O ZINC000101485420 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101487727 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101487729 JJ Annotated Mild CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(N(C)C)oc2ccc3ccccc3c2c1=O ZINC000101490486 JJ Annotated Bother CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000101491373 JJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000101491375 JJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000101491378 JJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000101491380 JJ Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1C ZINC000101506797 JJ Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1C ZINC000101506799 JJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4[C@H](C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101508339 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4[C@H](C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101508340 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4[C@H](C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101508341 JJ Annotated Mild CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)/C1=C/C=C/CCCC(=O)OC ZINC000101514721 JJ Annotated Mild CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000101522050 JJ Annotated Bother CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000101522067 JJ Annotated Bother COc1ccc(/C(O)=C/c2nc3ccc(C(=O)NCCc4cccc(C)c4)cc3nc2O)cc1OC ZINC000101526517 JJ Annotated Anodyne CCNC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562845 JJ Annotated Anodyne CCOC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562850 JJ Annotated Anodyne COC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562855 JJ Annotated Anodyne O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1 ZINC000101571639 JJ Annotated Anodyne COc1ccc(/C=N/n2cnc3c4cc(F)ccc4nc-3c2O)cc1CSc1ccccn1 ZINC000101589287 JJ Annotated Mild O=c1[nH]c([C@@H]2CC[C@H](c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(=O)n1CCO ZINC000101598338 JJ Annotated Anodyne O=C1C(c2[nH]c3ccccc3c2C2=c3ccccc3=N/C2=C2\Nc3ccccc3C2=O)=Nc2ccccc21 ZINC000101613360 JJ Annotated Mild CC(C)(C)[C@@H](NC(=O)Cc1cccc2ccccc12)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632080 JJ Annotated Mild CC(C)(C)[C@H](NC(=O)Cc1cccc2ccccc12)N/C(=N/C#N)Nc1cccc2ncccc12 ZINC000101632082 JJ Annotated Mild CSc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1 ZINC000101632103 JJ Annotated Mild CSc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1 ZINC000101632106 JJ Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000101633413 JJ Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000101633416 JJ Annotated Mild COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1/N=C/c1c(C)nn(-c2ccccc2)c1O ZINC000101640970 JJ Annotated Mild CO[C@H]1CC[C@@H](n2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000101644434 JJ Annotated Anodyne CCOc1ccccc1NC(=O)CCSc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl ZINC000101648760 JJ Annotated Anodyne CC(/C=C/[C@H](O)C(C)(C)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000101651842 JJ Annotated Mild CC(/C=C/[C@@H](O)C(C)(C)O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000101651848 JJ Annotated Mild COc1ccc(Cc2nnc(/N=N/c3c(O)[nH]c4ccc(Br)cc34)nc2O)cc1 ZINC000101652025 JJ Annotated Clean CCOc1ccc(N2C(=O)C3=NCCNC(c4ccc(Cl)cc4)=C3[C@H]2c2cccnc2)cc1 ZINC000101652619 JJ Annotated Anodyne CCOc1ccc(N2C(=O)C3=NCCNC(c4ccc(Cl)cc4)=C3[C@@H]2c2cccnc2)cc1 ZINC000101652624 JJ Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000101657571 JJ Annotated Anodyne CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000101661624 JJ Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c21 ZINC000101668336 JJ Annotated Anodyne CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c21 ZINC000101668339 JJ Annotated Anodyne CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c21 ZINC000101668341 JJ Annotated Anodyne CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c21 ZINC000101668344 JJ Annotated Anodyne O=C1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101677942 JJ Annotated Anodyne O=C1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101677943 JJ Annotated Anodyne O=C1CC(=O)N([C@@H]2C[C@H]3CC[C@@H]2C3)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101677945 JJ Annotated Anodyne O=C1CC(=O)N([C@H]2C[C@H]3CC[C@@H]2C3)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101677946 JJ Annotated Anodyne CSc1nnc(-c2cc(Br)ccc2/N=C/c2c(C)nn(-c3ccccc3)c2O)c(O)n1 ZINC000101678420 JJ Annotated Mild CC1(C)OC(=O)N([C@@H]2CC[C@@H](NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1 ZINC000101678598 JJ Annotated Anodyne S=C1NC2=C(CNC/C2=C\c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1 ZINC000101679942 JJ Annotated Anodyne S=C1NC2=C(CNC/C2=C\c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)N1 ZINC000101679947 JJ Annotated Anodyne C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)NC56CC7CC(CC(C7)C5)C6)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000101687248 JJ Annotated Mild C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@@H]2C[C@@H](c3ccccc3)C2)C1=O ZINC000101689405 JJ Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@@H]2C[C@H](c3ccccc3)C2)C1=O ZINC000101689410 JJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2CCCO)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101690058 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)CC(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000101693053 JJ Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000101694174 JJ Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@H](C)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000101694310 JJ Annotated Mild C=C1C=C[C@@H]([C@@H]2C=CC(=O)NC2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000101708129 JJ Annotated Mild C=C1C=C[C@@H]([C@H]2C=CC(=O)NC2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000101708131 JJ Annotated Mild Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 ZINC000101716644 JJ Annotated Clean Cc1cc(Br)ccc1SCC(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 ZINC000101739942 JJ Annotated Reactive Cc1ccc(C)c(N2CCN(C(=O)c3ccc(CSc4nc5cc[nH]cc-5n4)cc3)CC2)c1 ZINC000101755470 JJ Annotated Anodyne Cc1cc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3nnc(C)c-3c2N)ccc1Cl ZINC000101779706 JJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3nnc(C)c-3c2N)cc1Cl ZINC000101789098 JJ Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3ON=C(c4cn(-c5ccccc5)nc4-c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000101816082 JJ Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3ON=C(c4cn(-c5ccccc5)nc4-c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000101816089 JJ Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3C(c4cn(-c5ccccc5)nc4-c4ccc(Cl)cc4)=NO[C@H]3C2=O)cc1 ZINC000101816096 JJ Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3ON=C(c4cn(-c5ccccc5)nc4-c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000101816101 JJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3ccc4c5c(cccc35)CC4)nc(=O)c(C)c2O)cc1 ZINC000101816736 JJ Annotated Anodyne aggregator CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101863348 JJ Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101863354 JJ Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]21 ZINC000101867753 JJ Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]21 ZINC000101867757 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOc1ccccc1)[C@@H]2c1ccc(C)o1 ZINC000101873946 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOc1ccccc1)[C@H]2c1ccc(C)o1 ZINC000101873948 JJ Annotated Mild CC1(C)C=C(C(=O)N2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)C(C)(C)N1[O] ZINC000101896338 JJ Annotated Mild CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000101898840 JJ Annotated Anodyne CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000101898854 JJ Annotated Anodyne C/C1=C\[C@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000101909443 JJ Annotated Mild O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000101909664 JJ Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C/[C@H]3[C@H](C/C=C(/C)[C@H](O)[C@H]12)C3(C)C ZINC000101912054 JJ Annotated Mild CC(=O)O[C@H]1/C(C)=C\C[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C ZINC000101912098 JJ Annotated Mild CCCCOc1ccc(/C=C/C(=O)NC2=C(C(=O)OCC)C(C)=Nc3ccccc3N2)cc1OC ZINC000101917640 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C2/C=C(Sc3nc4ccccc4[nH]3)C(=O)c3ccccc32)cc1 ZINC000101919777 JJ Annotated Mild CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000101922352 JJ Annotated Mild CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000101922357 JJ Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc(=O)c4cc(OC(C)=O)ccc4o3)ccc2OC)c1 ZINC000101926879 JJ Annotated Anodyne COc1ccccc1/N=C1\C=C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O ZINC000101930172 JJ Annotated Mild Cc1ccc(Cl)cc1-n1c(SCC(=O)NCCC2=CCCCC2)nc2nnc(C)c-2c1N ZINC000101940303 JJ Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccc(Cl)c(Cl)c1)NCc1ccccc1Cl ZINC000101949937 JJ Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@]4(C)CC[C@@H]2O4)[C@@H]1N5C3 ZINC000101977526 JJ Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@]4(C)CC[C@H]2O4)[C@@H]1N5C3 ZINC000101977529 JJ Annotated Anodyne CCc1cc(=O)c2ccc(OCC(C)C)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101993660 JJ Annotated Anodyne CCc1cc(=O)c2ccc(OCC(C)C)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101993663 JJ Annotated Anodyne COc1cc(NC2=C(Cl)C(=O)c3ccccc3C2=O)ccc1S(=O)(=O)Nc1ccccc1C ZINC000102057011 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/C ZINC000102079854 JJ Annotated Mild CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)/C1=C/C=C\CCCC(=O)OC ZINC000102185810 JJ Annotated Mild NCCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102190957 JJ Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102190960 JJ Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102190962 JJ Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102190964 JJ Annotated Anodyne COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 ZINC000102327830 JJ Annotated Reactive COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 ZINC000102327834 JJ Annotated Reactive C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCCCCC ZINC000102343147 JJ Annotated Mild COc1cccc([C@@H]2c3c(ncn(CCCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102364159 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)CC2)nc1 ZINC000102405216 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)nc1 ZINC000102405219 JJ Annotated Anodyne COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)c1 ZINC000102414475 JJ Annotated Reactive COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)c1 ZINC000102414477 JJ Annotated Reactive COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000102415025 JJ Annotated Reactive COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000102415027 JJ Annotated Reactive C=CCn1c(O)c(/N=N\C(S)=N/c2ccccc2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000102432546 JJ Annotated Mild COc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 ZINC000102485273 JJ Annotated Clean COc1cc(-c2nc3n(n2)[C@H](c2cccc(OC)c2OC)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000102576360 JJ Annotated Anodyne COc1cc(-c2nc3n(n2)[C@@H](c2cccc(OC)c2OC)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000102576365 JJ Annotated Anodyne CC1(C)CC2=Nc3nc(SCCN4CCOCC4)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000102597371 JJ Annotated Anodyne CC1(C)CC2=Nc3nc(SCCN4CCOCC4)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000102597373 JJ Annotated Anodyne COc1cc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000102689959 JJ Annotated Anodyne COc1cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000102689962 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1OC ZINC000102691940 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1OC ZINC000102691943 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)cc1OC ZINC000102727243 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)cc1OC ZINC000102727250 JJ Annotated Anodyne Cc1ccc(NC(=O)Cn2c(O)c(/N=N\C(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 ZINC000102763970 JJ Annotated Clean Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC(=O)NCc4ccco4)nc(O)c32)cc1 ZINC000102772232 JJ Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC(=O)NCc4ccco4)nc(O)c32)cc1 ZINC000102772233 JJ Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)c1 ZINC000102773424 JJ Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)c1 ZINC000102773426 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@](c3ccsc3)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000102817332 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](c3ccsc3)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000102817334 JJ Annotated Anodyne NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102820739 JJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102820740 JJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102820742 JJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000102820744 JJ Annotated Bother CCOC(=O)CSc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12 ZINC000102840804 JJ Annotated Anodyne COc1ccc([C@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(c4ccc(OC)cc4oc2=O)O3)cc1 ZINC000102847644 JJ Annotated Mild COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(c4ccc(OC)cc4oc2=O)O3)cc1 ZINC000102847645 JJ Annotated Mild COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000102852444 JJ Annotated Mild COc1ccc([C@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000102852448 JJ Annotated Mild Cc1cc(Br)ccc1SCC(=O)OC/C(O)=C(/C#N)c1nc2ccccc2[nH]1 ZINC000102867447 JJ Annotated Reactive CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@@](c3ccsc3)(Cc3cc(OC)c(OC)cc31)O2 ZINC000102869180 JJ Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@@H]1O[C@](c3ccsc3)(Cc3cc(OC)c(OC)cc31)O2 ZINC000102869183 JJ Annotated Anodyne COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(cc(C)n(-c4ccccc4)c2=O)O3)cc1 ZINC000102871645 JJ Annotated Mild COc1ccc([C@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(cc(C)n(-c4ccccc4)c2=O)O3)cc1 ZINC000102871654 JJ Annotated Mild COc1ccc([C@H]2C=CCN(C(=O)C3CCCC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102885965 JJ Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C\[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000102905332 JJ Annotated Anodyne CC(C)(C)OC(=O)N1N=N[C@@H]2[C@@H]1[C@@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@@H]2O1 ZINC000102920462 JJ Annotated Anodyne Cn1c2n/c(=N\c3ccc(Cl)cc3)[n+]3ccc4ccccc4c3c-2c(O)n1-c1ccccc1 ZINC000102923024 JJ Annotated Bother CO[C@@H]1CC[C@@H](n2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000102923716 JJ Annotated Anodyne C[C@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1nc(C34CC5CC(CC(C5)C3)C4)cs1)C(=O)N2 ZINC000102933691 JJ Annotated Anodyne C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1nc(C34CC5CC(CC(C5)C3)C4)cs1)C(=O)N2 ZINC000102933694 JJ Annotated Anodyne CC1=C2C(c3ccccc3)(c3ccccc3)[C@H]3C=C[C@]2(C=N3)N(C(=O)NC2CCCCC2)C1=O ZINC000102940242 JJ Annotated Anodyne CC1=C2C(c3ccccc3)(c3ccccc3)[C@@H]3C=C[C@@]2(C=N3)N(C(=O)NC2CCCCC2)C1=O ZINC000102940247 JJ Annotated Anodyne COc1cc(-c2nnc3n([C@@H](CO)c4ccc(F)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945174 JJ Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000102945590 JJ Annotated Mild C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000102945594 JJ Annotated Mild COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945766 JJ Annotated Anodyne O=C(O)c1ccc(CSc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@H](C6)[C@@H]5C4=O)cc3s2)cc1 ZINC000102955359 JJ Annotated Anodyne O=C(O)c1ccc(CSc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@H](C6)[C@H]5C4=O)cc3s2)cc1 ZINC000102955362 JJ Annotated Anodyne COC(=O)N/N=C(\C)[C@@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102957211 JJ Annotated Reactive COC(=O)N/N=C(\C)[C@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102957213 JJ Annotated Reactive O=C1C=C(NCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000102957962 JJ Annotated Reactive O=C1C([C@@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000102961469 JJ Annotated Bother O=C1C([C@@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 ZINC000102961471 JJ Annotated Bother O=C1C([C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000102961474 JJ Annotated Bother O=C1C([C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 ZINC000102961479 JJ Annotated Bother COP(=O)(OC)/C(=C\C1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1)NC=O ZINC000102963783 JJ Annotated Anodyne CC1=C(C)[C@@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]2(C#N)[C@@H](c2ccccc2)N1 ZINC000102964759 JJ Annotated Mild Cn1c(=O)c(NC(=O)CCCCCCCCCCOn2nnc3ccccc32)c(O)c2ccccc21 ZINC000102972531 JJ Annotated Anodyne Cc1ccc(NC(=O)CCC(=O)[C@H]2CC(=O)CC/C2=N\NC(=O)c2cc3ccccc3cc2O)cc1C ZINC000102979158 JJ Annotated Reactive Cc1ccc(NC(=O)C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000102984574 JJ Annotated Mild Cc1ccc(NC(=O)C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000102984578 JJ Annotated Mild O=C(O)/C(O)=C/C(=O)c1cc(Cc2cccc(Cl)c2F)cn(Cc2cccc(Cl)c2)c1=O ZINC000102988050 JJ Annotated Mild O=C(O)/C(O)=C/C(=O)c1cc(Cc2cccc(Cl)c2)cn(Cc2cccc(Cl)c2F)c1=O ZINC000102988444 JJ Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)C2CCNCC2)CC1 ZINC000102990438 JJ Annotated Reactive C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)C2CCN(C)CC2)CC1 ZINC000102990443 JJ Annotated Reactive CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000102997095 JJ Annotated Anodyne C[C@H]1COc2c(NC(=O)[C@@H]3CC[C@@H](COc4ccccc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000103029314 JJ Annotated Anodyne C[C@H]1COc2c(NC(=O)[C@@H]3CC[C@H](COc4ccccc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000103030850 JJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccnc1 ZINC000103056791 JJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccnc1 ZINC000103056794 JJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccc(Cl)cc3)nc(Br)c3cccnc23)CC1 ZINC000103064691 JJ Annotated Anodyne CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@@H]1OCCN(CCO)CCO ZINC000103078924 JJ Annotated Bother COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000103088149 JJ Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000103088152 JJ Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cnccn1 ZINC000103125125 JJ Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cnccn1 ZINC000103125128 JJ Annotated Anodyne COc1ccc(CCNC(=O)c2cc([C@@H](NC(=O)OC(C)(C)C)C(C)C)sc2N)cc1OC ZINC000103126170 JJ Annotated Anodyne F[C@H]1O[C@H]2O[C@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H]2OCc1ccccc1 ZINC000103132771 JJ Annotated Anodyne N#Cc1c(-c2ccccc2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134048 JJ Annotated Mild N#Cc1c(-c2ccccc2F)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134569 JJ Annotated Mild N#Cc1c(-c2cccc(F)c2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134571 JJ Annotated Mild N#Cc1c(-c2ccc(F)cc2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134573 JJ Annotated Mild Cc1ccc(-c2c(C#N)c(N)n(/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c2C#N)cc1 ZINC000103134575 JJ Annotated Mild CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4ccccc4)cc23)cc1 ZINC000103135358 JJ Annotated Anodyne C=C1[C@H]2C[C@H](OC(=O)c3ccc(N(C)C)cc3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103143061 JJ Annotated Mild C=C1[C@H]2C[C@H](OC(=O)Nc3nccs3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103143069 JJ Annotated Mild COc1ccc([C@H]2C3=C(CCCC3)Nc3ncn4nc(-c5ccc(O)cc5)nc4c32)cc1OC ZINC000103156196 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3ncn4nc(-c5ccc(O)cc5)nc4c32)cc1OC ZINC000103156198 JJ Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000103156507 JJ Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 ZINC000103156511 JJ Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(OC)ccc21 ZINC000103156516 JJ Annotated Mild COc1cc(OC)c2c(C(=O)/C=C(\O)C(=O)O)cn(Cc3ccc(Cl)cc3Cl)c2c1 ZINC000103157073 JJ Annotated Mild COc1cc2c(C(=O)/C=C(\O)C(=O)O)cn(Cc3ccc(Cl)cc3Cl)c2cc1OC ZINC000103157080 JJ Annotated Mild COc1ccc([C@H]2C3=C(CCCC3)Nc3nc(-c4ccc(N(C)C)cc4)[nH]c(=O)c32)cc1OC ZINC000103162539 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3nc(-c4ccc(N(C)C)cc4)[nH]c(=O)c32)cc1OC ZINC000103162540 JJ Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2cc(OC)ccc21 ZINC000103166646 JJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2cc(OC)ccc21 ZINC000103166648 JJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2ccccc21 ZINC000103166666 JJ Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2ccccc21 ZINC000103166668 JJ Annotated Mild O=C1N(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1Cn1nnc2ccccc21 ZINC000103167116 JJ Annotated Anodyne O=C(CSc1nnc([C@H]2CCn3c(C(=O)c4ccccc4)ccc32)o1)c1cc2ccccc2oc1=O ZINC000103167603 JJ Annotated Anodyne O=C(CSc1nnc([C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)o1)c1cc2ccccc2oc1=O ZINC000103167605 JJ Annotated Anodyne CCCc1cc(CCC)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)n1 ZINC000103169440 JJ Annotated Anodyne CCCc1cc(CCC)nc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)n1 ZINC000103169441 JJ Annotated Anodyne COc1cc2cc(CN3C(=O)CC[C@H]3C(=O)OC(C)(C)C)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103170798 JJ Annotated Bother Cc1nn(-c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2F)c(=O)n1CCCn1ccnc1 ZINC000103172338 JJ Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1Cl ZINC000103172518 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1Cl ZINC000103172522 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(F)c2)cc1Cl ZINC000103172526 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(F)c2)cc1Cl ZINC000103172528 JJ Annotated Anodyne C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(OC)ccc21 ZINC000103172815 JJ Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(OC)ccc21 ZINC000103172817 JJ Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2F)cc1Cl ZINC000103173023 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2F)cc1Cl ZINC000103173025 JJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/OC(C(F)(F)F)C(F)(F)F)cc1 ZINC000103173668 JJ Annotated Mild COC(=O)[C@H]1CCCCN1Cc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103175454 JJ Annotated Bother COC(=O)[C@@H]1CCCCN1Cc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103175457 JJ Annotated Bother COc1ccc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(Cl)cc2)cc1O ZINC000103178640 JJ Annotated Mild CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000103179167 JJ Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1COc1nc(Cl)c(Cl)c(C(F)(F)F)c1Cl ZINC000103180000 JJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2cc(C)ccc21 ZINC000103184013 JJ Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2cc(C)ccc21 ZINC000103184015 JJ Annotated Mild CSc1cc(C)nc(NC(=S)NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)n1 ZINC000103184255 JJ Annotated Anodyne COc1cc(Cl)nc(NC(=S)NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)n1 ZINC000103184257 JJ Annotated Anodyne COc1cc(SC)nc(NC(=S)NC(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)n1 ZINC000103184260 JJ Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)/N=c1/nc2nc(Cl)cc(C)n2s1 ZINC000103184312 JJ Annotated Anodyne CSc1cc(C)nc2n/c(=N/C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)sn12 ZINC000103184316 JJ Annotated Anodyne COc1cc(SC)nc2n/c(=N/C(=O)c3c(-c4ccc(Cl)cc4Cl)noc3C)sn12 ZINC000103184388 JJ Annotated Anodyne COc1ccc(OC)c(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(C)cc2)c1 ZINC000103185979 JJ Annotated Mild Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103186346 JJ Annotated Mild COc1cc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(Cl)cc2)ccc1O ZINC000103187221 JJ Annotated Mild Nc1nc(-c2ccc(-n3c(-c4ccncc4)nc4ccc(Br)cc4c3=O)cc2)cs1 ZINC000103187682 JJ Annotated Anodyne O=[N+]([O-])c1cccc(/C=N/[C@@H]2Oc3ccccc3C[C@@H]2c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000103188104 JJ Annotated Mild O=[N+]([O-])c1cccc(/C=N/[C@@H]2Oc3ccccc3C[C@H]2c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000103188107 JJ Annotated Mild O=[N+]([O-])c1cccc(/C=N/[C@H]2Oc3ccccc3C[C@@H]2c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000103188110 JJ Annotated Mild O=[N+]([O-])c1cccc(/C=N/[C@H]2Oc3ccccc3C[C@H]2c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000103188112 JJ Annotated Mild Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c(=O)n3-c3nccs3)cc2)cc1 ZINC000103188667 JJ Annotated Anodyne CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000103188827 JJ Annotated Anodyne O=C(NCCc1ccccc1)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103189358 JJ Annotated Anodyne COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000103189517 JJ Annotated Reactive COc1ccc(Oc2nc3ccc(OC)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000103189518 JJ Annotated Reactive COc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000103189521 JJ Annotated Reactive COc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000103189523 JJ Annotated Reactive S=c1n(CN2CCOCC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 ZINC000103189543 JJ Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1cccs1 ZINC000103189584 JJ Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1cccs1 ZINC000103189588 JJ Annotated Anodyne C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1cccs1 ZINC000103189591 JJ Annotated Anodyne C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1cccs1 ZINC000103189593 JJ Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2cccc3cc(OC)ccc23)c1 ZINC000103191375 JJ Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2cccc3cc(OC)ccc23)c1 ZINC000103191380 JJ Annotated Anodyne S=c1n(CN2CCOCC2)nc(-c2cccc(Cl)c2)n1-c1ccc(Br)cc1 ZINC000103191532 JJ Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccccc2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193438 JJ Annotated Anodyne C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(O)cc1 ZINC000103194114 JJ Annotated Reactive CCc1cc(CC)cc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000103197449 JJ Annotated Clean O=[N+]([O-])c1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103200246 JJ Annotated Bother C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200297 JJ Annotated Bother C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200299 JJ Annotated Bother C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200301 JJ Annotated Bother C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200304 JJ Annotated Bother COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2C(=S)Nc2ccc(F)cc2)cc1OC ZINC000103200651 JJ Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(Cl)cc2)cc1F ZINC000103200747 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(Cl)cc2)cc1F ZINC000103200749 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(Cl)c2)cc1F ZINC000103200752 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(Cl)c2)cc1F ZINC000103200754 JJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2cc(COCC(F)(F)F)on2)cc1 ZINC000103201090 JJ Annotated Anodyne O=c1c2c(SCc3ccccc3)nn(-c3ccccc3)c2nc2n(-c3cccc(F)c3)cnn12 ZINC000103201110 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1F ZINC000103201727 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1F ZINC000103201728 JJ Annotated Anodyne O=c1c2c(SCc3ccccc3)nn(-c3ccccc3)c2nc2n(-c3ccccc3)cnn12 ZINC000103202329 JJ Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)c1ccccc1I ZINC000103202992 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)c1ccccc1I ZINC000103202994 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4ccccc4I)[C@@H]3C[C@H]12 ZINC000103202997 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4ccccc4I)[C@@H]3C[C@H]12 ZINC000103203000 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)c1ccc(I)cc1 ZINC000103203002 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)c1ccc(I)cc1 ZINC000103203004 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4ccc(I)cc4)[C@@H]3C[C@H]12 ZINC000103203006 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4ccc(I)cc4)[C@@H]3C[C@H]12 ZINC000103203007 JJ Annotated Mild CCOC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103204891 JJ Annotated Mild CCCOC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103204894 JJ Annotated Mild CC(C)OC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103204896 JJ Annotated Mild Cc1ccc(S(=O)(=O)c2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccccc2)cc1 ZINC000103205010 JJ Annotated Mild COc1ccc(S(=O)(=O)c2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccccc2)cc1 ZINC000103205014 JJ Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000103205051 JJ Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000103205053 JJ Annotated Bother O=C1/C(=N\NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2N1Cc1ccc(F)cc1 ZINC000103206054 JJ Annotated Mild Cc1ccc2nc(Sc3nnc(-c4cccs4)n3-c3ccccc3)c3nnc(N)n3c2c1 ZINC000103206998 JJ Annotated Anodyne C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1 ZINC000103207149 JJ Annotated Mild C[C@H](C(=O)Nc1ccc(C#N)cc1)N1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1 ZINC000103207152 JJ Annotated Mild COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(F)cc3F)N=C2c2ccc(F)cc2)cc1 ZINC000103207156 JJ Annotated Anodyne COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(F)cc3F)N=C2c2ccc(F)cc2)cc1 ZINC000103207159 JJ Annotated Anodyne Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)CC(C)(C)C ZINC000103207295 JJ Annotated Reactive O=C1CCC(c2ccc(Cl)cc2)=NN1c1ccc(S(=O)(=O)NC(=S)Nc2ccccc2)cc1 ZINC000103208533 JJ Annotated Anodyne Cc1cc(Br)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)C ZINC000103208667 JJ Annotated Reactive Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1F ZINC000103209010 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1F ZINC000103209012 JJ Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(C(F)(F)F)cc3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103210507 JJ Annotated Anodyne CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 ZINC000103210775 JJ Annotated Reactive CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 ZINC000103210778 JJ Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC ZINC000103210782 JJ Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC ZINC000103210784 JJ Annotated Reactive Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2Cl)cc1F ZINC000103212318 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2Cl)cc1F ZINC000103212321 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000103212335 JJ Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000103212337 JJ Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000103212340 JJ Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000103212343 JJ Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000103212346 JJ Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000103212350 JJ Annotated Bother O=c1c2c(SCc3ccccc3)nn(-c3ccccc3)c2nc2n(-c3ccc(F)cc3)cnn12 ZINC000103212600 JJ Annotated Anodyne O=c1c2c(SCc3ccccc3)nn(-c3ccccc3)c2nc2n(-c3ccccc3F)cnn12 ZINC000103212605 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc(OC)c1OC ZINC000103213542 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc(OC)c1OC ZINC000103213546 JJ Annotated Anodyne Cn1c(=O)cc(Oc2nc(NCc3ccccc3)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21 ZINC000103214223 JJ Annotated Mild Cn1c(=O)cc(Oc2nc(NCCc3cccs3)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21 ZINC000103214226 JJ Annotated Mild Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)n1 ZINC000103216161 JJ Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C\c1cccc(OC)c1O)[C@H](c1cccc(OC)c1O)O2 ZINC000103216301 JJ Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C\c1cccc(OC)c1O)[C@@H](c1cccc(OC)c1O)O2 ZINC000103216303 JJ Annotated Mild CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)o2)c(Cl)c1=O ZINC000103217200 JJ Annotated Bother O=C(N/N=C(\C=C\c1ccccc1O)c1ccc(O)cc1O)Nc1ccc(Br)cc1 ZINC000103217209 JJ Annotated Reactive COc1cc(/C=C2\C(=O)c3cc(OC)c(OC)cc3O[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000103217581 JJ Annotated Mild COc1cc(/C=C2\C(=O)c3cc(OC)c(OC)cc3O[C@@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000103217584 JJ Annotated Mild Cc1cc(C)c(C2=C(OC(=O)C(=O)Oc3ccc(Cl)cc3)C3(CCCC3)OC2=O)c(C)c1 ZINC000103217609 JJ Annotated Anodyne C/C(=N\n1c(/N=C/c2ccccc2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103217710 JJ Annotated Mild C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 ZINC000103218185 JJ Annotated Bother C[C@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 ZINC000103218187 JJ Annotated Bother C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 ZINC000103218189 JJ Annotated Bother C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 ZINC000103218190 JJ Annotated Bother C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 ZINC000103218223 JJ Annotated Bother C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 ZINC000103218226 JJ Annotated Bother C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 ZINC000103218228 JJ Annotated Bother C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 ZINC000103218231 JJ Annotated Bother C/C=C/NC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103218284 JJ Annotated Mild Cc1nn(-c2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1/C=N/OCc1ccc(Cl)nc1 ZINC000103218335 JJ Annotated Mild N/C(=N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)SCC(=O)Nc1cccs1 ZINC000103219463 JJ Annotated Mild O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCN(c4ccccc4)CC3)n2)c2ccccc2o1 ZINC000103219509 JJ Annotated Anodyne CCOC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000103219515 JJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(COC(C(F)(F)F)C(F)(F)F)cc1 ZINC000103219630 JJ Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000103219730 JJ Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000103219731 JJ Annotated Bother CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(Cl)cc2Cl)no1)C(C)C ZINC000103220934 JJ Annotated Reactive Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(O)c2)cc1F ZINC000103222025 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(O)c2)cc1F ZINC000103222026 JJ Annotated Anodyne Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(Br)cc3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103222373 JJ Annotated Anodyne NC(=O)N/N=C/c1c(-c2ccccc2)n(CC(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000103224029 JJ Annotated Reactive COc1cc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2cccc(C(F)(F)F)c2)C3)ccc1-n1cnc(C)c1 ZINC000103225539 JJ Annotated Anodyne CCC(CC)C(=O)Nc1ccc(N2CCN([C@@H](c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 ZINC000103226270 JJ Annotated Mild CCC(CC)C(=O)Nc1ccc(N2CCN([C@H](c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 ZINC000103226273 JJ Annotated Mild O=C(Cn1cc(C2(O)CCCC2)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226781 JJ Annotated Anodyne COc1cc(/C=C(\C)[N+](=O)[O-])c(-c2c(/C=C(\C)[N+](=O)[O-])cc(OC)c(OC)c2OC)cc1OC ZINC000103227151 JJ Annotated Anodyne C[C@@]12CC[C@@H](COC(=O)c3ccccc3)[C@](C)(CCc3ccoc3)[C@H]1C[C@@H](O)C=C2C(=O)O ZINC000103227588 JJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cn[nH]c2cc1F ZINC000103229612 JJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)cc[nH]c2cc1F ZINC000103229615 JJ Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c2ccccc2n1 ZINC000103229617 JJ Annotated Anodyne Cc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21 ZINC000103229622 JJ Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccc(C(F)(F)F)cc5)cn4)ccc(c23)C1=O ZINC000103230291 JJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1F ZINC000103230391 JJ Annotated Anodyne COc1ccc(-c2cn3nc(-c4ccc(NC[C@@H]5CCCO5)c([N+](=O)[O-])c4)sc3n2)cc1 ZINC000103230619 JJ Annotated Bother COc1ccc(-c2cn3nc(-c4ccc(NC[C@H]5CCCO5)c([N+](=O)[O-])c4)sc3n2)cc1 ZINC000103230621 JJ Annotated Bother CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccc(Br)cc5)cn4)ccc(c23)C1=O ZINC000103231054 JJ Annotated Anodyne OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000103231577 JJ Annotated Anodyne O=C([C@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(c2ccc(C(F)(F)F)nc2)CC1 ZINC000103231690 JJ Annotated Anodyne O=C([C@@H](c1ccc(Cl)cc1)c1cccnc1)N1CCN(c2ccc(C(F)(F)F)nc2)CC1 ZINC000103231692 JJ Annotated Anodyne COc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCCc1ccccn1 ZINC000103231873 JJ Annotated Anodyne CCOc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCc1ccccn1 ZINC000103231883 JJ Annotated Anodyne COc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCc1ccccn1 ZINC000103231885 JJ Annotated Anodyne CCN(CC)CCNc1ccc2nc3c4ccccc4c(=O)n(CCc4ccc(OC)cc4)c3n2c1 ZINC000103232349 JJ Annotated Bother CC1=C2C[C@@H](OC(=O)Nc3ccccc3)C=C3C(=O)OC[C@]32C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000103232789 JJ Annotated Anodyne CC1=C2C[C@@H](OC(=O)Nc3ccccc3)C[C@H]3C(=O)OC[C@@]23C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000103232808 JJ Annotated Anodyne OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000103233312 JJ Annotated Anodyne COc1cc(C(=O)c2cc3cc(NC(=O)CBr)cc(OC)c3s2)cc(OC)c1OC ZINC000103233941 JJ Annotated Reactive COc1cc(CNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c(O)cc2O)cc(OC)c1OC ZINC000103234405 JJ Annotated Anodyne COC(=O)C[C@@]1(C)[C@H]2C(=O)C[C@@H]3C(=O)C=C(C)C[C@H]3[C@]2(C)C=C2N3C[C@H]4C[C@H](C)C[C@]3(CC[C@]21C)O4 ZINC000103235158 JJ Annotated Mild COc1cc(F)c(S(=O)(=O)Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)c(C(F)(F)F)c1 ZINC000103235440 JJ Annotated Anodyne C=CCc1cc(OC)c(O[C@H](C)[C@H](OC(C)=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000103237808 JJ Annotated Mild C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCCC(=O)O)C3=O ZINC000103237837 JJ Annotated Anodyne Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)s1 ZINC000103238658 JJ Annotated Reactive Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccccc1[N+](=O)[O-])NC(N)=N2 ZINC000103238807 JJ Annotated Bother Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccccc1[N+](=O)[O-])NC(N)=N2 ZINC000103238809 JJ Annotated Bother CC(C)(C)C(=O)Oc1cn(-c2ccccc2)c(CSc2nc3cc(C(=O)O)ccc3o2)cc1=O ZINC000103240472 JJ Annotated Anodyne C#CCOCCSc1nc2c(c(=O)n1CC=C)C(C)(C)Cc1cc(C(=O)c3ccccc3)ccc1-2 ZINC000103240808 JJ Annotated Mild C#CCOCCSc1nc2c(c(=O)n1CC=C)C(C)(C)Cc1cc(OCCC3(C)N=N3)ccc1-2 ZINC000103240813 JJ Annotated Mild O=C(Nc1ccc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1)[C@@H]1C[C@H]1c1cccnc1 ZINC000103241057 JJ Annotated Anodyne CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2cccc(F)c2)c1 ZINC000103242661 JJ Annotated Mild CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccc(F)cc2)c1 ZINC000103242663 JJ Annotated Mild CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccccc2C)c1 ZINC000103242665 JJ Annotated Mild CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccc(C)cc2)c1 ZINC000103242670 JJ Annotated Mild CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccccc2F)c1 ZINC000103242682 JJ Annotated Mild NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 ZINC000103243102 JJ Annotated Anodyne NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 ZINC000103243106 JJ Annotated Anodyne COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cccnc3)nc2)c2ccccc12 ZINC000103245365 JJ Annotated Anodyne Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)NC(=O)Nc1nc2c(Cl)cccc2s1 ZINC000103246324 JJ Annotated Anodyne Cc1nc2cc(Cl)ccc2c(=O)n1C(=S)NC(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000103246328 JJ Annotated Anodyne C=C(C(=O)OCc1cn(Cc2cccc(Cl)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103246816 JJ Annotated Mild C=C(C(=O)OCc1cn(Cc2ccc(Cl)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248161 JJ Annotated Mild C=C(C(=O)OCc1cn(Cc2ccccc2Cl)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248224 JJ Annotated Mild c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)nc3)[nH]c2cc1C1=NCCCN1 ZINC000103251404 JJ Annotated Anodyne c1cc2cc(CCCCc3cc4ccc(C5=NCCCN5)cc4[nH]3)[nH]c2cc1C1=NCCCN1 ZINC000103251414 JJ Annotated Anodyne Fc1c(-c2ccc(-c3[nH]c4cc(C5=NCCN5)ccc4c3F)cc2)[nH]c2cc(C3=NCCN3)ccc12 ZINC000103251416 JJ Annotated Anodyne CC(=O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1 ZINC000103252928 JJ Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](O)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000103257625 JJ Annotated Anodyne COc1cccc(C[C@@]2(O)C(c3cc(Cl)ccc3OC)=C(Br)C(=O)N2CC(C)C)c1 ZINC000103259338 JJ Annotated Anodyne COc1cccc(C[C@]2(O)C(c3cc(Cl)ccc3OC)=C(Br)C(=O)N2CC(C)C)c1 ZINC000103259340 JJ Annotated Anodyne Cc1cc(-c2nnc(NCC3OCCO3)o2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 ZINC000103259514 JJ Annotated Anodyne Cc1cc(-c2nnc(NCC3OCCO3)o2)nc2c(C(C)(C)C)cc(NCC(F)(F)F)cc12 ZINC000103259516 JJ Annotated Anodyne Cc1cc(-c2nnc(N[C@@H]3C[C@H](O)C3)o2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 ZINC000103259525 JJ Annotated Anodyne Cc1cc(-c2nnc(N[C@H]3C[C@H](O)C3)o2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 ZINC000103259527 JJ Annotated Anodyne Nc1nn(Cc2cn(-c3cccc(Cl)c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261109 JJ Annotated Anodyne CN(C)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)cc1 ZINC000103262562 JJ Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@@H](N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2=O)CC1 ZINC000103263394 JJ Annotated Anodyne COc1cc(OC)c(/C=C2\SC(=O)N([C@H](C(=O)C3CC3)c3ccccc3F)C2=O)c(OC)c1 ZINC000103264242 JJ Annotated Anodyne COc1cc(OC)c(/C=C2\SC(=O)N([C@@H](C(=O)C3CC3)c3ccccc3F)C2=O)c(OC)c1 ZINC000103264243 JJ Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ccsc2Cl)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264352 JJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4ncc(F)cc34)c2=O)c1 ZINC000103265111 JJ Annotated Mild N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4cncc(F)c34)c2=O)c1 ZINC000103265114 JJ Annotated Mild CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265325 JJ Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ccc(Cl)cc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265412 JJ Annotated Anodyne O=C1CSC(=S)N1[C@@H](Cc1ccccc1)c1nnc(-c2cccc(Br)c2)o1 ZINC000103265675 JJ Annotated Clean COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4c(C)cccc4s3)cc2)c1O ZINC000103266493 JJ Annotated Clean COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1O ZINC000103266562 JJ Annotated Clean COc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)c3nnc(N(C)C)s3)[nH]c2c1 ZINC000103266722 JJ Annotated Anodyne C[C@](Br)(CBr)Cn1cc(Br)c(=O)c2ccc(Cl)cc21 ZINC000103266911 JJ Annotated Reactive C[C@@](Br)(CBr)Cn1cc(Br)c(=O)c2ccc(Cl)cc21 ZINC000103266913 JJ Annotated Reactive CCCSCC(=O)N1N=C(C)C[C@@H]1c1cc(Br)cc(Br)c1O ZINC000103267759 JJ Annotated Clean CC1(C)O[C@H]2CC[C@@](C)(O)[C@@H](CC[C@@H]3C(CO)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)[C@]2(C)CC[C@@H]1O ZINC000103268143 JJ Annotated Anodyne CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@H]2C[C@@H](O)[C@@]1(C)O ZINC000103268147 JJ Annotated Anodyne O=S(=O)(Nc1ccc(C2CCNCC2)cc1)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000103268207 JJ Annotated Clean COc1c(C(C)(C)C)cc(-c2ccc[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12 ZINC000103268753 JJ Annotated Anodyne Fc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(C(F)(F)F)nc5)no4)cc-3n2)c1F ZINC000103268792 JJ Annotated Anodyne CC1(C)C[C@H](Nc2ccc(I)cc2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000103269121 JJ Annotated Mild CC1(C)C[C@@H](Nc2ccc(I)cc2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000103269123 JJ Annotated Mild COc1ccc(N[C@H](c2coc3ccccc3c2=O)c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000103269340 JJ Annotated Anodyne COc1ccc(N[C@@H](c2coc3ccccc3c2=O)c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000103269342 JJ Annotated Anodyne COc1cc(N[C@@H](c2coc3ccccc3c2=O)c2nnnn2C2CCCCC2)cc(OC)c1OC ZINC000103269344 JJ Annotated Anodyne COc1cc(N[C@H](c2coc3ccccc3c2=O)c2nnnn2C2CCCCC2)cc(OC)c1OC ZINC000103269346 JJ Annotated Anodyne Cc1cc(F)c2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2c1 ZINC000103270444 JJ Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000103270485 JJ Annotated Mild COc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000103270498 JJ Annotated Mild CCCS(=O)(=O)N1CCC(c2ccccc2)([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000103271446 JJ Annotated Anodyne O=c1cc(-n2cc(COc3ccc(C(F)(F)F)cc3)nn2)c2cc(Br)ccc2o1 ZINC000103271628 JJ Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3c(c2)OC[C@H](COCc2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000103271786 JJ Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccc3c(c2)OC[C@H](COCc2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000103271790 JJ Annotated Anodyne O=C1c2cc(NCCN3CCOCC3)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 ZINC000103273308 JJ Annotated Anodyne COc1ccccc1/C=C/C(=O)c1ccc(-n2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 ZINC000103274763 JJ Annotated Mild Cc1nn(C)cc1-c1nc2c(Oc3ccc(C(=O)Nc4ccncc4)cc3)c(Cl)cnc2[nH]1 ZINC000103275405 JJ Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4ccccc4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103275957 JJ Annotated Anodyne C[C@]1(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s2)CC1(Cl)Cl ZINC000103276341 JJ Annotated Mild C[C@@]1(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s2)CC1(Cl)Cl ZINC000103276343 JJ Annotated Mild CC(C)(C)C(Br)(Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000103277610 JJ Annotated Anodyne COc1ccc(CN(CCc2ccc(Br)cc2)CC(=O)OC(C)(C)C)cc1O ZINC000103278919 JJ Annotated Anodyne CCOC(=O)CCCN(CCc1ccc(Br)cc1)Cc1ccc(OC)c(O)c1 ZINC000103278922 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(C)cc3)N(C(C)=O)[C@@H](c3ccc(C)cc3)[C@H]2C)S1 ZINC000103280144 JJ Annotated Anodyne O=[N+]([O-])c1ccc(Br)c(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])n1 ZINC000103280641 JJ Annotated Bother COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1COC(C)=O ZINC000103283090 JJ Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1COC(C)=O ZINC000103283092 JJ Annotated Anodyne COC(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000103284039 JJ Annotated Bother COC(=O)c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 ZINC000103284570 JJ Annotated Bother COc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\NC(=O)c2ccc(O)cc2)c(OC)c1 ZINC000103284867 JJ Annotated Reactive Cc1cc(OC(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)C ZINC000103286685 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 ZINC000103286920 JJ Annotated Reactive COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 ZINC000103286922 JJ Annotated Reactive CCCCCC(=O)N(CCOc1ccc(CCOCC)cc1C)C(=O)c1c(Cl)c(C)nn1C ZINC000103287075 JJ Annotated Anodyne C/C(=N\n1c(N)c(C#N)c(-c2ccc(F)cc2)c(C#N)c1=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291501 JJ Annotated Mild CC(=O)N(C(C)=O)C(=S)Sc1nc(Nc2cccc(C)c2)nc(Nc2cccc(C)c2)n1 ZINC000103292538 JJ Annotated Anodyne O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1nnc(Nc2cc(F)c(F)cc2F)o1 ZINC000103298295 JJ Annotated Anodyne O=C(Nc1ccc(O[C@@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1nnc(Nc2cc(F)c(F)cc2F)o1 ZINC000103298297 JJ Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1/C=N\c1nccs1 ZINC000103298591 JJ Annotated Mild C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1/C=N\c1nccs1 ZINC000103298594 JJ Annotated Mild C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1CNc1nccs1 ZINC000103298614 JJ Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1CNc1nccs1 ZINC000103298619 JJ Annotated Anodyne CC(C)Sc1sc(C(=O)NCCSCC(=O)O)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301055 JJ Annotated Mild CSCCN(CC(=O)O)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000103301059 JJ Annotated Reactive Fc1ccc([C@@H]2[C@@H](Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)CN2C2CC2)cc1F ZINC000103302893 JJ Annotated Anodyne C[C@@](F)(COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103302912 JJ Annotated Anodyne C[C@](F)(COc1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccc(F)c(F)c1 ZINC000103302915 JJ Annotated Anodyne Fc1ccc(CCOc2cnc(Cl)c3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F ZINC000103302949 JJ Annotated Anodyne O=C(NCc1cc(Cl)ccc1Cl)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303394 JJ Annotated Anodyne Fc1ccc([C@H]2[C@@H](Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)CN2C2CC2)cc1F ZINC000103303416 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)OCC)C(O)=C2[C@H]1c1ccccn1 ZINC000103351288 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3cccc(OC)c3)[C@H](C(=O)OCC)C(O)=C2[C@H]1c1ccccn1 ZINC000103351290 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3ccccc3OC)[C@@H](C(=O)OCC)C(O)=C2[C@H]1c1ccccn1 ZINC000103351341 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3ccccc3OC)[C@H](C(=O)OCC)C(O)=C2[C@H]1c1ccccn1 ZINC000103351344 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@@H](C(=O)OCC)C(O)=C2[C@H]1c1ccccn1 ZINC000103351432 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@H](C(=O)OCC)C(O)=C2[C@H]1c1ccccn1 ZINC000103351434 JJ Annotated Anodyne C[C@@H]1[C@H]2CC[C@@H]3C4=C5CCC[C@]6(CCNC(N)=N6)CSSCC[C@@](C)([C@@H]3C2)[C@]41CC5=O ZINC000103525224 JJ Annotated Reactive in-vitro biogenic COc1ccc(C(=O)NC(c2c(C)nn(-c3ccccc3)c2O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000103528982 JJ Annotated Anodyne O=c1[nH]c(=O)n(Cc2ccccc2)c2c1[C@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103529202 JJ Annotated Anodyne O=c1[nH]c(=O)n(Cc2ccccc2)c2c1[C@@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000103529206 JJ Annotated Anodyne C/C(=N\CCc1ccccn1)c1c(C)nn(-c2ccc(Br)cc2Br)c1O ZINC000103530251 JJ Annotated Mild COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCCN(C)C)nc(O)c21 ZINC000103531616 JJ Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCCN(C)C)nc(O)c21 ZINC000103531622 JJ Annotated Anodyne CCC[C@@H]1c2[cH-]cnc2C=C(CNc2[cH-]ccn2)[C@@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 ZINC000103531632 JJ Annotated Anodyne in-vitro biogenic CC1(C)CC2=Nc3nc(SCCN4CCOCC4)nc(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000103532272 JJ Annotated Anodyne CC1(C)CC2=Nc3nc(SCCN4CCOCC4)nc(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000103532275 JJ Annotated Anodyne COc1ccc(CO/C(O)=C2\C(C)=Nc3nnnn3[C@@H]2c2cc(Cl)ccc2OC(F)F)cc1 ZINC000103532465 JJ Annotated Anodyne COc1ccc(CO/C(O)=C2\C(C)=Nc3nnnn3[C@H]2c2cc(Cl)ccc2OC(F)F)cc1 ZINC000103532468 JJ Annotated Anodyne COc1c(O)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCC1(O)CCCC1 ZINC000103533334 JJ Annotated Anodyne in-vitro biogenic COc1ccc(CC/N=C/C2=C(O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1OC ZINC000103536960 JJ Annotated Mild COc1cccc(C/N=C/C2=C(O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1 ZINC000103537058 JJ Annotated Mild COc1ccc(C/N=C/C2=C(O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 ZINC000103537091 JJ Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)NCc1ccccc1Cl ZINC000103538120 JJ Annotated Anodyne COCC1=Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2OC)/C1=C(/O)OC ZINC000103538882 JJ Annotated Anodyne COCC1=Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2OC)/C1=C(/O)OC ZINC000103538887 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc(OC)c1O ZINC000103539674 JJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc(OC)c1O ZINC000103539677 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)ccc1OCc1ccccc1 ZINC000103539711 JJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)ccc1OCc1ccccc1 ZINC000103539713 JJ Annotated Anodyne CC(C)(C)c1c/c(=N\C(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(CC(N)=O)c2)[nH]1 ZINC000103540250 JJ Annotated Anodyne CC(C)(C)c1c/c(=N/C(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(CC(N)=O)c2)[nH]1 ZINC000103540258 JJ Annotated Anodyne COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2cccc(OC)c2OC)C2=C(O)CCCC2=N3)c1 ZINC000103541945 JJ Annotated Anodyne COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2cccc(OC)c2OC)C2=C(O)CCCC2=N3)c1 ZINC000103541948 JJ Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)c(Br)cc1O ZINC000103542168 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)c(Br)cc1O ZINC000103542172 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000103543929 JJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Br)c1O ZINC000103543935 JJ Annotated Anodyne CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2OC)C1=O ZINC000103559026 JJ Annotated Mild in-vitro biogenic CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2/C(=C\C=C3C[C@@H](O)C(OCCO)[C@H](O)C3)CCC[C@]12C ZINC000103559637 JJ Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000103559699 JJ Annotated Mild in-vitro biogenic CC[C@H](C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)[C@H](C)CC)c2O)C1=O ZINC000103568112 JJ Annotated Mild in-vitro biogenic CCCCC[C@@H]1C[C@H]2[C@H](NCCNC)[C@@H]3C=C[C@@]45[C@@H](O)[C@@H]6C=C[C@@H]7C[C@]6(C)C[C@](O)(C7)[C@]4(C3)C[C@@]25C1 ZINC000103576327 JJ Annotated Anodyne in-vitro biogenic COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1 ZINC000103579456 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1 ZINC000103579461 JJ Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1/N=N/c1cccc(-c2cccc(-n3cnnn3)c2)c1O ZINC000103590814 JJ Annotated Clean investigational Nc1c2cnnc-2nc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 ZINC000103617782 JJ Annotated Anodyne Cc1cc(-n2c(SCC(=O)NCc3cccc(Cl)c3)nc3nnc(C)c-3c2N)ccc1Cl ZINC000103618013 JJ Annotated Anodyne COc1cc([C@H]2CC3=Nc4[nH]nc(O)c4[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc(OC)c1OC ZINC000103627501 JJ Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1/C(=C(\O)OCc2ccccc2)C(C)=Nc2nnnn21 ZINC000103633718 JJ Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OCc2ccccc2)C(C)=Nc2nnnn21 ZINC000103633724 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103637069 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103637073 JJ Annotated Mild CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(Br)ccc2F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103646622 JJ Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc(Br)ccc2F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103646626 JJ Annotated Anodyne CC1(C)CC2=Nc3c(c(O)nc(=O)n3Cc3ccccc3)[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 ZINC000103663559 JJ Annotated Anodyne CC1(C)CC2=Nc3c(c(O)nc(=O)n3Cc3ccccc3)[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 ZINC000103663564 JJ Annotated Anodyne CCOc1ccc(-n2c(SC/C(O)=N/c3ccccc3OCC)nc3nncc-3c2O)cc1 ZINC000103671725 JJ Annotated Mild Cc1nc2nc(NCc3ccccc3)nn2c(O)c1CC/C(O)=N/c1cccc2ccccc12 ZINC000103702819 JJ Annotated Mild Cc1nc2nc(NCc3ccccc3)nn2c(O)c1CC/C(O)=N/c1ccc2ccccc2c1 ZINC000103702873 JJ Annotated Mild Cc1nc2nc(NCc3cccs3)nn2c(O)c1CC/C(O)=N/c1ccc2ccccc2c1 ZINC000103703101 JJ Annotated Mild Cc1cc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2c2ccc(Cl)cc2)no1 ZINC000103767264 JJ Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103867530 JJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103867536 JJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103867956 JJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000103867959 JJ Annotated Mild CCCCN(CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000103868507 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000103868513 JJ Annotated Anodyne CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000103871377 JJ Annotated Mild CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c(C)c1 ZINC000103871382 JJ Annotated Mild CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccccc1OC)N=C(C)/C(=C(/O)OCC)[C@H]2c1cccnc1 ZINC000103875931 JJ Annotated Mild CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccccc1OC)N=C(C)/C(=C(/O)OCC)[C@H]2c1cccnc1 ZINC000103875941 JJ Annotated Mild COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103886282 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103886287 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000103886291 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000103886296 JJ Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)cc(Br)c1OC ZINC000103887384 JJ Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)cc(Br)c1OC ZINC000103887390 JJ Annotated Anodyne CCc1ccc(-n2c(SCC(=O)c3ccc(Br)cc3)nc3nncc-3c2O)cc1 ZINC000103903967 JJ Annotated Anodyne O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccc(Br)cc1 ZINC000103916737 JJ Annotated Mild O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccc(Br)cc1 ZINC000103916742 JJ Annotated Mild CCOC(=O)c1c(NC(=O)C2=CC3=N[C@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000103918367 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC3=N[C@@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000103918371 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC3=N[C@H](c4cccs4)C[C@@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000103918375 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC3=N[C@@H](c4cccs4)C[C@@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000103918378 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000103935008 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000103935009 JJ Annotated Mild O=C1[C@H]2[C@@H](C(=O)N1c1ccc(OCc3ccccc3)cc1)[C@@H]1c3ccccc3[C@@H]2[C@H]2C=CC=CN21 ZINC000103940678 JJ Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccccc3)cc1)[C@@H]1c3ccccc3[C@@H]2[C@H]2C=CC=CN21 ZINC000103940684 JJ Annotated Anodyne CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000103950898 JJ Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000103950902 JJ Annotated Reactive COc1ccc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccc(Cl)cc2)c(OC)c1 ZINC000103951634 JJ Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000103951773 JJ Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000103952441 JJ Annotated Anodyne CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000103960521 JJ Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000103960524 JJ Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000103961214 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000103961222 JJ Annotated Anodyne COc1ccc(CC/N=C(\O)c2cccc(-n3c(S)nc4cc(Cl)ccc4c3=O)c2)cc1OC ZINC000103964491 JJ Annotated Anodyne COc1ccc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccc(Cl)cc2)cc1OC ZINC000103965186 JJ Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)c2ccc(Br)cc2)nc2nncc-2c1O ZINC000103968633 JJ Annotated Anodyne C=CCN(C(=O)CSc1nc2nncc-2c(O)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000103971922 JJ Annotated Mild C=CCN(C(=O)CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)c1ccccc1 ZINC000103976148 JJ Annotated Mild COc1cc([C@H]2C/C(=C3/C(=O)N=C(C)C=C3C)NN2c2ccccc2F)cc(OC)c1OC ZINC000103991053 JJ Annotated Anodyne COc1cc([C@@H]2C/C(=C3/C(=O)N=C(C)C=C3C)NN2c2ccccc2F)cc(OC)c1OC ZINC000103991058 JJ Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103992797 JJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103992802 JJ Annotated Mild Cc1cc(OCc2ccccc2)ccc1/C(O)=C1/C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000103993742 JJ Annotated Mild Cc1cc(OCc2ccccc2)ccc1/C(O)=C1/C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000103993746 JJ Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000103994000 JJ Annotated Bother COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000103994004 JJ Annotated Bother CC1=NC2=C(C(=O)CCC2)[C@@H](c2coc3ccc(C)cc3c2=O)/C1=C(\O)OCCOC(C)C ZINC000103997636 JJ Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@H](c2coc3ccc(C)cc3c2=O)/C1=C(\O)OCCOC(C)C ZINC000103997639 JJ Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cc(OC)c1OC ZINC000104004097 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cc(OC)c1OC ZINC000104004100 JJ Annotated Anodyne COc1cccc(N2C(SCC(=O)N3CCc4ccccc43)=NN/C2=C2/C=Nc3ccccc32)c1 ZINC000104006382 JJ Annotated Anodyne CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2OCC(=O)O)N(c2ccc(C)cc2)N1 ZINC000104006964 JJ Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)c(OC)c1 ZINC000104007874 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)c(OC)c1 ZINC000104007878 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)c(OC)c1 ZINC000104007884 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)c(OC)c1 ZINC000104007886 JJ Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104008926 JJ Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104008933 JJ Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000104008939 JJ Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000104008943 JJ Annotated Mild CCOC(=O)c1c(NC(=O)C2=CC3=N[C@H](c4ccccc4)C[C@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000104013446 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC3=N[C@@H](c4ccccc4)C[C@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000104013451 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC3=N[C@H](c4ccccc4)C[C@@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000104013456 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC3=N[C@@H](c4ccccc4)C[C@@H](C(F)(F)F)N3N2)sc(C)c1C ZINC000104013462 JJ Annotated Anodyne CC1=C(Oc2ccc(Cl)cc2)/C(=C2/C=CC(OCc3cnn(-c4ccccc4)c3)=CC2=O)NN1 ZINC000104015167 JJ Annotated Mild CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000104038838 JJ Annotated Bother CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000104038844 JJ Annotated Bother O=C(NCC12CC3CC(CC(C3)C1)C2)C1=C(Cl)C2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 ZINC000104046133 JJ Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=C(Cl)C2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 ZINC000104046139 JJ Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=C(Cl)C2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 ZINC000104046147 JJ Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)C1=C(Cl)C2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 ZINC000104046151 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 ZINC000104047413 JJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 ZINC000104047417 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000104047422 JJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000104047429 JJ Annotated Anodyne O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2cccnc2)cc1 ZINC000104056420 JJ Annotated Bother O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2cccnc2)cc1 ZINC000104056425 JJ Annotated Bother O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2ccncc2)cc1 ZINC000104056446 JJ Annotated Bother O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2ccncc2)cc1 ZINC000104056449 JJ Annotated Bother CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(C(=O)O)cc3)nn2[C@H]1c1ccc(F)cc1 ZINC000104060355 JJ Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(C(=O)O)cc3)nn2[C@@H]1c1ccc(F)cc1 ZINC000104060361 JJ Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N3)cc1 ZINC000104060393 JJ Annotated Bother O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N3)cc1 ZINC000104060399 JJ Annotated Bother COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000104060491 JJ Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000104060497 JJ Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000104060502 JJ Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000104060508 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104071461 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104071466 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000104075627 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000104075630 JJ Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1OC ZINC000104075657 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1OC ZINC000104075660 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1OC ZINC000104075664 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1OC ZINC000104075666 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000104076009 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000104076011 JJ Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Br)c1O ZINC000104082899 JJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Br)c1O ZINC000104082902 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Br)c1O ZINC000104082907 JJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Br)c1O ZINC000104082909 JJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(O)CCCC2=N1 ZINC000104082941 JJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(O)CCCC2=N1 ZINC000104082947 JJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(O)CCCC2=N1 ZINC000104082952 JJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(O)CCCC2=N1 ZINC000104082955 JJ Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104089370 JJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000104089374 JJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OC)c(O)cc1Br ZINC000104093102 JJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(OC)c(O)cc1Br ZINC000104093107 JJ Annotated Mild COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000104108283 JJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000104108290 JJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000104108294 JJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000104108297 JJ Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc(Cl)c1O ZINC000104111987 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)cc(Cl)c1O ZINC000104111993 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104112424 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104112428 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104112435 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000104112441 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1coc2ccc(C)cc2c1=O ZINC000104113718 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1coc2ccc(C)cc2c1=O ZINC000104113723 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1coc2ccc(C)cc2c1=O ZINC000104113728 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1coc2ccc(C)cc2c1=O ZINC000104113732 JJ Annotated Mild CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000104116081 JJ Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000104116088 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2c(O)c(C)c3c4c2[C@H](C)CC[C@H]4[C@H](C)C[C@@H]3C=C(C)C)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000104159790 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266390 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266394 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266399 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104266404 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267776 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267781 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267786 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267790 JJ Annotated Anodyne C[S@](=O)(=N/C=C(/C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000104273236 JJ Annotated Reactive NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000104397044 JJ Annotated Bother O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)N[C@H](c1ccccn1)C(F)(F)F ZINC000104487529 JJ Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000104489835 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000104489844 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000104492915 JJ Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000104523184 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000104523195 JJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104523256 JJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104523261 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104527296 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104527301 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104527304 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104527309 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104527356 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104527361 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104527364 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104527369 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000104554158 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000104554166 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000104554172 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000104554180 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104561823 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104561829 JJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104561855 JJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104561859 JJ Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104561863 JJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104561869 JJ Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000104578611 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000104578615 JJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104578651 JJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104578654 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104632725 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104632729 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104632735 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104632743 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104639041 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104639047 JJ Annotated Anodyne O=C(O)c1cccc(N2C(=O)C(O)=C(c3ccccc3)[C@@H]2C(=O)c2ccc(Br)cc2)c1 ZINC000104650623 JJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(C)nc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000104691371 JJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(C)nc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000104691375 JJ Annotated Anodyne CC(C)=CC[C@@]12C[C@@H]3[C@@H](O)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000104691796 JJ Annotated Anodyne CC(C)=CC[C@]12C[C@@H]3[C@@H](O)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000104691800 JJ Annotated Anodyne CC(C)=CC[C@]12C[C@H]3[C@@H](O)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000104691805 JJ Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1/N=C/c1c(C)nn(-c2ccccc2)c1O ZINC000104693013 JJ Annotated Mild Cc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1CN1C(=O)c2ccccc2C1=O ZINC000104693202 JJ Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc(OC)c1OC ZINC000104701056 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc(OC)c1OC ZINC000104701064 JJ Annotated Anodyne Cc1nn(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(O)c1/C=N/c1ccc(S(N)(=O)=O)cc1 ZINC000104701213 JJ Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000104842676 JJ Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175303 JJ Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175308 JJ Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175671 JJ Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175676 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C1 ZINC000105179392 JJ Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C1 ZINC000105179398 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3F)n2)C1 ZINC000105179405 JJ Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105184553 JJ Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105184560 JJ Annotated Mild CC(C)(C)OC(=O)N1N=N[C@H]2[C@@H]1[C@@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@@H]2O1 ZINC000105494463 JJ Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Br)C(=O)[C@]3(C)OC(=O)[C@@H](C(C)=O)[C@@H]3C2=CO1 ZINC000105578872 JJ Annotated Mild O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000108670011 JJ Annotated Anodyne O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000108670015 JJ Annotated Anodyne O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000108670019 JJ Annotated Anodyne O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000108670022 JJ Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(O)c1[C@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000110715515 JJ Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(O)c1[C@@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000110715520 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)[C@@H]1CCCN1CC2 ZINC000113109266 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)[C@H]1CCCN1CC2 ZINC000113109268 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CN1CCC[C@@H]1C2 ZINC000113109445 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CN1CCC[C@H]1C2 ZINC000113109449 JJ Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CCCN1C3 ZINC000113189439 JJ Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CCCN1C3 ZINC000113189441 JJ Annotated Anodyne NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12 ZINC000113198251 JJ Annotated Anodyne in-vitro CN(C)CCNC(=O)c1ccc2[nH]c3c(C(N)=O)cc(-c4ccc(Cl)c(Cl)c4)cc3c2c1 ZINC000113210055 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113219045 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)[C@H]1CC[C@@H](C2)N1 ZINC000113219047 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)[C@@H]1CC[C@H](C2)N1 ZINC000113219049 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)[C@H]1CC[C@H](C2)N1 ZINC000113219051 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113220499 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113220502 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 ZINC000113220505 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 ZINC000113220506 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113222541 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113222544 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 ZINC000113222547 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 ZINC000113222550 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113223194 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CC[C@H](C2)N1 ZINC000113223197 JJ Annotated Anodyne COc1cc2ncc3c(c2cc1CCc1ccsc1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113240781 JJ Annotated Anodyne COc1cc2ncc3c(c2cc1OCc1ccc(F)cc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C ZINC000113415378 JJ Annotated Anodyne CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCC#N ZINC000113477930 JJ Annotated Mild Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1C[C@H]1CCCO1 ZINC000113477952 JJ Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)C)cc(C(C)(C)C)n1C ZINC000113478009 JJ Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)C1CC1 ZINC000113478398 JJ Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)CC ZINC000113479288 JJ Annotated Mild NC(=O)c1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000113656395 JJ Annotated Anodyne NC(=O)c1cc(Br)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113659607 JJ Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N/Nc1cc(F)cc(-c2cccc(C(=O)O)c2)c1O ZINC000113746542 JJ Annotated Mild in-vivo CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1C1CCCCC1)C2=O ZINC000113768923 JJ Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@](C)(CCCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113820967 JJ Annotated Anodyne CC(C)(C)C#Cc1cc(N2C(=O)[C@@](C)(CCCO)OC[C@H]2C2CCCCC2)c(C(=O)O)s1 ZINC000113822225 JJ Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc(S(N)(=O)=O)cc5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000114037410 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2N)C1 ZINC000114097191 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccnc2[nH]ccc12 ZINC000114097284 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccnc2[nH]ccc12 ZINC000114097286 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2CCN3)C1 ZINC000114097399 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1CCN2 ZINC000114097917 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1CCN2 ZINC000114097918 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000114098015 JJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000114098017 JJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@@H](C)CNCc1cccc(O)c1 ZINC000114098749 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@H](C)CNCc1cccc(O)c1 ZINC000114098752 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000114098765 JJ Annotated Anodyne COc1ccccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114098970 JJ Annotated Anodyne COc1ccccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114098972 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC000114099103 JJ Annotated Clean CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000114099190 JJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000114099192 JJ Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc(F)c(N)c2)C1 ZINC000114099199 JJ Annotated Anodyne COc1c(N)cccc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099432 JJ Annotated Anodyne COc1c(N)cccc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000114099435 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc(O)c2)C1 ZINC000114099507 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2[nH]ncc12 ZINC000114099635 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2[nH]ncc12 ZINC000114099637 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1OCC2 ZINC000114099670 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1OCC2 ZINC000114099672 JJ Annotated Anodyne Cc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(F)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099676 JJ Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2[nH]ccc12 ZINC000114099684 JJ Annotated Anodyne COc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(F)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100063 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3[nH]ncc23)C1 ZINC000114100067 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2OCC3)C1 ZINC000114100158 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)O1 ZINC000114100329 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)O1 ZINC000114100332 JJ Annotated Anodyne CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)C1CN(Cc2ccccc2)C1 ZINC000114100462 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(N(C)C)c1 ZINC000114100505 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(N(C)C)c1 ZINC000114100507 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccc(F)c(N)c1 ZINC000114100540 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccc(F)c(N)c1 ZINC000114100542 JJ Annotated Anodyne CCOc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(F)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100565 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccnc3[nH]ccc23)C1 ZINC000114100657 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2c1OCO2 ZINC000114100685 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2c1OCO2 ZINC000114100687 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc(N)c2)C1 ZINC000114100705 JJ Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2cc[nH]c12 ZINC000114100831 JJ Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc2cc[nH]c12 ZINC000114100832 JJ Annotated Anodyne Cc1ccccc1CN1CCO[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100852 JJ Annotated Anodyne Cc1ccccc1CN1CCO[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100854 JJ Annotated Anodyne O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 ZINC000114156070 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ncc3n2C2CCC2)nc1)C(F)(F)F ZINC000114159392 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ncc(Cl)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000114159807 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCCC2)nc1)C(F)(F)F ZINC000114161154 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(Cl)nc3n2C2CCC2)nc1)C(F)(F)F ZINC000114161349 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F ZINC000114162000 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C4CC4)cnc3n2C2CCC2)nc1)C(F)(F)F ZINC000114172516 JJ Annotated Anodyne CC(C)(C)OC(=O)Cn1ccc2cc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)ccc21 ZINC000114336412 JJ Annotated Anodyne CC(C)(C)OC(=O)Cn1ccc2cc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)ccc21 ZINC000114336414 JJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@@H](NC(=O)C3CCCC3)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114338500 JJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@@H](NC(=O)C3CCCC3)C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114338502 JJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](NC(=O)C3CCCC3)C2)CC1 ZINC000114338504 JJ Annotated Anodyne N#CC1CCN(C(=O)N2C[C@H](NC(=O)C3CCCC3)C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114338506 JJ Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2nc(C(C)(C)C)cs2)c1 ZINC000114345080 JJ Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(Nc4nc5cc(C(F)(F)F)ccc5[nH]4)c3)ncnc12 ZINC000114345229 JJ Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000114346005 JJ Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000114346007 JJ Annotated Anodyne CC(C)c1csc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)n1 ZINC000114347880 JJ Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCC3)c3cccc(Nc4ccccn4)c3)ncnc12 ZINC000114348867 JJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCC3)c3cccc(Nc4ccccn4)c3)ncnc12 ZINC000114348869 JJ Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000114349314 JJ Annotated Anodyne CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000114349315 JJ Annotated Anodyne CCCCn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(F)ccc21 ZINC000114356826 JJ Annotated Anodyne CC(C)(C)Cn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(F)ccc21 ZINC000114357791 JJ Annotated Anodyne Cc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c1OCC[C@H]2C ZINC000114358261 JJ Annotated Anodyne Cc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc2c1OCC[C@@H]2C ZINC000114358265 JJ Annotated Anodyne COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cn(C(C)C)c2c1 ZINC000114358464 JJ Annotated Anodyne COc1ccc2c(c1)c(CN1CCC3(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O3)cn2C(C)C ZINC000114358588 JJ Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4c(-c5ccccc5)nc5ccccn45)CC3)OC2=O)cc1 ZINC000114366499 JJ Annotated Anodyne O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000114591920 JJ Annotated Anodyne N#Cc1cc(Oc2ccc(-c3cccc(CNCCN4CCNC4=O)n3)cc2)ccc1C(F)(F)F ZINC000114592096 JJ Annotated Anodyne NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1 ZINC000114592231 JJ Annotated Anodyne N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(CNCCN3CCNC3=O)n2)cc1 ZINC000114592267 JJ Annotated Anodyne O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1 ZINC000114592406 JJ Annotated Anodyne CC(C)(Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(=O)O ZINC000114709646 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc12 ZINC000114710538 JJ Annotated Mild O=C(O)C[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000114710758 JJ Annotated Anodyne O=C(O)C[C@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 ZINC000114710759 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CN4CCC(O)CC4)nc3)cc12 ZINC000114710818 JJ Annotated Anodyne CC(=O)N(C)C1CCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 ZINC000114710822 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4C(=O)CN(C)C4=O)cc3)cc12 ZINC000114710884 JJ Annotated Anodyne O=C(O)C1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1 ZINC000114711907 JJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@@H]2Cc3cccc4cccc2c34)c1=O ZINC000114712077 JJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2Cc3cccc4cccc2c34)c1=O ZINC000114712079 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCC(N(C)C)CC4)CC3)cc12 ZINC000114712147 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CN4C(=O)CN(C)C4=O)cc3)cc12 ZINC000114712530 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C(=O)O)c3)cc12 ZINC000114712710 JJ Annotated Anodyne COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1C(=O)N1CCN(C)CC1 ZINC000114713300 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N[C@@H]4CC[C@@H](O)CC4)nc3)cc12 ZINC000114714061 JJ Annotated Anodyne CNC1CCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 ZINC000114714406 JJ Annotated Anodyne CC(=O)N1CCCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 ZINC000114724102 JJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCCN(C)CC4)CC3)cc12 ZINC000114725253 JJ Annotated Anodyne C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(OC(F)F)c1)c1ccc(C(=O)O)cc1 ZINC000114767382 JJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1 ZINC000114803673 JJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)o1 ZINC000114813151 JJ Annotated Anodyne O=C(Nc1sc2c(c1C(=O)N1CCC1)C[C@H]1CC[C@H]2O1)c1c(F)cccc1C(F)(F)F ZINC000114862428 JJ Annotated Anodyne O=C(O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccc(F)cc23)cc1 ZINC000114926128 JJ Annotated Anodyne CC(C)CS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977168 JJ Annotated Anodyne CC(C)CS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977170 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CC(F)(F)C1)NCC2 ZINC000114978464 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CC(F)(F)C1)NCC2 ZINC000114978466 JJ Annotated Anodyne CCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978562 JJ Annotated Anodyne CCCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978563 JJ Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3cccc(F)c3)CCC1)NCC2)c1cccs1 ZINC000114980045 JJ Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(F)c3)CCC1)NCC2)c1cccs1 ZINC000114980047 JJ Annotated Anodyne CC(C)NS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981624 JJ Annotated Anodyne CC(C)NS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114981626 JJ Annotated Anodyne CCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114982993 JJ Annotated Anodyne CCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114982996 JJ Annotated Anodyne Cn1ccc(-c2ccc(C3(N4CC[C@](CC(C)(C)O)(c5ccccc5)OC4=O)CC3)cc2)cc1=O ZINC000114987735 JJ Annotated Anodyne Cn1ccc(-c2ccc(C3(N4CC[C@@](CC(C)(C)O)(c5ccccc5)OC4=O)CC3)cc2)cc1=O ZINC000114987736 JJ Annotated Anodyne CNC(=O)c1ccc2ccn(C3CCN(CCc4c(OC)ccc5c4OC(C)(C)CC5=O)CC3)c2c1 ZINC000011688835 JJ Annotated Anodyne COc1cccc(C[C@@H](C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)N(C)Cc2ccccn2)c1 ZINC000011785601 JJ Annotated Anodyne COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)N(C)Cc2ccccn2)c1 ZINC000011785602 JJ Annotated Anodyne COCC(=O)Nc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc2nc(-c3ccccc3)n(C)c12 ZINC000011786584 JJ Annotated Anodyne Cc1cc(C)cc(CN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)c1 ZINC000011788756 JJ Annotated Anodyne COc1ccc(F)c(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c1 ZINC000011790694 JJ Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1cccn1-c1ccccn1)CC2 ZINC000011791445 JJ Annotated Anodyne Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000011865620 JJ Annotated Anodyne COc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C(=O)c1ccccc1-n1cccn1)C2 ZINC000011872741 JJ Annotated Anodyne CCN(Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1cccc(-n3nc(C)cc3C)c1)CCO2 ZINC000011881366 JJ Annotated Anodyne Cc1ccc2[nH]c(SCC(=O)N3CCC4(CC3)C[C@@H]4C(=O)Nc3ccc(F)c(F)c3)nc2c1 ZINC000011881646 JJ Annotated Anodyne Cc1ccc2[nH]c(SCC(=O)N3CCC4(CC3)C[C@H]4C(=O)Nc3ccc(F)c(F)c3)nc2c1 ZINC000011881647 JJ Annotated Anodyne COc1ccc(-c2ccc(C(=O)NC[C@@H]3Cc4cccc(-c5nc(C)cnc5C)c4O3)o2)cc1 ZINC000011882414 JJ Annotated Anodyne COc1ccc(-c2ccc(C(=O)NC[C@H]3Cc4cccc(-c5nc(C)cnc5C)c4O3)o2)cc1 ZINC000011882415 JJ Annotated Anodyne Cc1nc2sccn2c1CN1CCOc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011970955 JJ Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(Cl)ccc1O)CC2 ZINC000011973499 JJ Annotated Clean CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011978237 JJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000011978243 JJ Annotated Anodyne COc1ccc(C2(C(=O)NC[C@@H]3Cc4cccc(-c5nc(C)cnc5C)c4O3)CCCC2)cc1 ZINC000011995239 JJ Annotated Anodyne COc1ccc(C2(C(=O)NC[C@H]3Cc4cccc(-c5nc(C)cnc5C)c4O3)CCCC2)cc1 ZINC000011995240 JJ Annotated Anodyne Cc1c(C(=O)N(C)Cc2cscn2)sc2ncnc(NC[C@H]3CCc4ccccc4O3)c12 ZINC000011995401 JJ Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CN(C1CCC1)CCC2 ZINC000115010905 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCCC2 ZINC000115015866 JJ Annotated Anodyne CC1(C)C[C@H](O)[C@]23[C@@H](O)O[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000115104668 JJ Annotated Anodyne OCCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115455199 JJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115455241 JJ Annotated Anodyne OCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455673 JJ Annotated Anodyne CCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456067 JJ Annotated Mild N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)c(F)cc3F)c(Cl)cn2)CC1 ZINC000115456078 JJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)cnc3C(F)(F)F)c(Cl)cn2)CC1 ZINC000115456155 JJ Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456601 JJ Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3F)c(Cl)cn2)CC1 ZINC000115456811 JJ Annotated Anodyne CN(C)[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457153 JJ Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457229 JJ Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(F)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457563 JJ Annotated Anodyne CO[C@H]1C[C@@H]2/C=C(C)\C=C\C=C/C(=O)N[C@H](c3ccccc3)C/C=C/CC[C@H](O)CC(=O)C2=C1O ZINC000115614564 JJ Annotated Mild CC[C@@H]1C[C@](O)(C(F)(F)F)[C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c21 ZINC000115687217 JJ Annotated Anodyne in-vitro Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C1CCC1 ZINC000115740049 JJ Annotated Anodyne COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)N(C)c2ccccc2)c1OC ZINC000116167048 JJ Annotated Anodyne O=C1OC[C@H](c2ccccc2Cl)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185445 JJ Annotated Anodyne O=C1OC[C@H](c2ccc(F)c(Cl)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116186273 JJ Annotated Anodyne O=C1OC[C@H](c2ccc(F)c(Cl)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116193759 JJ Annotated Anodyne O=C1OC[C@@H](c2ccc(Cl)cc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116195113 JJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000116589152 JJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000116589154 JJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000116589156 JJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000116589159 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000116589573 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000116589576 JJ Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@H](C)C1=O ZINC000116614805 JJ Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@H](C)C1=O ZINC000116614807 JJ Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)CN(C)C1=O ZINC000116619171 JJ Annotated Anodyne O=C(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2c1OCC1(CCOCC1)CO2 ZINC000116878917 JJ Annotated Anodyne N[C@@H]1CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CC[C@H]1F ZINC000116904101 JJ Annotated Anodyne CCO[C@@H]1C[C@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904235 JJ Annotated Anodyne N[C@H]1CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CC[C@@H]1F ZINC000116904256 JJ Annotated Anodyne N[C@H]1C[C@@H](CF)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904728 JJ Annotated Anodyne NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(OC(F)(F)F)cc3)nc2c1 ZINC000117133424 JJ Annotated Anodyne NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(/C=C/c3cccc(OC(F)(F)F)c3)nc2c1 ZINC000117152711 JJ Annotated Anodyne CC(C)(C)CS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117338527 JJ Annotated Anodyne CC(C)(C)CS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000117338531 JJ Annotated Anodyne Cn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(OCC(=O)N[C@H]3CCc4ccccc43)nc21 ZINC000117510018 JJ Annotated Anodyne Cn1nc(-c2cccc(F)c2)c2c(C(F)(F)F)cc(OCC(=O)N[C@H]3CCc4ccccc43)nc21 ZINC000117510038 JJ Annotated Anodyne COc1ccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1 ZINC000117511908 JJ Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1 ZINC000117511910 JJ Annotated Anodyne COc1ccc([C@H](C)NC(=O)COc2cc(C(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1 ZINC000117511943 JJ Annotated Anodyne COc1cccc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C(F)(F)F)c23)c1 ZINC000117511996 JJ Annotated Anodyne COc1cccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1 ZINC000117512528 JJ Annotated Anodyne COc1cccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1 ZINC000117512531 JJ Annotated Anodyne Cc1ccc([C@@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cn1 ZINC000117513285 JJ Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cn1 ZINC000117513288 JJ Annotated Anodyne COc1ccccc1-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C(F)(F)F)c12 ZINC000117513470 JJ Annotated Anodyne Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C(F)F)c2c(-c3cc(C)oc3C)nn(C)c2n1 ZINC000117513804 JJ Annotated Anodyne C[C@H](CNC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1)c1ccccc1 ZINC000117514418 JJ Annotated Anodyne Cc1csc2c(Nc3n[nH]c4c3CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)C4(C)C)ncnc12 ZINC000117601721 JJ Annotated Anodyne Cc1cc2c(Nc3n[nH]c4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1 ZINC000117602384 JJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000117665881 JJ Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)sc2ccncc21 ZINC000117676894 JJ Annotated Anodyne CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)O)sc2ncccc21 ZINC000117681149 JJ Annotated Anodyne CCc1nn(Cc2ccccc2)c2cccc(NC(=O)c3cnc4cc(OCCOC)ccn34)c12 ZINC000117882945 JJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5nnc(C)o5)ccn34)c12 ZINC000117886572 JJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cncnc5)ccn34)c12 ZINC000117889422 JJ Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5nncs5)ccn34)c12 ZINC000117895104 JJ Annotated Anodyne Cc1ccnc(-c2nc3ncccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118092072 JJ Annotated Anodyne Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093567 JJ Annotated Clean Cc1c(-c2cncc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093601 JJ Annotated Clean Cc1ccnc(-c2nc3cnccc3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118094407 JJ Annotated Anodyne Cc1nc2c(Cl)cccc2c(N2CC3(CCOCC3)c3ncc(N4CCOCC4)cc32)c1C ZINC000118097531 JJ Annotated Anodyne COc1ccc(F)c(F)c1-c1cc(C(=O)c2nc3cc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1 ZINC000118104646 JJ Annotated Anodyne CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(C)o3)c2)cn1 ZINC000118116836 JJ Annotated Anodyne COCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCc1cnccn1 ZINC000118244250 JJ Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCN2)s1 ZINC000118250617 JJ Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCN2)s1 ZINC000118252274 JJ Annotated Anodyne CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000118322956 JJ Annotated Anodyne CO[C@@](c1ccc(F)cc1)(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)c1ccccn1 ZINC000118363252 JJ Annotated Bother CO[C@](c1ccc(F)cc1)(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)c1ccccn1 ZINC000118363254 JJ Annotated Bother O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)C1(C(F)(F)F)CC1 ZINC000118394820 JJ Annotated Anodyne CC(C)Nc1nc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cs1 ZINC000118411189 JJ Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Cn2cc(Cl)c(CO)n2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000118632635 JJ Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(NC(=O)C(C)(C)C)cc4)c(=O)c3)CC2)nc1 ZINC000118656959 JJ Annotated Anodyne Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4ccc(C5CC5)cn4)CC3)C2)ncn1 ZINC000118894294 JJ Annotated Anodyne Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NC4CCC(F)(F)CC4)n3n1)CCCC2 ZINC000118907449 JJ Annotated Anodyne C=C1CC/C=C(\C)CC[C@@H]2C([C@H](C/C=C(\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000118910721 JJ Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000118914173 JJ Annotated Anodyne in-man endogenous CC(=O)[C@@]1(OC(=O)c2ccccc2)CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000118921668 JJ Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O ZINC000118922763 JJ Annotated Reactive C=C1C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O ZINC000118922765 JJ Annotated Reactive C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C ZINC000118932787 JJ Annotated Reactive C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C ZINC000118932789 JJ Annotated Reactive CC1=C(C)C(=O)O[C@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000118937424 JJ Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@H]([C@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000118937425 JJ Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000118937426 JJ Annotated Anodyne in-man endogenous CC(C)(O)[C@@H]1[C@@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@H]4[C@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]24C)[C@H]13 ZINC000118937499 JJ Annotated Anodyne in-man endogenous CC(C)(O)[C@H]1[C@@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@H]4[C@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]24C)[C@H]13 ZINC000118937500 JJ Annotated Anodyne in-man endogenous CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@H]4[C@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]24C)[C@H]13 ZINC000118937501 JJ Annotated Anodyne in-man endogenous CC(C)(O)[C@H]1[C@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@H]4[C@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]24C)[C@H]13 ZINC000118937502 JJ Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@H]([C@@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000119308870 JJ Annotated Anodyne in-man CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000119308984 JJ Annotated Anodyne in-man CC1=C(C)C(=O)O[C@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000119309115 JJ Annotated Anodyne in-man CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000119309226 JJ Annotated Anodyne in-man CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@H]13 ZINC000119316492 JJ Annotated Anodyne in-man CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]42C)[C@H]13 ZINC000119316610 JJ Annotated Anodyne in-man CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@H]13 ZINC000119316730 JJ Annotated Anodyne in-man CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C(=O)O2)[C@@H](O)C[C@@]2(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]42C)[C@H]13 ZINC000119316866 JJ Annotated Anodyne in-man Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000012023218 JJ Annotated Anodyne Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000012023226 JJ Annotated Anodyne Cc1ccc(CN2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)cc1C ZINC000012024335 JJ Annotated Anodyne Cc1cccc2c(Nc3ccc4c(c3)OCO4)nc(CN3CCC(N4CCCCC4)CC3)nc12 ZINC000012027155 JJ Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cccn1-c1ccccn1)CC2 ZINC000012031518 JJ Annotated Anodyne COc1ccc(C(=O)NC[C@@H]2Cc3cc(C)cc(-c4cc(C(C)=O)ccc4F)c3O2)c(OC)c1OC ZINC000012031865 JJ Annotated Anodyne COc1ccc(C(=O)NC[C@H]2Cc3cc(C)cc(-c4cc(C(C)=O)ccc4F)c3O2)c(OC)c1OC ZINC000012031868 JJ Annotated Anodyne CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1cccn1-c1cccnc1)CC2 ZINC000012031939 JJ Annotated Anodyne O=c1c(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)coc2ccccc12 ZINC000012047950 JJ Annotated Anodyne Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C2CC2)n1 ZINC000012049407 JJ Annotated Anodyne O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1 ZINC000012078036 JJ Annotated Anodyne COc1cc(-c2cc(C)c3cccc(OC)c3n2)cc2c1OCCN(C(=O)CCn1ccc(C)n1)C2 ZINC000012078236 JJ Annotated Anodyne Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000012078524 JJ Annotated Anodyne Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000012078526 JJ Annotated Anodyne Cc1ccnn1CC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1 ZINC000012078754 JJ Annotated Anodyne Cc1ccnn1CC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1 ZINC000012078756 JJ Annotated Anodyne Cc1c(C(=O)N2CCOc3ccc(Cl)cc3C2)sc2ncnc(NCCc3ccccn3)c12 ZINC000012122544 JJ Annotated Anodyne Cc1csc([C@@H](C)N(C)C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)n1 ZINC000012130219 JJ Annotated Anodyne Cc1csc([C@H](C)N(C)C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)n1 ZINC000012130226 JJ Annotated Anodyne CCN1CCC(N2CCC(n3c(Cc4ccccc4OC)nc4cc(F)ccc43)CC2)CC1 ZINC000012151107 JJ Annotated Anodyne Oc1cc(O)c2c(c1)C[C@@H]1c3cc(O)c(O)cc3[C@@H](c3ccc(O)c(O)c3)Cc3cc(O)cc-2c31 ZINC000012153342 JJ Annotated Clean in-vitro biogenic Oc1cc(O)c2c(c1)C[C@H]1c3cc(O)c(O)cc3[C@@H](c3ccc(O)c(O)c3)Cc3cc(O)cc-2c31 ZINC000012153343 JJ Annotated Clean Oc1cc(O)c2c(c1)C[C@@H]1c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)Cc3cc(O)cc-2c31 ZINC000012153344 JJ Annotated Clean CC(C)(C#N)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358402 JJ Annotated Mild CC(C)(C#N)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358403 JJ Annotated Mild O=C(OCc1ccccc1Br)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/O ZINC000012366787 JJ Annotated Mild C[S@@](=O)(=N/C=C(/C#N)C(=O)c1cccs1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000012367253 JJ Annotated Reactive C[C@@]1(C(=O)c2c(F)c(F)c(F)c(F)c2F)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)NC1CCCCC1 ZINC000012402077 JJ Annotated Anodyne O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012477134 JJ Annotated Bother O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012477140 JJ Annotated Bother O=C(NCCc1ccccc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000012478658 JJ Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000012479180 JJ Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000012479672 JJ Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000012482648 JJ Annotated Mild Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(C)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000012489769 JJ Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(C)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000012489776 JJ Annotated Anodyne OCCOCCn1c(CCNc2nc(-c3ccc(F)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012489951 JJ Annotated Anodyne Cc1csc(N2CCC[C@@H]2c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCOCCO)n1 ZINC000012489973 JJ Annotated Anodyne Cc1csc(N2CCC[C@H]2c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCOCCO)n1 ZINC000012489980 JJ Annotated Anodyne Cc1csc(N[C@H](C)c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCOCCO)n1 ZINC000012507295 JJ Annotated Anodyne Cc1csc(N[C@@H](C)c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCOCCO)n1 ZINC000012507297 JJ Annotated Anodyne Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@H]43)cc2)cc1 ZINC000012582835 JJ Annotated Anodyne O=C1COc2ccc(-c3cs/c(=N\c4ccc(OC(F)F)cc4)n3C[C@@H]3CCCO3)cc2N1 ZINC000012648903 JJ Annotated Anodyne O=C1COc2ccc(-c3cs/c(=N\c4ccc(OC(F)F)cc4)n3C[C@H]3CCCO3)cc2N1 ZINC000012648907 JJ Annotated Anodyne O=C(NCc1ccccc1)c1onc(CSc2ccccc2)c1C(=O)NCc1ccccc1 ZINC000012726156 JJ Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21CC(C)C ZINC000012726560 JJ Annotated Anodyne O=C(NCc1ccccc1)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCC1CC1 ZINC000012726670 JJ Annotated Anodyne CC(C)(C)OC(=O)C[C@]1(C#N)c2ccccc2C(Br)=CN1C(=O)c1ccccc1 ZINC000012726673 JJ Annotated Mild CC(C)(C)OC(=O)C[C@@]1(C#N)c2ccccc2C(Br)=CN1C(=O)c1ccccc1 ZINC000012726676 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000012727082 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000012727083 JJ Annotated Anodyne O=C(CN(Cc1ccco1)C(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000012929030 JJ Annotated Anodyne C[C@H](NC(=O)[C@](Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1 ZINC000012946783 JJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(Nc3ccc(C(=O)O)cc3)C(=O)c3ccccc32)c(C)c1 ZINC000013014506 JJ Annotated Mild COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013025433 JJ Annotated Anodyne COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013025435 JJ Annotated Anodyne CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)C1=O ZINC000013083032 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000013118554 JJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118574 JJ Annotated Anodyne O=C(C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000013118576 JJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118612 JJ Annotated Anodyne O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN/C=C1\C=Nc2ccccc21 ZINC000013119292 JJ Annotated Reactive Cc1ccc(CSc2nnc(SCC(=O)NN/C=C3\C=Nc4ccccc43)s2)cc1 ZINC000013119322 JJ Annotated Reactive CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013119341 JJ Annotated Reactive CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/C=C1\Nc3ccccc3C(=O)N1c1ccccc1)C=N2 ZINC000013120238 JJ Annotated Anodyne O=[N+]([O-])c1ccc(NN/C=C2\C=Nc3ccccc32)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000013123157 JJ Annotated Bother O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN/C=C1\C=Nc2ccccc21 ZINC000013123252 JJ Annotated Reactive CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2OCC(=O)O)N(c2ccc(C)cc2)N1 ZINC000013123338 JJ Annotated Mild O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000013125013 JJ Annotated Reactive CCCCNC(=S)N(C)/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000013133294 JJ Annotated Mild COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000013138417 JJ Annotated Mild COc1ccc(N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)c2cccnc2)cc1 ZINC000013138531 JJ Annotated Anodyne COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1 ZINC000013139353 JJ Annotated Mild COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1 ZINC000013139354 JJ Annotated Mild C[C@@H]1C[C@@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N23)C1 ZINC000013139784 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N23)C1 ZINC000013139786 JJ Annotated Anodyne Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000013140328 JJ Annotated Bother Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000013140329 JJ Annotated Bother C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Br)ccc2O)N[C@H]1c1cc(Br)ccc1O ZINC000013151435 JJ Annotated Clean Cc1ccc(C(=O)COC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1C ZINC000013153799 JJ Annotated Anodyne O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 ZINC000013194639 JJ Annotated Anodyne O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccccc2F)cc1 ZINC000013194641 JJ Annotated Anodyne O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000013217125 JJ Annotated Anodyne O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000013217126 JJ Annotated Anodyne Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)n1 ZINC000013238691 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000013286683 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000013286685 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000013286687 JJ Annotated Clean CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000013286689 JJ Annotated Clean COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000013304163 JJ Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCC(=O)N(CCCCCNC(=N)N)CCCNC(=O)C=C(C)C ZINC000013304244 JJ Annotated Anodyne Oc1cc(O)cc([C@@H]2[C@@H](c3ccc(O)cc3O)Cc3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2O)c1 ZINC000013309996 JJ Annotated Anodyne Oc1ccc(/C=C(\c2cc(O)cc(O)c2)[C@H](c2cc(O)cc(O)c2)[C@H](O)c2ccc(O)cc2)cc1 ZINC000013358788 JJ Annotated Anodyne Oc1cc(O)cc(C[C@@H](c2ccc(O)cc2O)c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)c1 ZINC000013359362 JJ Annotated Anodyne Oc1cc(O)cc(C[C@H](c2ccc(O)cc2O)c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)c1 ZINC000013359365 JJ Annotated Anodyne C=CC(C)(C)c1cc2cc(OC)c3c(c2oc1=O)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O3 ZINC000013370113 JJ Annotated Mild O[C@@]12CCCCCC[C@H]3CCN4CCC[C@@](O)(CCCCCC[C@H]5CCN(CCC1)[C@@H]2O5)[C@H]4O3 ZINC000013371917 JJ Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)c(CC=C(C)C)ccc2c1[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000013372487 JJ Annotated Mild COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C(=O)O)ccc3O)cc1)[N+](C)([O-])CC2 ZINC000013372704 JJ Annotated Bother COc1ccc(-c2cc3c(c(=O)o2)C[C@H]2[C@@](C)(CC[C@@]4(O)C(C)(C)C(=O)CC[C@]24C)O3)cc1 ZINC000013372727 JJ Annotated Anodyne in-vitro C=C(C)[C@H](O)Cc1c(-c2ccc(O)cc2O)oc2cc(OC)c(/C=C/C(C)C)c(O)c2c1=O ZINC000013373150 JJ Annotated Mild Oc1cc(O)cc(/C=C/c2cc([C@H](Cc3cc(O)cc(O)c3)c3ccc(O)cc3O)c(O)cc2O)c1 ZINC000013373201 JJ Annotated Anodyne Oc1cc(O)cc(/C=C/c2cc([C@@H](Cc3cc(O)cc(O)c3)c3ccc(O)cc3O)c(O)cc2O)c1 ZINC000013373202 JJ Annotated Anodyne COc1ccc(-c2coc3c(CCC(C)(C)O)c4c(c(O)c3c2=O)CCC(C)(C)O4)cc1OC ZINC000013374414 JJ Annotated Anodyne COc1ccc(-c2coc3c(CCC(C)(C)O)c4c(c(O)c3c2=O)CCC(C)(C)O4)c(OC)c1 ZINC000013374427 JJ Annotated Anodyne COc1c2c(c(C(=O)c3ccccc3)c3oc(=O)cc(-c4ccccc4)c13)O[C@@H](C(C)(C)O)C2 ZINC000013376314 JJ Annotated Anodyne COc1cc([C@H]2COc3cc(OC)c4c(c3[C@H]2OC(C)=O)CCc2cc(O)ccc2-4)ccc1O ZINC000013378523 JJ Annotated Anodyne COc1cc([C@@H]2COc3cc(OC)c4c(c3[C@@H]2OC(C)=O)CCc2cc(O)ccc2-4)ccc1O ZINC000013378526 JJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2COc3cc(OC)c4c(c3[C@H]2OC(C)=O)CCc2cc(O)ccc2-4)cc(OC)c1O ZINC000013378531 JJ Annotated Anodyne COc1cc([C@@H]2COc3cc(OC)c4c(c3[C@@H]2OC(C)=O)CCc2cc(O)ccc2-4)cc(OC)c1O ZINC000013378534 JJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2COc3cc4c(cc3[C@@H]2OC(C)=O)-c2c(cc(O)cc2OC)CC4)ccc1O ZINC000013378540 JJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c(cc3[C@H]2OC(C)=O)-c2c(cc(O)cc2OC)CC4)ccc1O ZINC000013378541 JJ Annotated Anodyne CO/C(=C\c1ccc(O)cc1)C(=O)N/C=C/c1cc(Br)c(OC)c(Br)c1 ZINC000013378880 JJ Annotated Anodyne CCCCC(=O)CCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000013380077 JJ Annotated Anodyne CCCC(=O)CCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000013380080 JJ Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@H]1c1ccc(O)cc1 ZINC000013383251 JJ Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]1c1cc(O)cc(O)c1 ZINC000013383255 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C(=C(Cl)Cl)c1c(C(C)=O)ccc(OC)c1OC)CC2 ZINC000013385682 JJ Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)/C1=C\C=C/CCCC(=O)OC ZINC000013386826 JJ Annotated Mild CO[C@H]1c2c(c(C(=O)CC(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O[C@@H]1C(C)(C)O ZINC000013429381 JJ Annotated Clean COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)/C=C\c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000013430683 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]12 ZINC000013432310 JJ Annotated Anodyne in-vitro biogenic N#Cc1ccc2c(O)c(C(=O)Nc3ccc(OCCCCCCCC(=O)O)cc3)c(O)nc2c1 ZINC000013440368 JJ Annotated Mild CC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442700 JJ Annotated Anodyne O=C(Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(=O)C1CC1)C2)c1cccnc1 ZINC000013442718 JJ Annotated Anodyne CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 ZINC000013443253 JJ Annotated Mild CCC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443669 JJ Annotated Anodyne COC[C@@H]1CCCN1c1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccccc2)n1 ZINC000013445170 JJ Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCCC2 ZINC000013447895 JJ Annotated Anodyne CSc1c([S@](C)=O)[nH]c2cc(Br)c(Br)c(Br)c12 ZINC000013449792 JJ Annotated Anodyne CSc1c([S@@](C)=O)[nH]c2cc(Br)c(Br)c(Br)c12 ZINC000013449796 JJ Annotated Anodyne COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(cccc35)C(=O)N4)cc2)cc1 ZINC000013450163 JJ Annotated Anodyne CN(Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450175 JJ Annotated Bother Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc(N)cc5)cc4)c13)NC2=O ZINC000013450232 JJ Annotated Anodyne Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c13)N=C2N ZINC000013450236 JJ Annotated Bother COc1ccc(S(=O)(=O)c2ccc(CN3CCCc4cc5c(cc43)nc(C)n5C)cc2)cc1 ZINC000013451100 JJ Annotated Anodyne O=C(O)c1ccc(Cn2nnc(-c3cccc(CSc4ccc5ccccc5n4)c3)n2)cc1 ZINC000013452765 JJ Annotated Anodyne O=C(O)c1ccccc1Cn1nnc(-c2ccc(CSc3ccc4ccccc4n3)cc2)n1 ZINC000013452769 JJ Annotated Anodyne O=C(O)c1ccccc1Cn1nnc(-c2cccc(CSc3ccc4ccccc4n3)c2)n1 ZINC000013452773 JJ Annotated Anodyne CNC(=O)CN(C)CC1=CC(C)(C)Oc2cc([C@@H](C)CCCc3ccc(F)cc3)cc(O)c21 ZINC000013455756 JJ Annotated Anodyne CNC(=O)CN(C)CC1=CC(C)(C)Oc2cc([C@H](C)CCCc3ccc(F)cc3)cc(O)c21 ZINC000013455760 JJ Annotated Anodyne CC(C)C(=O)Nc1nc(NC(=O)C(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000013474467 JJ Annotated Anodyne CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488003 JJ Annotated Anodyne O=C1COc2ccc([C@H](CN3CCCC3)n3cccc(-c4ccc(C(F)(F)F)cc4)c3=O)cc2N1 ZINC000013488449 JJ Annotated Anodyne O=C1COc2ccc([C@@H](CN3CCCC3)n3cccc(-c4ccc(C(F)(F)F)cc4)c3=O)cc2N1 ZINC000013488450 JJ Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ncccc3CCc3cc(Cl)c4[nH]ccc4c32)CC1 ZINC000013490769 JJ Annotated Anodyne Cc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CC(=O)N1CCCC1 ZINC000013494045 JJ Annotated Anodyne Cc1nc(O)c2c(cc(CNCCO)c3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494050 JJ Annotated Anodyne COC(=O)/C=C/c1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494057 JJ Annotated Anodyne COC(=O)CCc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494058 JJ Annotated Anodyne COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(C#N)cc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000013508975 JJ Annotated Mild CC(C)(O)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cn1 ZINC000013521141 JJ Annotated Anodyne CC(C)(O)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cn1 ZINC000013521147 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)cc1 ZINC000013521565 JJ Annotated Bother O=[N+]([O-])[C@H]1[C@@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000013521592 JJ Annotated Bother O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000013521605 JJ Annotated Bother O=[N+]([O-])[C@H]1[C@@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 ZINC000013521608 JJ Annotated Clean O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 ZINC000013521619 JJ Annotated Clean CC(=O)c1ccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000013521911 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1 ZINC000013522118 JJ Annotated Bother CC[C@@]1(c2cccc(Oc3cc(C(=O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523525 JJ Annotated Mild CC[C@]1(c2cccc(Oc3cc(C(=O)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523532 JJ Annotated Mild COCOC(=O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3OCc3ccccc3)oc12 ZINC000013526456 JJ Annotated Bother O=C(NCC1CCNCC1)c1cc(NS(=O)(=O)Cc2ccccc2)ccc1Sc1ccccc1 ZINC000013527394 JJ Annotated Anodyne CC[C@@H](C)n1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)c(Cl)cc1S ZINC000013533043 JJ Annotated Anodyne CC[C@H](C)n1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)c(Cl)cc1S ZINC000013533047 JJ Annotated Anodyne Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(/C(S)=N/c4ccccc4)CC3)=C(O)C2)cc1 ZINC000013543756 JJ Annotated Mild COc1ccc(Cc2nnc(/N=N\c3c(O)[nH]c4ccc(Br)cc34)nc2O)cc1 ZINC000013544775 JJ Annotated Clean CCOP(=O)(OCC)c1ccc(NC(=O)[C@@H]2SCC(=O)c3cc4c(cc32)CCC4)cc1 ZINC000013556715 JJ Annotated Anodyne CCOP(=O)(OCC)c1ccc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3C(=O)CS2)cc1 ZINC000013556792 JJ Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)CS2)OCO4)cc1)OCC ZINC000013556814 JJ Annotated Anodyne CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1 ZINC000013557088 JJ Annotated Anodyne CC(C)Cc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1 ZINC000013557092 JJ Annotated Anodyne CC(C)c1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1 ZINC000013557093 JJ Annotated Anodyne C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013558168 JJ Annotated Anodyne C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013558169 JJ Annotated Anodyne C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013558170 JJ Annotated Mild COC(=O)c1cc(C(=CCCCC(=O)N(C)C)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000013558585 JJ Annotated Anodyne O=C(Cc1ccccc1)Oc1cccc2c1C(=O)c1cccc(OC(=O)Cc3ccccc3)c1C2=O ZINC000013558884 JJ Annotated Clean N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)nc(-c4ccccc4)nc13)CCCC2 ZINC000013559636 JJ Annotated Mild COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCCCCC/C(S)=N/1 ZINC000013559808 JJ Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000013560021 JJ Annotated Bother Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(/C(S)=N/c4ccc(F)cc4)CC3)=C(O)C2)cc1 ZINC000013572145 JJ Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000013572662 JJ Annotated Anodyne Cc1noc(-c2nnc3c4c(c(OCc5ccccc5Br)nn23)C2CCC4CC2)n1 ZINC000013580805 JJ Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nncn21 ZINC000013584231 JJ Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nncn21 ZINC000013584233 JJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3CO)[nH]c(=O)c12 ZINC000013585170 JJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12 ZINC000013585203 JJ Annotated Clean in-vivo CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cc(O)cc(O)c3)[nH]c(=O)c12 ZINC000013585205 JJ Annotated Anodyne CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000013585892 JJ Annotated Anodyne CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C ZINC000013585908 JJ Annotated Anodyne CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 ZINC000013586255 JJ Annotated Anodyne O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000013586772 JJ Annotated Anodyne O=C1CCCC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587487 JJ Annotated Bother O=C1CCCC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587488 JJ Annotated Bother CN1C(=O)N([C@@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C(=O)C1(C)C ZINC000013587507 JJ Annotated Bother CN1C(=O)N([C@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C(=O)C1(C)C ZINC000013587508 JJ Annotated Bother Cn1cnnc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587813 JJ Annotated Anodyne Cn1cnnc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587814 JJ Annotated Anodyne Cn1cnnc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587815 JJ Annotated Anodyne Cn1cnnc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587816 JJ Annotated Anodyne Cn1cnnc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1 ZINC000013587828 JJ Annotated Anodyne Cn1cnnc1[C@](O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1 ZINC000013587829 JJ Annotated Anodyne O=C(O)c1cc(I)ccc1/N=C/c1nc(-c2ccc(Cl)cc2)oc1O ZINC000013588214 JJ Annotated Mild CC(=O)Nc1ccc(/N=C/c2nc(-c3ccc(C(F)(F)F)c(F)c3)oc2O)c(C(=O)O)c1 ZINC000013588221 JJ Annotated Mild Cc1cn(Cc2ccc3c(c2)OCO3)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589722 JJ Annotated Anodyne CCc1c(C(=O)NCCCn2ccnc2)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000013602542 JJ Annotated Anodyne CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2c(ccc(Cl)c2Cl)S1(=O)=O ZINC000013605545 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)C1=C(O)N(C2CC2)S(=O)(=O)c2ccc(Cl)cc21 ZINC000013605553 JJ Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(COc3cccc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000013606264 JJ Annotated Mild COc1cc([C@@H](C)N(O)C(=O)c2ccccc2-c2ccccc2C(=O)O)cc(OC)c1OC ZINC000013606312 JJ Annotated Anodyne COc1cc([C@H](C)N(O)C(=O)c2ccccc2-c2ccccc2C(=O)O)cc(OC)c1OC ZINC000013606314 JJ Annotated Anodyne Oc1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CCN(CC4CC4)CC3)cc2)c1 ZINC000013607750 JJ Annotated Clean Oc1cccc(N2CCc3cc(O)ccc3[C@H]2c2ccc(N3CCN(CC4CC4)CC3)cc2)c1 ZINC000013607752 JJ Annotated Clean COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 ZINC000013610266 JJ Annotated Anodyne O=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1c(Cl)nc2sccn12 ZINC000013611688 JJ Annotated Anodyne Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC1)C(=O)OC2 ZINC000013611809 JJ Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634533 JJ Annotated Mild CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000013634867 JJ Annotated Anodyne CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000013634932 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000013634935 JJ Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634962 JJ Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634979 JJ Annotated Anodyne COc1ccc2nc(N/C(=N\S(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1 ZINC000013638252 JJ Annotated Mild CC(C)N1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000013642238 JJ Annotated Anodyne CCCCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000013642241 JJ Annotated Anodyne CC(C)CN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000013642244 JJ Annotated Anodyne CCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O ZINC000013642253 JJ Annotated Anodyne Cc1cccc2c(C#N)c(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cc3)c12 ZINC000013646549 JJ Annotated Mild CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3c(C)cc(C)cc3C)=NO2)=C1c1ccc(OC)cc1 ZINC000013648825 JJ Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3c(C)cc(C)cc3C)=NO2)=C1c1ccc(OC)cc1 ZINC000013648827 JJ Annotated Anodyne CN(C(=O)/C=C/c1ccc(-n2ccnc2)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000013650009 JJ Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/I)[C@@H]2CCc3cc(O)c(F)cc3[C@@H]12 ZINC000013651618 JJ Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/I)[C@@H]2CCc3c(ccc(O)c3F)[C@@H]12 ZINC000013651619 JJ Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C\I)[C@@H]2CCc3cc(O)c(F)cc3[C@@H]12 ZINC000013651624 JJ Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C\I)[C@@H]2CCc3c(ccc(O)c3F)[C@@H]12 ZINC000013651625 JJ Annotated Anodyne COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccccc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000013652054 JJ Annotated Anodyne COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(O)cc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000013652055 JJ Annotated Anodyne Cc1c(Sc2ccccc2)n(COCCN(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000013652191 JJ Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013656945 JJ Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013656966 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656977 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013656993 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000013657006 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013657016 JJ Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657022 JJ Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCCCCO)O1 ZINC000013657030 JJ Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657034 JJ Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000013657039 JJ Annotated Anodyne CC(C)C[C@@H](CN(C)N=O)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O ZINC000013659518 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O)N(CCc1ccccc1)N=O ZINC000013659532 JJ Annotated Anodyne CC[C@H](C)[C@@H](CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O)N(CCc1ccccc1)N=O ZINC000013659535 JJ Annotated Anodyne CC(C)C[C@@H](CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O)N(CCc1ccccc1)N=O ZINC000013659538 JJ Annotated Anodyne CCCC[C@H](CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O)N(CCc1ccccc1)N=O ZINC000013659544 JJ Annotated Anodyne CC(C)CCN(N=O)[C@@H](Cc1ccccc1)CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O ZINC000013659568 JJ Annotated Anodyne C=C1CCN([C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C(C)C)S(=O)(=O)c2ccccc21 ZINC000013659994 JJ Annotated Mild CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660418 JJ Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660421 JJ Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660435 JJ Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660438 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660522 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660524 JJ Annotated Anodyne CN1[C@@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000013660671 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000013660673 JJ Annotated Anodyne CN1[C@@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660725 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660728 JJ Annotated Anodyne CN1[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660734 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660737 JJ Annotated Anodyne CC(C)CCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCCC(C)C ZINC000013660837 JJ Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@@H](CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000013661209 JJ Annotated Anodyne COc1cc(OC)c2ccc(=O)oc2c1[C@H](CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000013661212 JJ Annotated Anodyne COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000013661272 JJ Annotated Anodyne COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000013661275 JJ Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 ZINC000013661728 JJ Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](CC(C)C)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013661804 JJ Annotated Anodyne CCN1c2ncc(CCOc3cccc4c(C(=O)O)cccc34)cc2C(=O)N(C)c2cccnc21 ZINC000013671788 JJ Annotated Anodyne CCN1c2ncc(CCOc3ccc4c(C(=O)O)cccc4c3)cc2C(=O)N(C)c2cccnc21 ZINC000013671790 JJ Annotated Anodyne CCN1c2ncc(CCOc3ccc(C(=O)O)cc3C)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013671805 JJ Annotated Anodyne CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[P@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000013677707 JJ Annotated Anodyne CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[P@@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000013677709 JJ Annotated Anodyne CNc1cccc2c1[C@H](C)C[C@]1(C)/C(=N/CCCNCCCCNCCCN)Nc3ccccc3[C@H]21 ZINC000013678598 JJ Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CC3CC3)C=C2C1=O ZINC000013687456 JJ Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CC3CC3)C=C2C1=O ZINC000013687462 JJ Annotated Mild CC(C)CN1C=C2C(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687486 JJ Annotated Mild CC(C)CN1C=C2C(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C=C2C=C1c1ccc(C#N)cc1 ZINC000013687491 JJ Annotated Mild O=C(NCCCc1ccccc1)c1cc2c3c(ccc2[nH]1)OC[C@H](CNCCCc1ccccc1)O3 ZINC000013726440 JJ Annotated Anodyne O=C(NCCCc1ccccc1)c1cc2c3c(ccc2[nH]1)OC[C@@H](CNCCCc1ccccc1)O3 ZINC000013726444 JJ Annotated Anodyne CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000013726500 JJ Annotated Bother CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000013726504 JJ Annotated Bother CNC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NC)[nH]c2ccccc12 ZINC000013734669 JJ Annotated Reactive CONC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NOC)[nH]c2ccccc12 ZINC000013734672 JJ Annotated Reactive COC(=O)CCCC(=O)N(O)[C@@H](C)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000013738966 JJ Annotated Anodyne COC(=O)CCCC(=O)N(O)[C@H](C)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000013738967 JJ Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(C)cc3)cs2)c1C(F)(F)F ZINC000013740055 JJ Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C)c3)cs2)c1C(F)(F)F ZINC000013740058 JJ Annotated Anodyne NCCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740067 JJ Annotated Anodyne NCCCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740068 JJ Annotated Anodyne CN(C)C(=O)c1c(SSc2c(C(=O)N(C)C)c3ccccc3n2C)n(C)c2ccccc12 ZINC000013740084 JJ Annotated Reactive CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000013740481 JJ Annotated Bother CC(=O)c1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000013740483 JJ Annotated Bother CSc1ccc([C@H]2N=C(OCc3ccc(NS(C)(=O)=O)cc3)N(C)Cc3ccccc32)cc1 ZINC000013741982 JJ Annotated Anodyne CSc1ccc([C@@H]2N=C(OCc3ccc(NS(C)(=O)=O)cc3)N(C)Cc3ccccc32)cc1 ZINC000013741983 JJ Annotated Anodyne CCc1cc(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)c2nc(OC)ccc2n1 ZINC000013742170 JJ Annotated Bother CCCC(=O)c1cnc2c(OCCOCCOCCO)cccc2c1Nc1ccccc1C ZINC000013742266 JJ Annotated Anodyne CC[C@@H](c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1)c1c(O)oc2cc(OC)ccc2c1=O ZINC000013743235 JJ Annotated Anodyne CC[C@H](c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1)c1c(O)oc2cc(OC)ccc2c1=O ZINC000013743236 JJ Annotated Anodyne C/C(=N\OCCN1CCOCC1)c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 ZINC000013743625 JJ Annotated Mild FC(F)(F)c1cc(CO[C@H]2OCCN(Cn3cncn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013755701 JJ Annotated Anodyne COc1ccc2c(O)c([C@@H](c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)C3CC3)c(=O)oc2c1 ZINC000013756550 JJ Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1NC[C@@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756942 JJ Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1NC[C@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756945 JJ Annotated Anodyne CC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O ZINC000013758618 JJ Annotated Anodyne C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)C[C@@H](C)N1C ZINC000013758957 JJ Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)C[C@@H](C)N1C ZINC000013758961 JJ Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)C[C@H](C)N1C ZINC000013758963 JJ Annotated Anodyne Cn1nnc(-c2cc(-c3ccoc3)c3ccc(OCc4cccc(C5(O)CCOCC5)c4)cc3c2)n1 ZINC000013759165 JJ Annotated Anodyne CCCN1CCC[C@@]12COc1cccc(OCCCCN3C(=O)CC4(CCCC4)CC3=O)c1C2 ZINC000013759911 JJ Annotated Anodyne CCCN1CCC[C@]12COc1cccc(OCCCCN3C(=O)CC4(CCCC4)CC3=O)c1C2 ZINC000013759912 JJ Annotated Anodyne CC(C)C[C@@H](c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761719 JJ Annotated Anodyne CC(C)C[C@H](c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761720 JJ Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)C13CC4CC(CC(C4)C1)C3)CCc1cc(O)c(O)c(O)c1-2 ZINC000013779620 JJ Annotated Clean CCN1c2ncc(COc3ccnc(C(F)(F)F)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780571 JJ Annotated Anodyne COc1ccc(CCNCC[C@@H]2CN(Cc3ccc(OC)c(OC)c3)c3ccccc3O2)cc1OC ZINC000013780750 JJ Annotated Anodyne COc1ccc(CCNCC[C@H]2CN(Cc3ccc(OC)c(OC)c3)c3ccccc3O2)cc1OC ZINC000013780751 JJ Annotated Anodyne O=C(O)C[C@@](O)(C[C@H](O)CCCCCn1c(-c2ccccc2)cc2cc(Cl)ccc21)C(=O)O ZINC000013781093 JJ Annotated Anodyne COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@@H](C1)C(c1ccccc1)(c1ccccc1)CC[S@@]2=O ZINC000013781133 JJ Annotated Anodyne COc1ccccc1[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)C(c1ccccc1)(c1ccccc1)CC[S@]2=O ZINC000013781134 JJ Annotated Anodyne COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@@H](C1)C(c1ccccc1)(c1ccccc1)CC[S@]2=O ZINC000013781135 JJ Annotated Anodyne COc1ccccc1[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)C(c1ccccc1)(c1ccccc1)CC[S@@]2=O ZINC000013781136 JJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CSc2cccnc2)cc1-c1ccccc1)C(=O)O ZINC000013781616 JJ Annotated Anodyne CCOCCN(C)CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013781674 JJ Annotated Anodyne CCOCCN(C)CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013781675 JJ Annotated Anodyne COc1ccc(OC[C@@H]2CN3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000013782987 JJ Annotated Anodyne COc1ccc(OC[C@H]2CN3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000013782988 JJ Annotated Anodyne CCN(c1nc(C)cc(N(CCOC)CCOC)n1)c1ccc(C(C)C)cc1Br ZINC000013794437 JJ Annotated Anodyne COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1cccc2ccccc12 ZINC000013796761 JJ Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cc[nH]n3)n2)CC1 ZINC000013797254 JJ Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1 ZINC000013797257 JJ Annotated Anodyne CC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000013797267 JJ Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CF)(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013797281 JJ Annotated Anodyne CCN(CC)c1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C ZINC000013797311 JJ Annotated Anodyne Cc1cc(C)nc(O[C@@H](C(=O)O)C(OCCc2ccc(O)cc2)(c2ccccc2)c2ccccc2)n1 ZINC000013799606 JJ Annotated Anodyne Cc1cc(C)nc(O[C@H](C(=O)O)C(OCCc2ccc(O)cc2)(c2ccccc2)c2ccccc2)n1 ZINC000013799609 JJ Annotated Anodyne Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2noc(C)c2Cl)c(C)c1CC#N ZINC000013801686 JJ Annotated Mild CSCC[C@H](NC(=O)c1ccc(CN[C@H](CO)C2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000013802296 JJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN[C@@H](CO)C2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000013802298 JJ Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1 ZINC000013803073 JJ Annotated Anodyne O=C(c1ccccc1SCCO)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803085 JJ Annotated Anodyne O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1 ZINC000013813766 JJ Annotated Anodyne aggregator CC[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813784 JJ Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccc(Br)cc1 ZINC000013813827 JJ Annotated Anodyne aggregator CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815616 JJ Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815619 JJ Annotated Mild Cc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000013815796 JJ Annotated Anodyne Cc1cc2c(cc1/C=C/c1sccc1S(=O)(=O)Nc1onc(C)c1Br)OCO2 ZINC000013815853 JJ Annotated Anodyne COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCCC1 ZINC000013816710 JJ Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCCC1 ZINC000013816713 JJ Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013816998 JJ Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817004 JJ Annotated Mild CN(C)c1ccc(CCN2C3=C(C(=O)Nc4ccccc4F)C(=O)CCN3c3ccc(F)cc32)cc1 ZINC000013817137 JJ Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(c3cccc(C#N)c3)C=C2C1=O ZINC000013817344 JJ Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(c3cccc(C#N)c3)C=C2C1=O ZINC000013817348 JJ Annotated Mild C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)N[C@@H](C)c1ccccc1)CC3 ZINC000013817410 JJ Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1 ZINC000013817641 JJ Annotated Anodyne C=CC1=C2C=C(C3CC3)N(c3ccc(OC)cc3)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817797 JJ Annotated Mild C=CC1=C2C=C(C3CC3)N(c3ccc(OC)cc3)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817800 JJ Annotated Mild CC(C)OCCCN1C=C2C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817887 JJ Annotated Mild CC(C)OCCCN1C=C2C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817890 JJ Annotated Mild COc1cc2cc(C(=O)C[C@@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000013817992 JJ Annotated Bother COc1cc2cc(C(=O)C[C@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000013817996 JJ Annotated Bother COC(=O)c1ccc(C[n+]2ccc(CCC(=O)c3cc4cc(OC)c(OC)cc4s3)cc2)cc1 ZINC000013818098 JJ Annotated Anodyne COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc([N+](=O)[O-])o4)cc3)sc2cc1OC ZINC000013818104 JJ Annotated Bother COc1cc(N/C(=N/c2cccc(OCCOc3ccccc3)c2)NC#N)ccc1-c1cnco1 ZINC000013818905 JJ Annotated Mild CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2COC(=O)c2ccccc2)c1C ZINC000013820762 JJ Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2COC(=O)c2ccccc2)c1C ZINC000013820764 JJ Annotated Anodyne Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=N[C@H]2C ZINC000013821118 JJ Annotated Anodyne Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=N[C@@H]2C ZINC000013821120 JJ Annotated Anodyne C[C@@H]1CCC[C@@H](N2Cc3c(n(CC(=O)c4ccccc4)c4cc(-c5ccccc5)nn4c3=O)C2=O)[C@@H]1C ZINC000013821995 JJ Annotated Anodyne C[C@H]1CCC[C@@H](N2Cc3c(n(CC(=O)c4ccccc4)c4cc(-c5ccccc5)nn4c3=O)C2=O)[C@@H]1C ZINC000013821997 JJ Annotated Anodyne C[C@@H]1CCC[C@H](N2Cc3c(n(CC(=O)c4ccccc4)c4cc(-c5ccccc5)nn4c3=O)C2=O)[C@@H]1C ZINC000013821999 JJ Annotated Anodyne C[C@H]1CCC[C@H](N2Cc3c(n(CC(=O)c4ccccc4)c4cc(-c5ccccc5)nn4c3=O)C2=O)[C@@H]1C ZINC000013822001 JJ Annotated Anodyne CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCCO)c2nc3ccccc3nc21 ZINC000013822027 JJ Annotated Clean CCn1c(/C=C/C=C2/N(CCO)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 ZINC000013822037 JJ Annotated Clean CCn1c(/C=C/C=C2/N(CC(=O)N(C)C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 ZINC000013822039 JJ Annotated Clean COc1ccc2c(C(=S)N(C)CC(=O)O)cc(Cc3ccccc3)cc2c1Br ZINC000013823552 JJ Annotated Anodyne CCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2ccc(C(C)C)ccc1-2 ZINC000013826241 JJ Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCN1CCC(Cc2c[nH]c3cccc(F)c23)CC1 ZINC000013826839 JJ Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCN1CCC(Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000013826841 JJ Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C(N)=O ZINC000013827806 JJ Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2CO)c1NC(=O)NCCC(C)C ZINC000013827834 JJ Annotated Anodyne CC(=O)Nc1ccc(SC[C@@H](CC(C)C)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013829755 JJ Annotated Anodyne CC(=O)Nc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 ZINC000013830018 JJ Annotated Anodyne C=C1CCN([C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C(C)C)S(=O)(=O)c2ccccc21 ZINC000013830735 JJ Annotated Mild COC(=O)Cc1c(SSc2c(CC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 ZINC000013832594 JJ Annotated Reactive COC(=O)CCC/C=C(/c1ccc(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000013836079 JJ Annotated Anodyne COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCc1ccncc1 ZINC000013860476 JJ Annotated Anodyne S=C(NCCOc1nc2cc(Cl)ccc2n2cccc12)Nc1ccc(Br)cn1 ZINC000013861552 JJ Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C1CCCC1 ZINC000013863103 JJ Annotated Anodyne Cc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000013864356 JJ Annotated Clean CC(C)(C)c1ccc(-n2nc(N)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1 ZINC000013864620 JJ Annotated Clean COc1cc(/C=N/n2c(-c3ccc4c(c3)NC(=O)CO4)cs/c2=N\c2cccc(C)c2)ccc1O ZINC000013865354 JJ Annotated Mild Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000013878848 JJ Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000013878849 JJ Annotated Bother Cc1cccc(CNc2ccc([C@@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])c1 ZINC000013878870 JJ Annotated Bother Cc1cccc(CNc2ccc([C@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])c1 ZINC000013878871 JJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000013878906 JJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000013878907 JJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878924 JJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878925 JJ Annotated Bother C/C(=N/c1ccc(S(N)(=O)=O)cc1)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O ZINC000013893436 JJ Annotated Mild C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(\C)CC[C@H]12)OC(C)=O ZINC000013910027 JJ Annotated Mild C=C(C)[C@H](C[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(\C)CC[C@H]12)OC(C)=O ZINC000013910028 JJ Annotated Mild C=C(C)[C@@H](C[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(\C)CC[C@H]12)OC(C)=O ZINC000013910029 JJ Annotated Mild CC(=O)O[C@@H]1O[C@@H](C2=CC(=O)O[C@@H]2O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000013913393 JJ Annotated Anodyne in-vivo COC(=O)COc1c(Br)cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OC ZINC000013914590 JJ Annotated Anodyne O=C(c1ccccc1)[C@H]1N[C@@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000013915974 JJ Annotated Anodyne O=C(c1ccccc1)[C@@H]1N[C@@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000013915975 JJ Annotated Anodyne COc1c(O)cc2c(c1C(=O)O)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000013916082 JJ Annotated Mild CC(C)Cc1ccc([C@H](C)C(=O)OCCCOc2no[n+]([O-])c2Sc2ccccc2)cc1 ZINC000013918915 JJ Annotated Anodyne COCn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 ZINC000013973985 JJ Annotated Anodyne O=C(O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cnc2ccccc2c1 ZINC000013975810 JJ Annotated Anodyne O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc2c(c1)OCO2 ZINC000013976924 JJ Annotated Anodyne COc1cc(OC)cc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)c1 ZINC000013976926 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@H]3CCCc4c(Cl)cccc43)C(F)(F)F)cc12 ZINC000013977589 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@H]3CCCc4c(Cl)cccc43)C(F)(F)F)cc12 ZINC000013977591 JJ Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@H]3CCCc4c(Cl)cccc43)C(F)(F)F)cc12 ZINC000013977593 JJ Annotated Anodyne COc1ccc(N(C(=O)NCc2ccccc2Cl)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000013985996 JJ Annotated Anodyne CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 ZINC000013986650 JJ Annotated Anodyne CC[C@@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F ZINC000013986660 JJ Annotated Anodyne CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F ZINC000013986664 JJ Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21CO ZINC000135622474 JJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000135624936 JJ Annotated Mild C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000135630396 JJ Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1 ZINC000135659464 JJ Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000135660730 JJ Annotated Mild C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)[C@@H](NC(=O)c5cccnc5)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C ZINC000135661999 JJ Annotated Anodyne CCN(CC)C(=S)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 ZINC000135986018 JJ Annotated Mild COCC1=C(C)C[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000136022931 JJ Annotated Mild C[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(-c3ccccc3)cc2)c1Nc1ccccc1 ZINC000136027457 JJ Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(C(F)(F)F)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000136031938 JJ Annotated Anodyne CCCCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCCCC)[C@H](c1ccc(O)c(O)c1)O2 ZINC000136131923 JJ Annotated Anodyne C/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CC[C@H]2[C@@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)c(C(=O)O)c(c43)O[C@H]21 ZINC000136256457 JJ Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377690 JJ Annotated Mild CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377863 JJ Annotated Anodyne CCCCOc1ccc(NC(=O)N[C@@H](COCc2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000136618391 JJ Annotated Anodyne CCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 ZINC000136620799 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000136639105 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000136639150 JJ Annotated Anodyne C/C=C/[C@H]1O[C@@H]([C@@H](O)/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@@H]2CC=CC(=O)O2)C[C@H](O)[C@H]1C ZINC000136687521 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1cc(Cl)ccc1O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000136688754 JJ Annotated Anodyne CC(C)[C@@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@@H]3O[C@@]34C[C@@H](O)C[C@@H](O)[C@]4(C)C2=O)[C@]1(C)CCO ZINC000136748911 JJ Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@](C)(O)[C@@H]24)[C@@H](C)CO[C@@]3(C)[C@H](OC(=O)CCCCCCC)C[C@H]1O ZINC000137056830 JJ Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)/C=C(/C)CC(=O)O)C(=O)C2=CO1 ZINC000137082949 JJ Annotated Mild CN(C)CCCOC(=O)Nc1cccc(CN2N=C(c3cc(F)cc(F)c3)CSC2=O)c1 ZINC000137109113 JJ Annotated Anodyne CC1=CC(=O)[C@H](C(C)C)[C@H]2/C=C(/C)[C@@]3(O)C=C[C@](C)(O3)[C@@H](OC(=O)Cc3ccccc3)C[C@@H]12 ZINC000137109744 JJ Annotated Mild C=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C=C/C(C)=C/[C@H](C)CC)CC[C@@H](C(=O)O)[C@@]21C ZINC000137115362 JJ Annotated Reactive COC(=O)CCCCN1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O ZINC000137174720 JJ Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@@H](OC(C)=O)CCC2=O)OC ZINC000137303794 JJ Annotated Mild C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)O[C@@]7(C)O[C@]5(CC[C@]34C)C[C@@]67O)O2)OC1=O ZINC000137314552 JJ Annotated Anodyne C[C@H]1C[C@@H]2CN3[C@](CC[C@@]4(C)[C@@]5(C)CC(=O)O[C@@]34C[C@]3(C)[C@@H]5C(=O)[C@H](C)[C@@H]4C[C@H](O)[C@@H](C)C[C@H]43)(C1)O2 ZINC000137356509 JJ Annotated Anodyne COc1cccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)c1 ZINC000137487625 JJ Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C\C=C/1 ZINC000137572590 JJ Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C ZINC000137575015 JJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000137712324 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000137712415 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4OC[C@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000137716258 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4OC[C@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000137716353 JJ Annotated Mild Cc1ccc2c(c1)C(=O)N(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O ZINC000137733520 JJ Annotated Reactive Cc1cccc2c1C(=O)N(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O ZINC000137733864 JJ Annotated Reactive COC(=O)[C@H]1O[C@@H]2c3cc(C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(=O)O)oc3[C@H](C)[C@H]1C2(C)C ZINC000137766614 JJ Annotated Anodyne CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000137844745 JJ Annotated Anodyne CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000137861590 JJ Annotated Mild CC(C)=CCC[C@H]1C(=O)O[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H]5C(=CC4=CC[C@]3(C)[C@H]21)C[C@@H](O)[C@H](O)C5(C)C ZINC000138037398 JJ Annotated Mild CCOC(=O)C1=C(CN2CCCC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138118729 JJ Annotated Anodyne CCOC(=O)C1=C(CN2CCCC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138118808 JJ Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)[C@@H]1[C@H](/C=C\CCCC(=O)OC)OC(C)=O ZINC000138144845 JJ Annotated Mild C=C1[C@@H]2C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4CC[C@H]3[C@]2(C)CC[C@@]1(O)[C@@H](C)[C@H]1CC=C(C)C(=O)O1 ZINC000138200916 JJ Annotated Mild CC1(C)C[C@](O)(C[C@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@H]3Br)[C@@H]24)CC[C@H]1Br ZINC000138241628 JJ Annotated Reactive COc1ccc(CC2CCCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000138275855 JJ Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c(C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C)c(C)n2O ZINC000138311181 JJ Annotated Anodyne CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@@H]4C[C@H]1C(C)(C)O[C@]3(CC=C(C)C)C4=O)C2=O ZINC000138774689 JJ Annotated Anodyne C=C(C(=O)O[C@H]1C(=O)C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@H]2[C@]1(C)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000138852835 JJ Annotated Mild C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@](C)(OC(=O)CCCCCCC)[C@@H]24)[C@@H](C)CO[C@@]3(C)C(=O)C[C@H]1O ZINC000138973918 JJ Annotated Mild CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(OCF)cc1 ZINC000139044292 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(OC(F)F)cc1 ZINC000139050946 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1n[nH]c2ccccc12)c1ccc(OC(F)F)cc1 ZINC000139051003 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1 ZINC000139054032 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(OCF)cc1 ZINC000139054150 JJ Annotated Anodyne CC(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)N/C=C\c1c(CC=C(C)C)[nH]c2ccccc12)C(C)C ZINC000139173832 JJ Annotated Anodyne CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc2ccncc2n1CC1CCC1 ZINC000139251406 JJ Annotated Anodyne CCCC(CCC)[C@@H]1[C@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268285 JJ Annotated Anodyne CCCC(CCC)[C@H]1[C@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268363 JJ Annotated Anodyne CCCC(CCC)[C@@H]1[C@@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268432 JJ Annotated Anodyne CCCC(CCC)[C@H]1[C@@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000139268504 JJ Annotated Anodyne CC(=O)OC[C@]12C[C@@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000139381923 JJ Annotated Anodyne C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)Cl ZINC000139558356 JJ Annotated Reactive O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cc4)ccn23)c1 ZINC000139570711 JJ Annotated Anodyne Nc1cc(Cl)cnc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139607328 JJ Annotated Anodyne CC(C)Oc1ccc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl ZINC000139615961 JJ Annotated Anodyne COc1cnc(Cl)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139633702 JJ Annotated Anodyne CC(C)n1ccnc1C#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139671228 JJ Annotated Mild CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nc(C)no3)c2)cn1 ZINC000139939514 JJ Annotated Anodyne COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 ZINC000014020727 JJ Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@H](C)[C@H]2O)[C@@]2(C)C(=O)O[C@H](C)CCC/C=C(\C(=O)O)[C@H](O)[C@@H](C)/C=C/C=C/[C@@H]12 ZINC000014113500 JJ Annotated Anodyne in-vitro C=C1C[C@H](O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000014165257 JJ Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000014209999 JJ Annotated Anodyne C[C@H](Nc1nccc(N(C(=O)NCc2ccccc2Cl)c2ccc(F)cc2)n1)C(C)(C)O ZINC000014211346 JJ Annotated Anodyne O=[N+]([O-])c1ccc(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)s1 ZINC000014279235 JJ Annotated Reactive C=C1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@@H]3C=C(C(C)C)[C@]54C(=O)O)C[C@H]12 ZINC000014300263 JJ Annotated Mild O=C1c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2[C@H]1c1ccc(O)cc1)[C@H](c1ccc(O)cc1)O3 ZINC000014420814 JJ Annotated Anodyne C=C1CC[C@@H](Br)[C@@]2(C)[C@H]1[C@H]1[C@H](C(C)C)[C@H](OC(C)=O)C[C@](C)(O)[C@@H]1C[C@H]2OC(C)=O ZINC000140001169 JJ Annotated Reactive COc1ccc([C@]2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)cc1 ZINC000140053113 JJ Annotated Anodyne COc1ccc([C@@]2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)cc1 ZINC000140053248 JJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2ccc(F)cc2)CCCN(C)C1 ZINC000140093706 JJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccc(F)cc2)CCCN(C)C1 ZINC000140093894 JJ Annotated Anodyne CC(=O)O[C@@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]12C(C)(C)[C@H](Br)CC[C@@]2(C)O ZINC000140213694 JJ Annotated Reactive C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)ccc(O)c3F)n2)C1 ZINC000140231204 JJ Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21 ZINC000140243289 JJ Annotated Anodyne CCCCCCCN1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000140266902 JJ Annotated Mild COc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1 ZINC000140290912 JJ Annotated Anodyne Cc1nc2ccccc2n1CC(=O)N(c1ccc(N)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140325590 JJ Annotated Anodyne Cc1nc2ccccc2n1CC(=O)N(c1ccc(N)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140325746 JJ Annotated Anodyne Cc1nccn1CC(=O)N(c1ccc(NC(=O)C(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140326627 JJ Annotated Anodyne Cc1nccn1CC(=O)N(c1ccc(NC(=O)C(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140326812 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2c(O)c(C)c3c4c2[C@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000140368279 JJ Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(O)c(C)c3c4c2[C@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)O[C@@H](C)[C@H]1O ZINC000140368881 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(O)c(C)c3c4c2[C@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)[C@@H](O)[C@@H]1O ZINC000140369490 JJ Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(O)c(C)c3c4c2[C@H](C)CC[C@H]4[C@H](C)C[C@H]3C=C(C)C)O[C@@H](C)[C@H]1O ZINC000140370833 JJ Annotated Anodyne COC(=O)N(CC(=O)O)Cc1cc(F)cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1 ZINC000140383180 JJ Annotated Anodyne CC1=CC(=O)[C@H]2[C@@H](C)C(=O)[C@H]3[C@@](C)(C[C@@]45OC(=O)C[C@]3(C)[C@]4(C)CC[C@]34C[C@@H](C)C[C@H](CN35)O4)[C@@H]2C1 ZINC000140452017 JJ Annotated Mild CC1(C)[C@H](Br)CC[C@]1(C)C1=C[C@@]2(O)[C@](C)(CC1=O)[C@@H](Br)CC[C@@]2(C)O ZINC000140465270 JJ Annotated Reactive C[C@](Br)(CCl)[C@H](Cl)C[C@@H](Br)[C@@](C)(Cl)[C@H](O)CBr ZINC000140477958 JJ Annotated Reactive C=C1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H](C/C(C)=C\CC[C@@]3(C)OC(=O)CCC)[C@@H]12 ZINC000140495436 JJ Annotated Mild CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000140497865 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N1CCCC1)CC2 ZINC000140498036 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000140498184 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N1CCCC1)CC2 ZINC000140498344 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@H]3c2ccc(N3CCOCC3)cc2)ccc1-c1cnc(C)o1 ZINC000140534675 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@H]3c2ccc(N3CCOCC3)cc2)ccc1-c1cnc(C)o1 ZINC000140534848 JJ Annotated Anodyne CC(C)=CC/C=C(C)/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O ZINC000140571752 JJ Annotated Reactive CCCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 ZINC000140602439 JJ Annotated Anodyne CC(C)Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 ZINC000140602620 JJ Annotated Anodyne CC(C)(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 ZINC000140602975 JJ Annotated Anodyne CC(F)(F)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 ZINC000140603347 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(Br)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000140681409 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(Br)c2)[C@]12C(=O)Nc1ccccc12 ZINC000140681584 JJ Annotated Anodyne CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@]12C ZINC000140695327 JJ Annotated Anodyne in-man endogenous COc1cccc([C@@]2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)c1 ZINC000140785425 JJ Annotated Anodyne COc1cccc([C@]2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)c1 ZINC000140785592 JJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@]1(c2cccc(F)c2)CCCN(C)C1 ZINC000140785797 JJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2cccc(F)c2)CCCN(C)C1 ZINC000140785961 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000140804487 JJ Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2c(ccc(F)c2F)C1 ZINC000141031506 JJ Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2c(ccc(F)c2F)C1 ZINC000141031679 JJ Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCc2c(ccc(F)c2F)C1 ZINC000141031864 JJ Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCc2c(ccc(F)c2F)C1 ZINC000141032052 JJ Annotated Mild O=C(/C=C/c1[nH]cc(Br)c1Br)N/C=C/c1ccc(O)c(Br)c1 ZINC000141068332 JJ Annotated Anodyne COc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2C)cc(C(F)(F)F)c1 ZINC000141175588 JJ Annotated Anodyne CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C(F)(F)F)c2)CC3)n1 ZINC000141182848 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC3CCCC3)nc2)c1F ZINC000141245164 JJ Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000141270845 JJ Annotated Anodyne COCCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F ZINC000141310394 JJ Annotated Anodyne O=c1nc(N2CCN(CCC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000141440904 JJ Annotated Anodyne C[C@@H](O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141499183 JJ Annotated Anodyne CO[C@H]1C[C@@H]2/C=C(C)/C=C/C=C\C(=O)N[C@H](c3ccccc3)C/C=C/CC[C@H](O)CC(=O)C2=C1O ZINC000141604874 JJ Annotated Mild O=S(=O)(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000141640575 JJ Annotated Anodyne CC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000141655212 JJ Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@H](NC(=O)Nc4ccc(C#N)cc4)C4CC4)c3)sc2C1 ZINC000141663599 JJ Annotated Anodyne CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000141682328 JJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)N3C[C@@H]3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141809991 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N3C[C@@H]3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141810192 JJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)N3C[C@H]3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141810419 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N3C[C@H]3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141810610 JJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)N3CCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141821522 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N3CCC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141821724 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1 ZINC000141847436 JJ Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3(C(=O)O)CCC3)s2)c1 ZINC000141976250 JJ Annotated Anodyne Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N3CCN(c4ccc(F)cc4)CC3)nc21 ZINC000142048796 JJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)NC3CC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142064447 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)NC3CC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142064644 JJ Annotated Anodyne CC(C)(C)CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000142090604 JJ Annotated Anodyne CC(C)(C)CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000142090811 JJ Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)O[C@@H](C)C2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000142098387 JJ Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)O[C@H](C)C2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000142098597 JJ Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)NCC[C@@H]3C(=O)Nc4ccccc43)CC2)ncc1Cl ZINC000142101673 JJ Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)NCC[C@H]3C(=O)Nc4ccccc43)CC2)ncc1Cl ZINC000142101880 JJ Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000142113705 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1F ZINC000142135127 JJ Annotated Anodyne CC(C)OCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000142202823 JJ Annotated Anodyne CCc1nc(O)c(Cc2cc3cc(OC)ccc3nc2NCCOC)c2cc(OC)c(OC)cc12 ZINC000142262465 JJ Annotated Anodyne O=S(=O)(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000142297421 JJ Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2)C1CC1 ZINC000142377959 JJ Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2)C1CC1 ZINC000142378214 JJ Annotated Anodyne Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)NCC#N)C(C)(C)C3)s2)c1 ZINC000142383949 JJ Annotated Mild Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)s1 ZINC000142451631 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)s1 ZINC000142451851 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)s1 ZINC000142452059 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)s1 ZINC000142452259 JJ Annotated Anodyne CCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000142560815 JJ Annotated Anodyne CCCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000142561246 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Nc3ncc(C)s3)nc2)c1F ZINC000142580069 JJ Annotated Anodyne CCC(=O)N(c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1ccncn1 ZINC000142634405 JJ Annotated Anodyne CCC(=O)N(c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1ccncn1 ZINC000142634610 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC)O[C@@H]3OC(C)=O ZINC000142742126 JJ Annotated Mild COc1c(NC(=O)N[C@@H]2Cc3c(F)cccc3[C@@H]2O)cc(C(C)(C)C)cc1[C@@H](O)C(F)(F)F ZINC000142857675 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N(C)C)CC2 ZINC000142874784 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N(C)C)CC2 ZINC000142874990 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N(C)C)CC2 ZINC000142875183 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N(C)C)CC2 ZINC000142875395 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1Cl)[C@H](NCC)CC2 ZINC000142906440 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1Cl)[C@@H](NCC)CC2 ZINC000142906625 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1Cl)[C@H](NCC)CC2 ZINC000142906786 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1Cl)[C@@H](NCC)CC2 ZINC000142906926 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NCc3ccccc3)nc2)c1F ZINC000142943596 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)[C@]34C[C@H]5C[C@](Br)(C[C@](C)(C5)C3)C4)CC2)nc1 ZINC000142950552 JJ Annotated Anodyne CCC(C)(C)c1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(OC)c([C@@H](O)C(F)(F)F)c1 ZINC000143103929 JJ Annotated Anodyne COc1cc(OCc2csc(-c3cnccn3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143130154 JJ Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](N)CC3)c1 ZINC000143168997 JJ Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)c1 ZINC000143169195 JJ Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](N)CC3)c1 ZINC000143169407 JJ Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](N)CC3)c1 ZINC000143169638 JJ Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000143188525 JJ Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000143188724 JJ Annotated Anodyne CC(C)n1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000143305862 JJ Annotated Anodyne O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(OC(F)(F)F)ccc43)cc2N1 ZINC000143418016 JJ Annotated Anodyne O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(C(F)(F)F)ccc43)cc2N1 ZINC000143444951 JJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@@](C)(CF)Oc4cc(C(F)(F)F)ccc43)cc21 ZINC000143460496 JJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@](C)(CF)Oc4cc(C(F)(F)F)ccc43)cc21 ZINC000143487132 JJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(C(F)(F)F)ccc43)cc21 ZINC000143522544 JJ Annotated Anodyne C=C1CC/C=C(\C)CC[C@@H]2C([C@@H](C/C=C(\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000143535467 JJ Annotated Mild COC(=O)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2cccc3ccccc23)cc1 ZINC000143573855 JJ Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2cccc3ccccc23)cc1 ZINC000143574075 JJ Annotated Mild CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(Cl)cc2O1 ZINC000143583537 JJ Annotated Anodyne O=C1CCc2ccc(NC(=S)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2N1 ZINC000143588559 JJ Annotated Anodyne Nc1nccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12 ZINC000143629333 JJ Annotated Anodyne in-vitro Nc1nccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12 ZINC000143630029 JJ Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000143644852 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(F)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143668864 JJ Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(F)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143669069 JJ Annotated Mild CCOC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143670914 JJ Annotated Mild CCOC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143671107 JJ Annotated Mild CCOC(=O)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143695473 JJ Annotated Mild CCOC(=O)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143695598 JJ Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1 ZINC000143718386 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCCc2c[nH]c3ccccc23)cc1 ZINC000143742402 JJ Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2CCCc2c[nH]c3ccccc23)cc1 ZINC000143742614 JJ Annotated Mild c1cc2cc(-c3ccc(-c4cn5cc(C6=NCCCN6)ccc5n4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000143819935 JJ Annotated Anodyne C#CCN(Cc1ccc(O)c2ncccc12)[C@H](C#N)CCC1CCN(Cc2ccccc2)CC1 ZINC000143825323 JJ Annotated Mild C#CCN(Cc1ccc(O)c2ncccc12)[C@@H](C#N)CCC1CCN(Cc2ccccc2)CC1 ZINC000143825536 JJ Annotated Mild c1cc2cc(-c3ccc(-c4nc5ccc(C6=NCCCN6)cc5[nH]4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000143830484 JJ Annotated Anodyne CCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1 ZINC000143918247 JJ Annotated Anodyne CCN(C(=O)C1CCOCC1)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000144142614 JJ Annotated Anodyne CCN(C(=O)C1CCOCC1)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000144142797 JJ Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H](N3CCCC3)[C@H]21 ZINC000144189473 JJ Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000144204363 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)CCC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144230774 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)CCC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144230987 JJ Annotated Anodyne COCCNc1nc2ccc(C#N)cc2nc1N1CCC([C@@H](F)c2ccc(F)cc2F)CC1 ZINC000144232520 JJ Annotated Anodyne COCCNc1nc2ccc(C#N)cc2nc1N1CCC([C@H](F)c2ccc(F)cc2F)CC1 ZINC000144232725 JJ Annotated Anodyne Nc1nccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCCCc4ccc3cc4)ccc12 ZINC000144232844 JJ Annotated Anodyne Nc1nccc2cc(N[C@@H]3C(=O)NCc4cccc(c4)NC(=O)CCCCc4ccc3cc4)ccc12 ZINC000144233035 JJ Annotated Anodyne COc1cc2c(c(OC(=O)C(C)C)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000144248982 JJ Annotated Anodyne CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(C(C)(C)C#N)ccn4)n3)cc(Cl)c2[nH]1 ZINC000144298934 JJ Annotated Mild C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@@H]1O)C3=O ZINC000144300970 JJ Annotated Reactive CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)[C@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144335427 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)[C@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144335639 JJ Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c3ccc(Cl)c4F)cc2NC1=O ZINC000144336407 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)CC(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144339091 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)CC(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144339303 JJ Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CCOCC3)CC2)c1 ZINC000144354030 JJ Annotated Anodyne N#Cc1ccc(Cl)c(C(=O)C2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c1 ZINC000144387099 JJ Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2c(F)cc(F)cc2F)nc2ccc(C(F)(F)F)cc21 ZINC000144387665 JJ Annotated Anodyne COc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1 ZINC000144393637 JJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c3ccc(Cl)c4F)cc21 ZINC000144397747 JJ Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(C/C=C3\[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@H]3OC(C)=O)[C@H](C)CC[C@@]12C ZINC000144403051 JJ Annotated Mild Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3Nc3cccnn3)CC2)c1 ZINC000144406211 JJ Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)nc2c1 ZINC000144428103 JJ Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3Nc3cnccn3)CC2)c1 ZINC000144443701 JJ Annotated Anodyne O=C(c1cc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc2cn1)N1CCC1 ZINC000144449031 JJ Annotated Anodyne O=C(c1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1)N1CCC1 ZINC000144449235 JJ Annotated Anodyne N#Cc1cccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc12 ZINC000144455379 JJ Annotated Anodyne N#Cc1cccc2nc(NC3CC3)c(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)nc12 ZINC000144484474 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144565200 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144565409 JJ Annotated Anodyne Cc1nnc(Nc2nc3ccccc3nc2N2CCN(Cc3cc(Cl)ccc3Cl)CC2)nc1C ZINC000144595854 JJ Annotated Anodyne O=c1[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1 ZINC000144612245 JJ Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@@](CC(N)=O)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000144635996 JJ Annotated Anodyne CN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1 ZINC000144636541 JJ Annotated Anodyne CN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc2cn1 ZINC000144636766 JJ Annotated Anodyne COCCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000144654425 JJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CCSCC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144668479 JJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(O)(CC)CC)nc3)cc(-c3ccccn3)c2s1 ZINC000144693539 JJ Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)CCCC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144745162 JJ Annotated Anodyne CC(C)(C)C(=O)N1CCN(c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000144779121 JJ Annotated Anodyne CC(C)(C)C(=O)N1CCN(c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000144779310 JJ Annotated Anodyne Cc1cc(C(=O)O)c2c(c1)nc(-c1c(F)c(F)c(-c3ccc(O)cc3)c(F)c1F)n2CCO ZINC000144817510 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)CC2CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144842588 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)CC2CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144842829 JJ Annotated Anodyne CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)C ZINC000144861801 JJ Annotated Anodyne CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)C ZINC000144862027 JJ Annotated Anodyne O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1 ZINC000144939741 JJ Annotated Mild O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1 ZINC000144939944 JJ Annotated Mild COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(NC3CCCCCCC3)cc12 ZINC000014537894 JJ Annotated Anodyne COc1c(Cc2c(O)c3c(c(C(=O)C(C)C)c2O)OC(C)(C)C=C3)c(O)c(C)c(O)c1C(C)=O ZINC000014558069 JJ Annotated Anodyne in-vitro biogenic CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]12C ZINC000014584564 JJ Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]12C ZINC000014584566 JJ Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]12C ZINC000014584568 JJ Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]12C ZINC000014584570 JJ Annotated Anodyne in-man CC[C@@H](C)C(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(C)c(O)c3c2OC(C)(C)CC3=O)c1O ZINC000014585761 JJ Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c(O)c2c1OC(C)(C)C=C2 ZINC000014585784 JJ Annotated Anodyne in-vitro CC[C@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c(O)c2c1OC(C)(C)C=C2 ZINC000014585786 JJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@H]1C(=O)C(C)(C)C(=O)[C@@H](C)[C@@]1(C)O)OC ZINC000014585885 JJ Annotated Anodyne CCCCC(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c1O ZINC000014587078 JJ Annotated Anodyne CCCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c1O ZINC000014587080 JJ Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c2OC)c(O)c1C ZINC000014590241 JJ Annotated Anodyne CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCC(=O)CC)cc(O)c1C(=O)OC ZINC000014594425 JJ Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H](c4ccc(O)c(O)c4)c4c(O)cc(O)cc4[C@H]23)cc1 ZINC000014636230 JJ Annotated Clean Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cc(O)cc(O)c1C2=O ZINC000014636470 JJ Annotated Anodyne in-man COc1ccc(C2=C3C(=C(c4ccccc4)C(=O)C4=C3c3ccc(OC)cc3OC4)OC2=O)cc1 ZINC000014638625 JJ Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#CC(=O)CCC(=O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000014650231 JJ Annotated Mild O=c1c2cc(O)ccc2oc2ccc(-c3c(O)ccc4oc5cccc(O)c5c(=O)c34)c(O)c12 ZINC000014660212 JJ Annotated Bother COc1cc([C@@H]2OC=C(c3cc4cc(O)c(C(C)=O)cc4o3)C[C@H]2COC(C)=O)ccc1O ZINC000014680361 JJ Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(C)=O ZINC000014683541 JJ Annotated Mild COc1c(C[C@H]2OC2(C)C)c2c(c3oc(=O)c(-c4ccc(O)cc4)c(O)c13)C=CC(C)(C)O2 ZINC000014692074 JJ Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)C2=CO1 ZINC000014693127 JJ Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)C/C(C)=C/C(=O)O)C(=O)C2=CO1 ZINC000014693134 JJ Annotated Mild C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4cc(O)ccc43)[C@@H]2C[C@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000014718013 JJ Annotated Mild CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CC(=O)CCC)cc(OC)c1C(=O)O ZINC000014718243 JJ Annotated Anodyne CC(=O)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000014721724 JJ Annotated Clean in-vitro biogenic COc1c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000014721732 JJ Annotated Anodyne COc1c(O)c(-c2ccc(O)cc2)c(O)c(OC(=O)Cc2ccccc2)c1-c1ccc(O)cc1 ZINC000014721734 JJ Annotated Anodyne COc1cc2oc3cc(OC)c(OC)c(/C=C/C(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C ZINC000014727641 JJ Annotated Bother in-man C=C(C)[C@H](O)Cc1c(OC)cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c1O ZINC000014727648 JJ Annotated Mild in-man C=C(C)[C@@H](O)Cc1c(OC)cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c1O ZINC000014727649 JJ Annotated Mild in-man C=C(C)[C@H](O)Cc1c(OC)c(OC)cc2oc3cc(OC)c(CC=C(C)C)c(O)c3c(=O)c12 ZINC000014727654 JJ Annotated Mild in-man biogenic C=C(C)[C@@H](O)Cc1c(OC)c(OC)cc2oc3cc(OC)c(CC=C(C)C)c(O)c3c(=O)c12 ZINC000014727655 JJ Annotated Mild in-man C#C[C@H](O)CCCCCCCCC#C[C@H](O)CC[C@@H](O)C#CCCCCCCCC[C@@H](O)C#C ZINC000014769209 JJ Annotated Mild O=C1CCCC[C@@H]1Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000014769554 JJ Annotated Clean CC1(C)[C@@H](Br)C[C@H](O)[C@@](C)(Br)[C@@]12Cc1cc(Br)ccc1O2 ZINC000014769708 JJ Annotated Reactive COc1ccc2c(c1)C(=O)c1c(NCCc3ccc(O)cc3)c(OC)c(OC)c3ccnc-2c13 ZINC000014824847 JJ Annotated Clean in-vitro biogenic CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C=C/c1ccc(O)cc1 ZINC000014827091 JJ Annotated Anodyne in-man endogenous CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C=C/c1ccc(O)cc1 ZINC000014827093 JJ Annotated Anodyne in-man endogenous CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)/C=C/c1ccc(O)cc1 ZINC000014827094 JJ Annotated Anodyne in-man endogenous CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)/C=C/c1ccc(O)cc1 ZINC000014827096 JJ Annotated Anodyne in-man endogenous C[C@@H]1CC[C@@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)c(O)ccc4o3)O2)O[C@@H]1[C@@H](C)C(=O)c1ccc[nH]1 ZINC000014850557 JJ Annotated Anodyne in-vitro C[C@@H]1CC[C@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(=O)O)c(O)ccc4o3)O2)O[C@@H]1[C@@H](C)C(=O)c1ccc[nH]1 ZINC000014850562 JJ Annotated Anodyne in-vitro CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(CC(=O)C[C@H](O)CCC)cc(O)cc1O2 ZINC000014883540 JJ Annotated Anodyne C/C=C/C#CC#Cc1ccc(C(=O)[C@@](O)(CC(C)=O)c2ccc(C#CC#C/C=C/C)s2)s1 ZINC000014885003 JJ Annotated Mild C/C=C/C#CC#Cc1ccc(C(=O)[C@](O)(CC(C)=O)c2ccc(C#CC#C/C=C/C)s2)s1 ZINC000014885005 JJ Annotated Mild O=C1Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2[C@@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1 ZINC000014887090 JJ Annotated Anodyne in-man O=C1Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2[C@]12c1c(O)cc(O)cc1O[C@@H]2c1ccc(O)cc1 ZINC000014887093 JJ Annotated Anodyne in-man O=C1Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2[C@@]12c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1 ZINC000014887097 JJ Annotated Anodyne in-man O=C1Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2[C@]12c1c(O)cc(O)cc1O[C@H]2c1ccc(O)cc1 ZINC000014887101 JJ Annotated Anodyne in-man Nc1ccc(CO[C@H]2C(=O)Nc3ccc(Cl)cc3[C@@]2(C#CC2CC2)C(F)(F)F)cc1F ZINC000014944007 JJ Annotated Mild O=C1NC(=O)c2c1c1c3ccc(CN4CCSCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 ZINC000014945591 JJ Annotated Bother Nc1nc(Nc2ccccc2NS(=O)(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F ZINC000014945641 JJ Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C ZINC000014955623 JJ Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C ZINC000014955627 JJ Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(C)c(=O)n2-c1cccc(Cl)c1 ZINC000014955734 JJ Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(C)c(=O)n2-c1cccc(Cl)c1 ZINC000014955737 JJ Annotated Anodyne Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C#N)c3)ccc21 ZINC000014955821 JJ Annotated Mild COc1cc(NC(=O)CCCc2cccs2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000014956098 JJ Annotated Mild CN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959610 JJ Annotated Anodyne CC(C)N1CC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959687 JJ Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)s2)CC1 ZINC000014959791 JJ Annotated Anodyne CCCN(c1cc(/C=C\[C@@H]2C[C@@H]2C)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O ZINC000014961915 JJ Annotated Anodyne CCCN(c1cc(/C=C\[C@H]2C[C@@H]2C)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O ZINC000014961919 JJ Annotated Anodyne CO[C@@H]1[C@H](c2c3c(c(O)c4c2O[C@@H](c2ccc(O)cc2)CC4=O)C=CC(C)(C)O3)OC1(C)C ZINC000014963520 JJ Annotated Anodyne CO[C@H]1[C@H](c2c3c(c(O)c4c2O[C@@H](c2ccc(O)cc2)CC4=O)C=CC(C)(C)O3)OC1(C)C ZINC000014963523 JJ Annotated Anodyne O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)c1cccc2ccccc12 ZINC000014963607 JJ Annotated Anodyne O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)c1cccc2ccccc12 ZINC000014963611 JJ Annotated Anodyne CC(C)N(CCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)C(C)C ZINC000014964427 JJ Annotated Anodyne CCN(CC)CCCNc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964574 JJ Annotated Anodyne CCN(CC)CCCNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964578 JJ Annotated Anodyne CCN(CC)CCCNc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964587 JJ Annotated Anodyne CCN(CC)CCCNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964591 JJ Annotated Anodyne CCN(CC)CCCNc1cc(C)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964595 JJ Annotated Anodyne CC(C)N1CCC(CNc2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)CC1 ZINC000014964620 JJ Annotated Anodyne CC(C)N1CCC[C@@H]1CCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964652 JJ Annotated Anodyne CC(C)N1CCC[C@H]1CCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964657 JJ Annotated Anodyne CCN(CC)CCCSc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964731 JJ Annotated Anodyne CCN(CC)CCSc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964735 JJ Annotated Anodyne CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964838 JJ Annotated Anodyne CCN(CC)CC/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964842 JJ Annotated Anodyne C[C@@H](/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)N1CCCC1 ZINC000014964849 JJ Annotated Anodyne C[C@H](/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)N1CCCC1 ZINC000014964853 JJ Annotated Anodyne C[C@@H](/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)N1CCCC1 ZINC000014964857 JJ Annotated Anodyne C[C@H](/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)N1CCCC1 ZINC000014964861 JJ Annotated Anodyne CCN(CC)[C@@H](C)/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964866 JJ Annotated Anodyne CCN(CC)[C@H](C)/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964870 JJ Annotated Anodyne CCN(CC)[C@@H](C)/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964874 JJ Annotated Anodyne CCN(CC)[C@H](C)/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964878 JJ Annotated Anodyne CCN(CC)CC/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964919 JJ Annotated Anodyne CCN(CC)CCCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964935 JJ Annotated Anodyne CCN(CC)C[C@@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964948 JJ Annotated Anodyne CCN(CC)C[C@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964952 JJ Annotated Anodyne CCN(CC)C[C@@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964956 JJ Annotated Anodyne CCN(CC)C[C@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964960 JJ Annotated Anodyne O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1 ZINC000014966790 JJ Annotated Anodyne O[C@H](CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1 ZINC000014966794 JJ Annotated Anodyne O[C@@H](CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1 ZINC000014966925 JJ Annotated Anodyne O[C@H](CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1 ZINC000014966929 JJ Annotated Anodyne CCC1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969889 JJ Annotated Anodyne CC(C)[C@H]1N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969922 JJ Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C(C)C)OC[C@]54C)C[C@H]3C(=O)C[C@]12C ZINC000014969940 JJ Annotated Anodyne C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1 ZINC000014971884 JJ Annotated Anodyne CSc1ccc(-c2c([C@@H]3CCC(F)(F)C[C@H]3C(=O)NCC#N)nnn2Cc2ccccc2)cc1 ZINC000014972369 JJ Annotated Mild CCC[C@H](N)C(=O)NC[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(OC[C@H](C)CCC)cc1 ZINC000145134044 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)CCC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145134245 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)[C@@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145136600 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@H](N)[C@@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145136795 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)[C@@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145208935 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)[C@@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145209129 JJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)[C@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145359773 JJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC(=O)[C@@H](N)[C@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145359991 JJ Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@@H]4OC(=O)[C@@H](OC(C)=O)[C@H]3[C@H](OC(=O)CC(C)C)O4)[C@H]12 ZINC000145385352 JJ Annotated Mild Cc1nc2ncc(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCC(O)CC6)c5)nccc34)cc2[nH]1 ZINC000145431191 JJ Annotated Anodyne CCOC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)C(C)C ZINC000145477055 JJ Annotated Anodyne CCOC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)C(C)C ZINC000145477268 JJ Annotated Anodyne Cc1ccn(CC(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000145478695 JJ Annotated Anodyne Cc1ccn(CC(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000145478921 JJ Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145489671 JJ Annotated Anodyne COC(=O)[C@@H]1CCCN1C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145490547 JJ Annotated Anodyne COC(=O)C(C)(C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145495236 JJ Annotated Anodyne C[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(=O)O ZINC000145503782 JJ Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cnc5nccnc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145503878 JJ Annotated Anodyne C[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(=O)O ZINC000145504008 JJ Annotated Anodyne C[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(=O)O ZINC000145504194 JJ Annotated Anodyne C[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(=O)O ZINC000145504408 JJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)C(=O)O ZINC000145507739 JJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)C(=O)O ZINC000145507923 JJ Annotated Anodyne CC(C)OC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145511081 JJ Annotated Anodyne CC(C)OC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145511285 JJ Annotated Anodyne CNc1cncc(-c2cccc3c(-c4ccc(C(N)=O)c(NC5CCC(O)CC5)c4)nccc23)c1 ZINC000145521552 JJ Annotated Anodyne NC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cccnc5)c4)cccc23)cn1 ZINC000145526318 JJ Annotated Anodyne NC(=O)c1ccc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cccnc5)c4)cccc23)cc1N ZINC000145534136 JJ Annotated Anodyne COc1cncc(-c2cccc3c(-c4ccc(C(N)=O)c(NC5CCC(O)CC5)c4)nccc23)c1 ZINC000145542147 JJ Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3nc(C)c(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 ZINC000145549999 JJ Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3nc(C)c(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 ZINC000145550232 JJ Annotated Anodyne CC(C)(C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)C(=O)O ZINC000145557635 JJ Annotated Anodyne CC(C)(C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)C(=O)O ZINC000145557839 JJ Annotated Anodyne Cc1cc2c(-n3cnc(-c4cnn(C)c4)c3)cccc2c(-c2ccc(C(N)=O)c(NCC3CC3)c2)n1 ZINC000145563534 JJ Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)nccc34)cn2)cn1 ZINC000145572530 JJ Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(F)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145573554 JJ Annotated Anodyne Cc1cc2c(-n3cnc(-c4cnn(C)c4)c3)cccc2c(-c2ccc(C(N)=O)c(NC(C)C)c2)n1 ZINC000145576500 JJ Annotated Anodyne COC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)C(C)(C)C ZINC000145576708 JJ Annotated Anodyne COC(=O)[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)C(C)(C)C ZINC000145576921 JJ Annotated Anodyne Cc1cc(C(N)=O)ccc1-c1cc(C(F)(F)F)nc2c(-n3cnc(-c4cnn(C)c4)c3)cccc12 ZINC000145578536 JJ Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C ZINC000145579036 JJ Annotated Anodyne COC(=O)[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C ZINC000145579229 JJ Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C ZINC000145579441 JJ Annotated Anodyne COC(=O)[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C ZINC000145579641 JJ Annotated Anodyne CCOC(=O)C1(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1 ZINC000145585663 JJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1)C(=O)OC ZINC000145586215 JJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1)C(=O)OC ZINC000145586407 JJ Annotated Anodyne Cc1ccc(F)cc1[C@@H]1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 ZINC000145594253 JJ Annotated Anodyne Cc1ccc(F)cc1[C@H]1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 ZINC000145594438 JJ Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)ccnc34)cn2)cn1 ZINC000145620642 JJ Annotated Anodyne CCc1c(CCNC/C=C\C=C\CNCCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000145652560 JJ Annotated Anodyne C[C@]1(C(=O)O)CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 ZINC000145659577 JJ Annotated Anodyne C[C@@]1(C(=O)O)CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 ZINC000145659775 JJ Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(CNC(=O)CN4CCCC4=O)s3)ccc2O1 ZINC000145669082 JJ Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(CNC(=O)CN4CCCC4=O)s3)ccc2O1 ZINC000145669267 JJ Annotated Anodyne COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000145752771 JJ Annotated Anodyne COc1cc2ncc3c(c2cc1OCc1ccccc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C ZINC000145855733 JJ Annotated Anodyne O=C1Cc2c(ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)CC5)n3)c2F)N1 ZINC000145963600 JJ Annotated Anodyne CN1Cc2cccc(Oc3nc(Nc4ccc(O[C@H]5CCOC5)cc4)ncc3C(F)(F)F)c2C1=O ZINC000146002448 JJ Annotated Anodyne CCC/C=C\c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146030719 JJ Annotated Anodyne CCC/C=C\c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146030934 JJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3ccnc(C#N)c3)C4)n[nH]c2c1 ZINC000146125360 JJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccsn3)C4)n[nH]c2c1 ZINC000146137450 JJ Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146193661 JJ Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146193856 JJ Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cccnc3C#N)C4)n[nH]c2c1 ZINC000146249816 JJ Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146292660 JJ Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146292842 JJ Annotated Anodyne C=C[C@H]1CN2CC[C@]3(C(=O)Nc4cc(O)ccc43)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000146392527 JJ Annotated Mild NC(=O)c1ccc(-c2nccc3c(-c4cnc5nc[nH]c5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000146483445 JJ Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ccc(C4CCOCC4)nn3)c2)ccc1OC1CCOCC1 ZINC000146504918 JJ Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(CCC4CCNCC4)c3)c2)ccc1OC1CCOCC1 ZINC000146507342 JJ Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cncc(C4=CCCCO4)n3)c2)ccc1OC1CCOCC1 ZINC000146605569 JJ Annotated Anodyne O=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccn5)C5CC5)cc34)cc2)CC1 ZINC000146860790 JJ Annotated Anodyne Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2)cn1 ZINC000146963580 JJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn([C@@H]5CCOC5)c4)ccn23)c1 ZINC000146981181 JJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnn([C@H]5CCOC5)c4)ccn23)c1 ZINC000146981388 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000146981829 JJ Annotated Anodyne NC(=O)c1sccc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000147004104 JJ Annotated Anodyne COc1nc(-c2c(C)ccc3[nH]nc(C)c23)nc2c1CN(c1cc(C3(C)COC3)ccc1C)CC2 ZINC000147015171 JJ Annotated Anodyne COC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl ZINC000147100470 JJ Annotated Anodyne COC(=O)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl ZINC000147100683 JJ Annotated Anodyne COCCNc1c(-c2ccccc2)c([C@H](C)Nc2ncnc(N)c2C#N)nc2ccc(F)cc12 ZINC000147144988 JJ Annotated Anodyne CC1(C)C(=O)C(C(=O)C[C@H]2C3=C(Oc4ccccc42)C(C)(C)C(=O)C(C)(C)C3=O)=C(O)C(C)(C)C1=O ZINC000147175872 JJ Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@@H](C)/C=C/OC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000147282269 JJ Annotated Anodyne in-vitro C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc3ccoc3c2)CCN1C(=O)Cc1coc2ccccc12 ZINC000147382283 JJ Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc3ccoc3c2)CCN1C(=O)Cc1coc2ccccc12 ZINC000147382498 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2c1[C@@H](C)CN(S(=O)(=O)Nc1ncns1)C2 ZINC000147392239 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2c1[C@H](C)CN(S(=O)(=O)Nc1ncns1)C2 ZINC000147392449 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H]([C@H](c1ccc(Cl)cc1)C(C)C)NCC2 ZINC000147452555 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H]([C@H](c1ccc(Cl)cc1)C(C)C)NCC2 ZINC000147452767 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H]([C@@H](c1ccc(Cl)cc1)C(C)C)NCC2 ZINC000147453001 JJ Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H]([C@@H](c1ccc(Cl)cc1)C(C)C)NCC2 ZINC000147453194 JJ Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ccc(Cl)s5)c(F)c4s3)o2)CC1 ZINC000147453654 JJ Annotated Mild CC1(C)c2[nH]nc(Nc3cc(C(F)(F)F)ccn3)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000147499238 JJ Annotated Anodyne CC1(C)c2[nH]nc(Nc3cc(C(F)(F)F)ccn3)c2CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000147802102 JJ Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000147807483 JJ Annotated Reactive O=CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccn5)C5CC5)cc34)cc2)CC1 ZINC000147965766 JJ Annotated Anodyne COc1cc(OC)cc(-c2nnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)o2)c1 ZINC000148024397 JJ Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(Cc3ccccc3)o2)C1=O ZINC000148024851 JJ Annotated Anodyne CC(C)[C@@H](CNC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccn1 ZINC000148190390 JJ Annotated Anodyne CC(C)[C@H](CNC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccn1 ZINC000148190612 JJ Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(NCC(C)C)nc12 ZINC000148327791 JJ Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@H](c4cccc(Cl)c4)CC3=O)c2)C(=N)N1 ZINC000148376300 JJ Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@@H](c4cccc(Cl)c4)CC3=O)c2)C(=N)N1 ZINC000148376540 JJ Annotated Anodyne N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(CNC4CC4)cc23)nc1 ZINC000148483035 JJ Annotated Mild CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2OCC3)C1 ZINC000148611781 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2N)C1 ZINC000148615439 JJ Annotated Anodyne CCOc1ccccc1CN1CC[C@H](C(=O)N(Cc2cc(F)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148621033 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000148634728 JJ Annotated Anodyne CC(C)c1ccc(CCC(CCc2ccc(C(C)C)cc2)NCCNCCNCCN)cc1 ZINC000148688855 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc(O)c1 ZINC000148697858 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cccc(O)c1 ZINC000148698050 JJ Annotated Anodyne COc1cccc(CNC[C@@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000148698465 JJ Annotated Anodyne COc1cccc(CNC[C@H](C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)c1 ZINC000148698675 JJ Annotated Anodyne CC(C)CN(Cc1cc(F)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc2[nH]ccc12 ZINC000148771569 JJ Annotated Anodyne COc1ccc(N)cc1CNC[C@@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148793778 JJ Annotated Anodyne COc1ccc(N)cc1CNC[C@H](C)C(=O)N(Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)C ZINC000148793976 JJ Annotated Anodyne CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3cc[nH]c23)C1 ZINC000148936240 JJ Annotated Anodyne CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3cc[nH]c23)C1 ZINC000148936454 JJ Annotated Anodyne CC(=O)Nc1cncc(-c2cccc3c(-c4ccc(C(N)=O)c(NC5CCC(O)CC5)c4)nccc23)c1 ZINC000148981292 JJ Annotated Anodyne N#CC1(c2cccnc2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000149025991 JJ Annotated Mild CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C4CC4)nn2C)CC3)[C@H](C)C1 ZINC000149142394 JJ Annotated Anodyne O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@@H](c3ccccc3)CC2)C1 ZINC000149206776 JJ Annotated Anodyne CO/N=C1\[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149214427 JJ Annotated Mild CO/N=C1/[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149216802 JJ Annotated Mild O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)N1CCOCC1 ZINC000149368576 JJ Annotated Anodyne CCOc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)cc(C(F)(F)F)c1 ZINC000149404613 JJ Annotated Anodyne CCOc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)cc(C(F)(F)F)c1 ZINC000149404747 JJ Annotated Anodyne Cc1cc2cc3c(c(C)c2oc1=O)[C@H](O)C[C@@]1(C)[C@@H]2CC[C@@H]4C(=C[C@@]2(O)C[C@@H]31)C=CC(=O)OC4(C)C ZINC000149505904 JJ Annotated Anodyne Cc1cccc(C2(C#N)CCN(Cc3cc4c(c5ccccc35)CN([C@H]3CCCC[C@@H]3O)C4=O)CC2)n1 ZINC000149562852 JJ Annotated Mild CC(=O)Nc1cncc(C(=O)N[C@@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1 ZINC000149635090 JJ Annotated Clean CC(=O)Nc1cncc(C(=O)N[C@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1 ZINC000149635279 JJ Annotated Clean O=C1c2cc(CN3CCC(F)(c4ccccn4)CC3)c3ccccc3c2CN1[C@H]1CCCC[C@@H]1O ZINC000149815670 JJ Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1 ZINC000149867972 JJ Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5cc6ccccc6s5)cc4s3)o2)CC1 ZINC000149908161 JJ Annotated Mild CC(=O)Nc1cncc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1 ZINC000149931563 JJ Annotated Clean CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)co1 ZINC000149932620 JJ Annotated Clean CC(C)n1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4C#N)c3)cnnc21 ZINC000149944666 JJ Annotated Anodyne COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F ZINC000149993271 JJ Annotated Anodyne N=C(N)SCCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc21 ZINC000001541894 JJ Annotated Anodyne COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccc2c(N)noc2c1 ZINC000001544685 JJ Annotated Anodyne Cc1cc(NCCCCNCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 ZINC000001563933 JJ Annotated Anodyne CN(C)c1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1 ZINC000001598064 JJ Annotated Mild C[C@@H](/C=C1\C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000001610827 JJ Annotated Anodyne COC(=O)C1=Cc2cn(S(=O)(=O)c3ccc(C)cc3)c3cccc(c23)[C@H](C=C(C)C)N1C(C)=O ZINC000001616618 JJ Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(Cl)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000001628470 JJ Annotated Clean CCOC(=O)c1s/c(=N\Nc2nc3ccccc3cc2C2OCCO2)n(Cc2ccccc2)c1C ZINC000001631625 JJ Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)OCCBr ZINC000001633670 JJ Annotated Reactive CCOC(=O)c1csc([C@H](CSCc2ccc(OC)cc2)N2C(=O)c3ccccc3C2=O)n1 ZINC000001634823 JJ Annotated Anodyne O=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O ZINC000001635944 JJ Annotated Clean CC(C)(Br)[C@@H](Br)CC[C@@](C)(Br)[C@@H](Br)CO ZINC000001638725 JJ Annotated Reactive Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N/N=C4\SCC(=O)N4C)ncnc32)cc1 ZINC000001642615 JJ Annotated Mild O=c1c(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)c(-c2ccccc2)oc2ccccc12 ZINC000001644387 JJ Annotated Mild O=C(Nc1ccccc1)N(C1=NC[C@H](CI)S1)c1ccc(F)c(F)c1 ZINC000001644599 JJ Annotated Reactive O=C1C[C@@]2(CC[C@@](O)(c3cccs3)[C@@H](C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 ZINC000001648841 JJ Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1 ZINC000001650952 JJ Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC ZINC000001652652 JJ Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]cc(C)c32)n(C)c1 ZINC000001653507 JJ Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]cc(C)c32)n(C)c1 ZINC000001653509 JJ Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(OC(C)=O)c2[nH]cc(C)c32)n(C)c1 ZINC000001653511 JJ Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(OC(C)=O)c2[nH]cc(C)c32)n(C)c1 ZINC000001653513 JJ Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 ZINC000001653941 JJ Annotated Reactive O=C(C1=CCC2(CC1)OCCO2)N(Cc1ccccc1)c1ccccc1I ZINC000001654051 JJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC ZINC000001654701 JJ Annotated Reactive COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 ZINC000001654942 JJ Annotated Reactive CC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001655228 JJ Annotated Anodyne CCOC(=O)c1c(SCCN(CC)CC)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001655230 JJ Annotated Anodyne Cc1cc(S(=O)(=O)N=C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(S)cc1Cl ZINC000001655886 JJ Annotated Mild C[C@H](NC(=O)[C@@](Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1 ZINC000001656648 JJ Annotated Anodyne CCN(CC)CCSc1c(C(C)=O)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001656744 JJ Annotated Anodyne N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc6c7ccccc7ccc6c5oc2c34)C1 ZINC000001658939 JJ Annotated Bother N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc6c7ccccc7ccc6c5oc2c34)C1 ZINC000001658940 JJ Annotated Bother O=C(Nc1ccccc1)Nn1c(-c2cccs2)nc2ccc(I)cc2c1=O ZINC000001663579 JJ Annotated Anodyne O=c1c2cc(I)ccc2nc(-c2cccs2)n1/N=C/c1ccccc1 ZINC000001663582 JJ Annotated Mild Cc1cc(OCc2ccccc2)ccc1C(=O)[C@H]1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000001753959 JJ Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1C(=O)[C@@H]1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000001753989 JJ Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1C(=O)[C@@H]1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000001753999 JJ Annotated Anodyne CCCOc1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000001813152 JJ Annotated Anodyne CCCOc1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000001813153 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000001850905 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000001850916 JJ Annotated Anodyne CCc1cc2c(cc1C(=O)CCC(=O)O)CC1(C2)Cc2cc(CC)c(C(=O)CCC(=O)O)cc2C1 ZINC000001855350 JJ Annotated Anodyne CCN(CC)CCCNc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc2cc3ccccc3cc12 ZINC000001858437 JJ Annotated Bother N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(NC(=S)Nc1ccccc1)C2=O ZINC000001859612 JJ Annotated Mild N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccccc2)n(-c2ccccc2)c1N ZINC000001859947 JJ Annotated Reactive O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 ZINC000001860793 JJ Annotated Bother O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)N/N=C/c1ccccc1 ZINC000001860805 JJ Annotated Reactive O=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1 ZINC000001860811 JJ Annotated Bother COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861013 JJ Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861017 JJ Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861030 JJ Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861035 JJ Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861039 JJ Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861044 JJ Annotated Anodyne Cc1ccc(OCCn2cc(Nc3ccccc3)c(=O)n(CCOc3ccc(C)cc3)c2=O)cc1 ZINC000001861269 JJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2cc1OCCN(C)C ZINC000001861418 JJ Annotated Reactive Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000001861419 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000001861427 JJ Annotated Anodyne COC(=O)CC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000001861928 JJ Annotated Anodyne CCCOc1cccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000001881481 JJ Annotated Anodyne CCCOc1cccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000001881489 JJ Annotated Anodyne CCN(CC)c1nc(-c2cc(OC)c(OC)c(OC)c2)cc(-c2cc(OC)c(OC)cc2OC)n1 ZINC000001893097 JJ Annotated Anodyne CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N ZINC000001902563 JJ Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCCCOc2no[n+]([O-])c2Sc2ccccc2)cc1 ZINC000001908342 JJ Annotated Anodyne CCOc1ccc(-c2cc3n(Cc4ccccc4)c4c(c(=O)n3n2)CN(C2CCCCC2)C4=O)cc1 ZINC000001915285 JJ Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl ZINC000015115480 JJ Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl ZINC000015115482 JJ Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl ZINC000015115484 JJ Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl ZINC000015115486 JJ Annotated Reactive in-man endogenous CC(=O)O[C@@H](C)CCCCCCCCC[C@H](Cc1cc(O)cc(O)c1C(=O)O)OC(C)=O ZINC000015117870 JJ Annotated Anodyne Oc1cc(O)cc(Oc2c(Oc3c(O)cc(O)cc3O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c1 ZINC000015149368 JJ Annotated Anodyne in-vitro biogenic Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(Oc4c(O)cc(O)cc4O)cc2O3)c1 ZINC000015149371 JJ Annotated Anodyne in-vivo C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC)O[C@@H]3OC(C)=O ZINC000015156082 JJ Annotated Mild in-vitro biogenic C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC)O[C@@H]3OC(C)=O ZINC000015156085 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC)O[C@@H]3OC(C)=O ZINC000015156086 JJ Annotated Mild CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@@H]2O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000015157177 JJ Annotated Anodyne CCCc1c(C(=O)OC)c(OC)cc2cc3c(c(O)c12)C(=O)[C@](C)(CCC(C)=O)C(=O)C3(C)C ZINC000015252588 JJ Annotated Anodyne CC(C)CCCCCCCCC[C@@H](C)C(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C ZINC000015261732 JJ Annotated Bother Oc1ccc(CCc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000015262233 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000015262542 JJ Annotated Anodyne in-vitro biogenic CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)O[C@@H]1O ZINC000015265825 JJ Annotated Mild O=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266888 JJ Annotated Anodyne O=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266894 JJ Annotated Anodyne O=C1NC[C@@H](c2c[nH]c3cc(Br)ccc23)N=C1c1c[nH]c2cc(Br)ccc12 ZINC000015266918 JJ Annotated Anodyne in-vitro O=C1NC[C@@H](c2c[nH]c3cc(Br)ccc23)N[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266927 JJ Annotated Anodyne in-vitro O=C1NC[C@H](c2c[nH]c3cc(Br)ccc23)N[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266929 JJ Annotated Anodyne in-vitro C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000015270612 JJ Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@H](C)[C@@H](C)C2 ZINC000015270619 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000015270773 JJ Annotated Anodyne in-vitro biogenic COc1c(OCC=C(C)C)c(OC)c2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c1OC ZINC000015271809 JJ Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)c(F)c1 ZINC000150030954 JJ Annotated Anodyne CCn1cnc2c(-c3ccc(Cl)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21 ZINC000150034253 JJ Annotated Anodyne Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CN6CCC(F)(F)CC6)cc5[nH]4)c3N)ccc2[nH]1 ZINC000150096958 JJ Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C5CCC5)cc4OC)c3)cnnc21 ZINC000150112283 JJ Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4OC)c3)cnnc21 ZINC000150113600 JJ Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(OC)c1 ZINC000150118734 JJ Annotated Anodyne CCc1cc(C)c(NC(=O)N[C@@H]2CCCOC2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150155171 JJ Annotated Mild CCc1cc(C)c(NC(=O)N[C@H]2CCCOC2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150155397 JJ Annotated Mild N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(C4CCC4)c(NC(=O)N[C@@H]4CCOC4)c3)CC2)cc1 ZINC000150195988 JJ Annotated Mild N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(C4CCC4)c(NC(=O)N[C@H]4CCOC4)c3)CC2)cc1 ZINC000150196890 JJ Annotated Mild CCc1cc(C)c(NC(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150229337 JJ Annotated Mild CCc1cc(C2CC2)c(-c2nnc(OC)[nH]2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150254374 JJ Annotated Anodyne CCc1cc(F)c(-c2nc3c([nH]2)COCC3)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150266772 JJ Annotated Anodyne Cc1cn2nc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)sc2n1 ZINC000150327301 JJ Annotated Anodyne CCc1nc2nc(CSc3nc4ccc(NC(=O)C(CC)CC)cc4s3)cc(O)n2n1 ZINC000015785784 JJ Annotated Anodyne O=C1C(Br)=CC(=CNNC(=O)c2cc3c(ccc4ccccc43)o2)C=C1Br ZINC000015879917 JJ Annotated Reactive Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)c(N)c2)cc1 ZINC000015933777 JJ Annotated Anodyne O=C(NCc1ccccc1)c1ccc(N2CCC3(CC2)CC(c2ccccc2)=NO3)c([N+](=O)[O-])c1 ZINC000015935304 JJ Annotated Bother CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3cccc(Br)c3)no2)(C(=O)O)CC1 ZINC000015935438 JJ Annotated Anodyne Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)c([N+](=O)[O-])c2)cc1 ZINC000015935492 JJ Annotated Bother CCC(CC)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000015936219 JJ Annotated Bother CCC(CC)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] ZINC000015936220 JJ Annotated Bother CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4[C@@H](C)CCC[C@@H]4C)C3)sc2c1 ZINC000015943777 JJ Annotated Anodyne COC1=C/C(=C/C=C2/C=Cc3c(Br)cc(Br)c(O)c3N2)C=CC1=O ZINC000015952578 JJ Annotated Mild COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CSc2ncn[nH]2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000015973820 JJ Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CSc2ncn[nH]2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000015973822 JJ Annotated Anodyne Cc1ccc(/N=C(O)/C(C#N)=c2/s/c(=C\C=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1C ZINC000015973829 JJ Annotated Mild Cc1ccc(/N=C(O)/C(C#N)=c2\s/c(=C/C=C/c3ccccc3)c(=O)n2-c2ccccc2)cc1C ZINC000015973830 JJ Annotated Mild Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 ZINC000015974322 JJ Annotated Reactive CCCCCCOc1ccc(N2C(=O)C[C@@H](S/C(N)=N/N=C(/C)c3cccs3)C2=O)cc1 ZINC000015974428 JJ Annotated Mild CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1[C@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000015974590 JJ Annotated Anodyne COc1ccc(/C=N\n2c(C)nc3c([nH]c4ccccc43)c2=O)cc1CN1CCCC(C)(C)C1 ZINC000015979103 JJ Annotated Mild COc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 ZINC000015986091 JJ Annotated Reactive Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1 ZINC000015986637 JJ Annotated Reactive Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 ZINC000015989487 JJ Annotated Reactive CC[C@@H](C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)[C@H](C)CC)c2O)C1=O ZINC000155917648 JJ Annotated Mild CCOc1ccccc1Sc1ccc(-c2ccnc(N3CCN(C(C)=O)CC3)c2)cc1[N+](=O)[O-] ZINC000016051394 JJ Annotated Bother CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000016052233 JJ Annotated Anodyne in-vivo CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000016052234 JJ Annotated Anodyne in-vivo CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1c(C)c(C#N)c2nc3ccccc3n2c1O ZINC000016249436 JJ Annotated Mild CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cnn(C)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000016527437 JJ Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000016569231 JJ Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000016569232 JJ Annotated Anodyne COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)cc1 ZINC000016570111 JJ Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C(C)C)cc1 ZINC000016570112 JJ Annotated Reactive COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C(C)C)cc1 ZINC000016570113 JJ Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C(C)C)cc1 ZINC000016570114 JJ Annotated Reactive O=C1OC[C@H](c2cccc(Cl)c2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165244901 JJ Annotated Anodyne C=C(CCCC(C)=O)[C@H]1[C@H](CC(=O)OCCCC)C([C@@H](O)CC=C(C)C)=CO[C@@H]1OC(C)=O ZINC000165697022 JJ Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O/C3=C/[C@@](C)(O)CC[C@H](OC(=O)CC(C)C)[C@@]12C ZINC000166247635 JJ Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCc4c(c(C(C)C)nn4C)C3)CC2)ncc1Cl ZINC000166317739 JJ Annotated Anodyne CCCCCCCCCC/C=C/CCC[C@@]1(C)OC(=O)[C@H](CN2C(=O)CC[C@H]2C(=O)OC)[C@@H]1O ZINC000166462669 JJ Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@H](CN2C(=O)CC[C@H]2C(=O)OC)[C@@H]1O ZINC000166463145 JJ Annotated Mild CC(=O)O[C@@H]1[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000166727052 JJ Annotated Anodyne CC[C@H](Br)[C@H]1CC=CC[C@@H]([C@H](C[C@@H](C=C=CBr)OC(C)=O)OC(C)=O)O1 ZINC000166803365 JJ Annotated Reactive NC(=O)c1cccc2c(NCc3cccc(N[C@@H](O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12 ZINC000166966377 JJ Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(N[C@H](O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12 ZINC000166966484 JJ Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(Nc4ccccn4)c3)ncnc12 ZINC000166999471 JJ Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(Nc4ccccn4)c3)ncnc12 ZINC000166999566 JJ Annotated Anodyne O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000167171866 JJ Annotated Anodyne O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 ZINC000167171973 JJ Annotated Anodyne O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000167172069 JJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1 ZINC000167449700 JJ Annotated Anodyne CCN(C)C(=O)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167575408 JJ Annotated Anodyne CCN(C)C(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167575532 JJ Annotated Anodyne O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cc(Cc2ccc(Cl)cc2)n2ccccc12 ZINC000167659734 JJ Annotated Anodyne O=C(NC1CCC1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167826818 JJ Annotated Anodyne O=C(NC1CCC1)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167826925 JJ Annotated Anodyne Cc1ncc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)s2)o1 ZINC000167958145 JJ Annotated Anodyne CCn1c(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc2cc(C#N)ccc21 ZINC000167962230 JJ Annotated Mild O=S(=O)(Cc1ccccc1Cl)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1 ZINC000168354378 JJ Annotated Anodyne CC[C@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000168400510 JJ Annotated Anodyne CC[C@@H](Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000168400612 JJ Annotated Anodyne CC[C@H](Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000168400657 JJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cc(O)cc3F)ccc2F)C1 ZINC000168470460 JJ Annotated Anodyne O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccc(F)cc12 ZINC000168522245 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)Nc3ccc(Br)c(F)c3)cc2)c(CC)c1CC(=O)O ZINC000168938080 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)c(CC)c1CC(=O)O ZINC000168938193 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)c(CC)c1CC(=O)O ZINC000168941584 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)N[C@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)c(CC)c1CC(=O)O ZINC000168941669 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)c(CC)c1CC(=O)O ZINC000168941766 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)N[C@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)c(CC)c1CC(=O)O ZINC000168941857 JJ Annotated Anodyne CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)NC3CCCCC3)C2)C1=O ZINC000169122041 JJ Annotated Anodyne Cc1ccsc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OCCO)c[nH]3)c2)c1 ZINC000169130417 JJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H](C(C)=O)[C@H]([C@@H]4CCCC4=O)C[C@@H]32)C1 ZINC000169290438 JJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)[C@H]([C@@H]5CCCC5=O)C[C@H]4[C@@H]3CC[C@@H]2C1 ZINC000169290439 JJ Annotated Anodyne C=C(C(=O)O[C@H]1C(=O)C2=C(C)CC[C@@H]3C(=C)C(=O)O[C@@H]3[C@H]2[C@]1(C)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000169290634 JJ Annotated Mild CC(=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C)/C=C/[C@@H](O)C(C)(C)O ZINC000169290966 JJ Annotated Mild CC(=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C)/C=C/[C@H](O)C(C)(C)O ZINC000169290968 JJ Annotated Mild CC(=O)O[C@H]1C(=O)C=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@@H](OC(=O)c3ccccc3)[C@]21C ZINC000169291665 JJ Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292191 JJ Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292192 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292193 JJ Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(C(C)C)cc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292194 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@H]2O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000169292418 JJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2CCCO)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169292862 JJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2CCCO)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169292863 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\C=C/C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169292864 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/C=C\C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169292865 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)CC(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169292950 JJ Annotated Anodyne CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[C@@H](C)C/C=C\[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000169293001 JJ Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C\[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000169293002 JJ Annotated Anodyne CC(=O)O[C@@H]1/C=C\[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213 ZINC000169293003 JJ Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C\C[C@H](C)C[C@H](C)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169293004 JJ Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C\C[C@H](C)C[C@H](C)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169293005 JJ Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@H](C)/C=C\[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169293006 JJ Annotated Mild O=C(CN1CCC(O)CC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169293103 JJ Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(/C)C=O)[C@@]3(C)CC[C@H]21 ZINC000169293733 JJ Annotated Reactive C[C@@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]2C[C@@H]2NCC[C@@H]3c4ccccc4N1[C@H]23 ZINC000169293999 JJ Annotated Anodyne C[C@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]2C[C@@H]2NCC[C@@H]3c4ccccc4N1[C@H]23 ZINC000169294000 JJ Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C ZINC000169294477 JJ Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169294731 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1O ZINC000169295496 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1O ZINC000169295497 JJ Annotated Anodyne COc1cccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000169295541 JJ Annotated Mild C[C@@H]1C[C@@H](C)CN(CCNC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1 ZINC000169295961 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCNC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1 ZINC000169295962 JJ Annotated Anodyne C[C@H]1C[C@H](C)CN(CCNC[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1 ZINC000169295963 JJ Annotated Anodyne C[C@@H](CN1C[C@@H]2CC[C@@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000169295973 JJ Annotated Anodyne C[C@H](CN1C[C@@H]2CC[C@@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000169295974 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000169296019 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000169296020 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)[C@]34C[C@H]5C[C@@](Br)(C3)C[C@](C)(C5)C4)CC2)nc1 ZINC000169296660 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)[C@]34C[C@@H]5C[C@](Br)(C[C@](C)(C5)C3)C4)CC2)nc1 ZINC000169296661 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)[C@]34C[C@@H]5C[C@@](Br)(C3)C[C@](C)(C5)C4)CC2)nc1 ZINC000169296662 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298633 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298634 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000169298730 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000169298731 JJ Annotated Anodyne CN1CCN(C23C[C@H](NCCCN4CCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298858 JJ Annotated Anodyne CN1CCN(C23CCN(CCCN4CCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298864 JJ Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000169299062 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000169299064 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C\C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000169299066 JJ Annotated Reactive Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169299268 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169299270 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169299271 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000169299451 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000169299452 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000169299453 JJ Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169300549 JJ Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169300550 JJ Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169300552 JJ Annotated Anodyne CC1=C[C@@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300821 JJ Annotated Mild CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300822 JJ Annotated Mild CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000169300823 JJ Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]21 ZINC000169300824 JJ Annotated Mild CC[C@@]1(O)[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O[C@@]12C[C@H](C)C(C)(C)O2 ZINC000169302234 JJ Annotated Anodyne CC[C@@]1(O)[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O[C@]12C[C@H](C)C(C)(C)O2 ZINC000169302235 JJ Annotated Anodyne CC(=O)O[C@H]1C=CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@H]4CC(C)=C(C)C(=O)O4)[C@@H]3C[C@H]3O[C@]132 ZINC000169302254 JJ Annotated Mild C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](NCCN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000169302272 JJ Annotated Anodyne C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](NCCN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000169302273 JJ Annotated Anodyne CC(=O)OC[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302368 JJ Annotated Anodyne CC(=O)OC[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302369 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3ncccc3n2Cc2cccc(C)n2)cc1OCC ZINC000169302598 JJ Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(Br)cc3)[C@@H]21 ZINC000169302814 JJ Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(Br)cc3)[C@H]21 ZINC000169302816 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3cccnc3n2Cc2cccc(C)n2)cc1OCC ZINC000169303145 JJ Annotated Anodyne CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@@H]1Nc1ccc(Br)cc1Br ZINC000169304918 JJ Annotated Clean CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000169304973 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169305899 JJ Annotated Mild CC1=C[C@@H]2[C@@H]3C(=O)N(NC(=S)Nc4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169305912 JJ Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(NC(=S)Nc4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169305913 JJ Annotated Anodyne CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169305914 JJ Annotated Anodyne CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000169305915 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000169305944 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000169305945 JJ Annotated Mild Cc1ccc2[nH]c(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc2c1 ZINC000169307034 JJ Annotated Anodyne C/C1=C/[C@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169307081 JJ Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CSC34CCCCC4)nc12 ZINC000169307149 JJ Annotated Anodyne COc1cc(Cc2nc(-c3sc4ccccc4c3OC3CCNCC3)no2)cc(OC)c1 ZINC000169307409 JJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C\[C@H]3[C@H](C/C=C(/C)[C@H](O)[C@H]12)C3(C)C ZINC000169307802 JJ Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C/[C@H]3[C@H](C/C=C(\C)[C@H](O)[C@H]12)C3(C)C ZINC000169307804 JJ Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C\[C@H]3[C@H](C/C=C(\C)[C@H](O)[C@H]12)C3(C)C ZINC000169307806 JJ Annotated Mild CC(=O)O[C@H]1/C(C)=C\C[C@H]2[C@H](/C=C(/C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C ZINC000169307819 JJ Annotated Mild CC(=O)O[C@H]1/C(C)=C/C[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C ZINC000169307821 JJ Annotated Mild CC(=O)O[C@H]1/C(C)=C/C[C@H]2[C@H](/C=C(/C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C ZINC000169307822 JJ Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000169308138 JJ Annotated Mild C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000169308140 JJ Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000169308141 JJ Annotated Mild C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000169308143 JJ Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)C3c4ccccc4-c4ccccc43)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308365 JJ Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccc(C(F)(F)F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308376 JJ Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc4c(c3)Cc3ccccc3-4)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308388 JJ Annotated Reactive C#CCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3ccc21 ZINC000169308520 JJ Annotated Mild CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H](C)CC[C@@]2(C)C(=O)CCC[C@H]21)OC(C)=O ZINC000169308914 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCCC(=O)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000169308917 JJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C\[C@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000169309086 JJ Annotated Mild CC1(C)CCC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)C1 ZINC000169309288 JJ Annotated Anodyne CC1(C)CCC[C@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)C1 ZINC000169309289 JJ Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC000169309328 JJ Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(F)(F)F ZINC000169309329 JJ Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(F)cc2F)no1)C(F)(F)F ZINC000169309662 JJ Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(F)cc2F)no1)C(F)(F)F ZINC000169309663 JJ Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F ZINC000169309673 JJ Annotated Bother O=C(O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F ZINC000169309674 JJ Annotated Bother CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000169309985 JJ Annotated Mild CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000169309987 JJ Annotated Mild CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000169309989 JJ Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 ZINC000169310620 JJ Annotated Reactive Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 ZINC000169310621 JJ Annotated Reactive Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CCC4)c2Cl)cc1 ZINC000169310622 JJ Annotated Reactive Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)N(c4cccnc4)C4=C3C(=O)CCC4)c2Cl)cc1 ZINC000169310623 JJ Annotated Reactive CCCC(=O)N1CC(=O)/C(=C(\CCCCc2ccccc2)NC2CC(C)(C)N(C)C(C)(C)C2)C1=O ZINC000169310888 JJ Annotated Mild CCOC(=O)C1=C(C)N=C2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)OCC)C(O)=C2[C@@H]1c1ccccn1 ZINC000169311080 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3cccc(OC)c3)[C@H](C(=O)OCC)C(O)=C2[C@@H]1c1ccccn1 ZINC000169311082 JJ Annotated Anodyne CC(C)c1cc(-n2nncc2-c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(O)cc1O ZINC000169311403 JJ Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(Cc3ccccc3)[nH]2)C1=O ZINC000169311888 JJ Annotated Anodyne COc1cc(OC)cc(-c2nnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)[nH]2)c1 ZINC000169311891 JJ Annotated Anodyne Cc1cc(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OCC(C)(C)C(=O)O)[n+]([O-])c3)cc2n1 ZINC000169312637 JJ Annotated Anodyne Cn1cc(-c2cnc(N3CCC(C#N)CC3)c3nc(Cc4ccc(Cl)cc4Cl)[nH]c23)cn1 ZINC000169313006 JJ Annotated Mild CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000169313164 JJ Annotated Mild CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000169313165 JJ Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(c(Cl)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313192 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000169313370 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000169313371 JJ Annotated Mild CCOC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@@H](C(=O)OCC)C(O)=C2[C@@H]1c1ccccn1 ZINC000169313741 JJ Annotated Anodyne CCOC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)cc3)[C@H](C(=O)OCC)C(O)=C2[C@@H]1c1ccccn1 ZINC000169313744 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169313755 JJ Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169313756 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000169313757 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314384 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC=O)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314385 JJ Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(C)=O)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314386 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)C[C@](C)(O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314391 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)CC(=O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314394 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)C/C(=N\O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314396 JJ Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)CC(=O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314398 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C/C(=N/O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314399 JJ Annotated Mild O=C1[C@H]([C@@H](O)c2ccc3c(c2)OC[C@@H](COCc2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000169314412 JJ Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3c(c2)OC[C@@H](COCc2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000169314415 JJ Annotated Anodyne CN1CCC/C1=N\C(=O)Nc1c(Br)cc(Br)cc1Br ZINC000169315550 JJ Annotated Mild CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(C)cc3)N(C(C)=O)[C@@H](c3ccc(C)cc3)[C@@H]2C)S1 ZINC000169315884 JJ Annotated Anodyne CN(C(=O)Nc1ccccc1Cl)c1ncnc2c1ncn2C(=O)Nc1ccccc1Cl ZINC000169317205 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](C[C@@H](C)O)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320052 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](C[C@H](C)O)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320053 JJ Annotated Anodyne CCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@@H]2Cc1ccc(C(F)(F)F)cc1 ZINC000169320959 JJ Annotated Anodyne O=C(OC[C@@H](O)CO)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169321227 JJ Annotated Anodyne O=C(OC[C@H](O)CO)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169321229 JJ Annotated Anodyne O=C(OC[C@@H](O)CO)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169321230 JJ Annotated Anodyne O=C(OC[C@H](O)CO)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169321232 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 ZINC000169321483 JJ Annotated Reactive O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(Cl)cc4)cc3c(=O)c2c1 ZINC000169321923 JJ Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(Cl)cc4)cc3c(=O)c2c1 ZINC000169321926 JJ Annotated Bother CN(C)CCSSCCC(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000169324338 JJ Annotated Reactive NC(=O)c1cccc(-c2c(-c3ccccc3)oc(=O)c3c2nn2c(-c4ccccc4)ccnc32)c1 ZINC000169324560 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324623 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(Br)c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324629 JJ Annotated Anodyne COC(=O)/C=C1/S/C(=N\C(=O)c2ccc(Cl)cc2)N(c2cccc(Cl)c2Cl)C1=O ZINC000169324799 JJ Annotated Mild CC(C)(C)c1ccc(-n2[nH]c(N)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1 ZINC000169324901 JJ Annotated Clean COC(=O)CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S ZINC000169325274 JJ Annotated Clean Cc1c(CN2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cccc1Oc1cc(F)cc(Cl)c1 ZINC000169325515 JJ Annotated Anodyne CCOc1c(CN2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cccc1Oc1cc(F)cc(Cl)c1 ZINC000169325519 JJ Annotated Anodyne Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cc(F)cc(Cl)c4)c3Cl)C2)c(=O)[nH]c1=O ZINC000169325524 JJ Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000169326073 JJ Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN([C@@H]2CCCC[C@H]2O)C3=O)CC1 ZINC000169326075 JJ Annotated Mild COC(=O)c1csc(-c2csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n2)n1 ZINC000169326225 JJ Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)[C@H](OC(=O)[C@@H](C)CC)[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)C[C@@H]12 ZINC000169326267 JJ Annotated Mild COc1cc(-c2c3c4cc(OC)c(O)cc4[nH]c(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000169326330 JJ Annotated Bother O=C(CSc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1)c1ccccc1 ZINC000169326350 JJ Annotated Bother Cc1ccc(NC(=O)CSc2nc3ccc(NS(=O)(=O)CC(F)(F)F)cc3s2)cc1 ZINC000169326369 JJ Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000169327652 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000169327655 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc4c(c2)OCO4)[C@@]13C(=O)O ZINC000169327657 JJ Annotated Mild O=C1O/C(=C\Cn2cc(Cc3ccccc3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000169327682 JJ Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@H]2O)C3=O)CC1 ZINC000169327696 JJ Annotated Mild N#CC1(c2ccncc2)CCN(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)CC1 ZINC000169327698 JJ Annotated Mild COc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3cnc(C)c3)c(C#N)c(N)n2)cc1 ZINC000169327788 JJ Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(OCC)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327905 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327951 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327954 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(Br)c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327956 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(Br)c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327960 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169328752 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(/C=C/c2cccc(O)c2)nc(N)c1C#N ZINC000169328944 JJ Annotated Mild Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(O)c(CCC(=O)O)c2)cc1 ZINC000169329504 JJ Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000169329760 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000169329764 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2cccnc2)[C@@]13C(=O)O ZINC000169329768 JJ Annotated Mild COc1cc(CN2CCN([C@@H](c3ccccc3Cl)[C@@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000169330038 JJ Annotated Anodyne COc1cc(CN2CCN([C@H](c3ccccc3Cl)[C@@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000169330040 JJ Annotated Anodyne COc1cc(CN2CCN([C@@H](c3ccccc3Cl)[C@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000169330041 JJ Annotated Anodyne COc1cc(CN2CCN([C@H](c3ccccc3Cl)[C@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000169330042 JJ Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2CCCC[C@@H]2N1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169330265 JJ Annotated Anodyne O=C(NC[C@@H]1CC[C@H]2CCCC[C@@H]2N1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169330267 JJ Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(C)CCC2=O ZINC000169330396 JJ Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(C)CCC2=O ZINC000169330398 JJ Annotated Anodyne Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C ZINC000169330409 JJ Annotated Clean Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330537 JJ Annotated Clean Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330541 JJ Annotated Clean CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCCCC2)[C@@H]1c1ccccc1 ZINC000169331287 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)N2CCCCC2)[C@@H]1c1ccccc1 ZINC000169331288 JJ Annotated Anodyne O=C(NC[C@@H]1CCc2ccccc2N1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169331507 JJ Annotated Anodyne O=C(NC[C@H]1CCc2ccccc2N1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169331510 JJ Annotated Anodyne C=C1C[C@H](O)/C=C\C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169331523 JJ Annotated Mild C=C1C[C@H](O)/C=C\C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169331526 JJ Annotated Mild CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169331716 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169331718 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)n2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169332270 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)n2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000169332273 JJ Annotated Anodyne C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)c5cc(N)ccc45)cc3)cc2)cc1 ZINC000169332629 JJ Annotated Anodyne Cc1ccnc(C2(C#N)CCN(Cc3cc4c(c5ccccc35)CN([C@H]3CCCC[C@@H]3O)C4=O)CC2)c1 ZINC000169332699 JJ Annotated Mild CC(=O)CCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CCCC(C)=O)cc2)cc1 ZINC000169333013 JJ Annotated Mild C/C1=C\C[C@@H](c2ccc3c(c2)ncn3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000169334318 JJ Annotated Anodyne COc1ccc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C(C)C)cc1OCCO ZINC000169334514 JJ Annotated Anodyne COc1ccc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C2CC2)cc1OCCCO ZINC000169334516 JJ Annotated Anodyne C/C1=C\C[C@@H](c2ccc3c(c2)nc(C)n3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000169334680 JJ Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(Cc4ccccc4)CC2)O3)CC1 ZINC000169335988 JJ Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(Cc4ccccc4)CC2)O3)CC1 ZINC000169335990 JJ Annotated Anodyne Cc1ccc(C(F)(F)F)nc1CNCc1cc2c(C3CC3)nn(-c3ccccc3)c2[nH]c1=O ZINC000169336065 JJ Annotated Anodyne CSc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 ZINC000169336106 JJ Annotated Clean O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc2ccccc12)c1cccc2c1OCCO2 ZINC000169337280 JJ Annotated Bother CC(C)(C)N(C[C@@H]1CCCCN1)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169339417 JJ Annotated Anodyne CC(C)(C)N(C[C@H]1CCCCN1)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169339418 JJ Annotated Anodyne CS(=O)(=O)c1ccc2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 ZINC000169339432 JJ Annotated Bother CS(=O)(=O)c1ccc2cc([C@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 ZINC000169339435 JJ Annotated Bother CS(=O)(=O)c1ccc2cc([C@@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 ZINC000169339439 JJ Annotated Bother CS(=O)(=O)c1ccc2cc([C@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 ZINC000169339442 JJ Annotated Bother CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccc(Cl)cc23)c(OC)c1 ZINC000169339484 JJ Annotated Clean C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2cc(Br)ccc21 ZINC000169339486 JJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2ccc(Br)cc12 ZINC000169339492 JJ Annotated Clean CCS(=O)(=O)Nc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 ZINC000169340012 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 ZINC000169340014 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000169340016 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000169340017 JJ Annotated Anodyne CC(=O)C(C(C)=O)[C@@H](Sc1ccccc1C(=O)O)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000169340626 JJ Annotated Anodyne CC(=O)C(C(C)=O)[C@H](Sc1ccccc1C(=O)O)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000169340628 JJ Annotated Anodyne N/C(=N\N=C1\C=C(Nc2ccc(F)cc2)C(Nc2ccc(F)cc2)=NC1=O)SCc1ccccc1 ZINC000169341108 JJ Annotated Mild CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)Br)[C@@H]1c1ccccc1 ZINC000169341316 JJ Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)Br)[C@@H]1c1ccccc1 ZINC000169341319 JJ Annotated Reactive COc1cccc([C@@H]2[C@@H](C)C[C@@H]3CC(=O)N[C@@H](c4cccc(OC)c4)[C@@H](C)C/C=C\C(=O)N23)c1 ZINC000169341440 JJ Annotated Anodyne COc1cccc([C@@H]2[C@@H](C)C[C@@H]3CC(=O)N[C@@H](c4cccc(OC)c4)[C@@H](C)C/C=C/C(=O)N23)c1 ZINC000169341442 JJ Annotated Anodyne COc1cccc([C@@H]2NC(=O)C[C@H]3C[C@H](C)[C@H](c4cccc(OC)c4)N3C(=O)/C=C\C[C@@H]2C)c1 ZINC000169341444 JJ Annotated Anodyne COc1cccc([C@@H]2NC(=O)C[C@H]3C[C@H](C)[C@H](c4cccc(OC)c4)N3C(=O)/C=C/C[C@@H]2C)c1 ZINC000169341447 JJ Annotated Anodyne O=C(NC1=C(c2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc2C1=O)c1ccccc1F ZINC000169341558 JJ Annotated Mild CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3c2CCC3)c(F)c1 ZINC000169341682 JJ Annotated Anodyne CN1OC[C@@H]2CN(C(=S)Nc3ccc(C#N)cc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000169341857 JJ Annotated Mild Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC5CCCC5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342759 JJ Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1 ZINC000169342760 JJ Annotated Anodyne CN1CCC(=O)[C@@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000169342820 JJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000169342821 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342946 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169343132 JJ Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169343134 JJ Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169343137 JJ Annotated Anodyne O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/Cn3ccnc3)ccc1C2)c1ccc(Cl)s1 ZINC000169345855 JJ Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCCCCO2 ZINC000169345994 JJ Annotated Anodyne CC1(C)COC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)OC1 ZINC000169345996 JJ Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCC1(CC1)CO2 ZINC000169346002 JJ Annotated Anodyne O=C1OC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1CC1CC1 ZINC000169346015 JJ Annotated Anodyne CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C)cc3)n2c1=O ZINC000169346551 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)c2ccccc2C(=O)O)[C@@H]1C/C=C1\C=COC1=O ZINC000169346722 JJ Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(C)cc1 ZINC000169346923 JJ Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(F)cc1 ZINC000169346924 JJ Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000169346938 JJ Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(F)cc1 ZINC000169347580 JJ Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000169347585 JJ Annotated Mild CN(C)Cc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000169347678 JJ Annotated Anodyne S=c1oc(Cc2ccccc2Nc2c(Cl)cccc2Cl)nn1CN1CCNCC1 ZINC000169348060 JJ Annotated Anodyne O=C(O)c1ccc2nc(CCNC(=O)c3cccs3)n(Cc3cccc(C(F)(F)F)c3)c2c1 ZINC000169349756 JJ Annotated Anodyne O=C(NCCc1nc2c(C(=O)O)cccc2n1Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000169349757 JJ Annotated Anodyne C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@]4(CC[C@H]3[C@H](/C=C/c3ccc(-c5cccc(C#N)c5)cn3)[C@H]12)COC(=O)N4 ZINC000169349828 JJ Annotated Mild C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@]4(CC[C@H]3[C@H](/C=C/c3ccc(-c5cccc(C#N)c5)cn3)[C@H]12)COC(=O)N4 ZINC000169349835 JJ Annotated Mild C#CCN1C(=O)[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169350131 JJ Annotated Mild C[C@@H](Oc1ccc2nc(N)n(C[C@@H](O)c3ccc(C(F)(F)F)cc3Cl)c2n1)C(F)(F)F ZINC000169351137 JJ Annotated Anodyne C[C@H](Oc1ccc2nc(N)n(C[C@@H](O)c3ccc(C(F)(F)F)cc3Cl)c2n1)C(F)(F)F ZINC000169351138 JJ Annotated Anodyne C[C@@H](Oc1ccc2nc(N)n(C[C@H](O)c3ccc(C(F)(F)F)cc3Cl)c2n1)C(F)(F)F ZINC000169351140 JJ Annotated Anodyne C[C@H](Oc1ccc2nc(N)n(C[C@H](O)c3ccc(C(F)(F)F)cc3Cl)c2n1)C(F)(F)F ZINC000169351142 JJ Annotated Anodyne COc1ccc(/C=C/c2oc3c(OC)c4occc4c(OC)c3c(=O)c2CN2CCOCC2)cc1 ZINC000169351364 JJ Annotated Anodyne COc1c2occc2c(OC)c2c(=O)c(CN3CCOCC3)c(/C=C/c3ccc(N(C)C)cc3)oc12 ZINC000169351365 JJ Annotated Clean CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000169351534 JJ Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000169351535 JJ Annotated Anodyne CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1 ZINC000169352056 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(O)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352085 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(N)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352087 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(N)nc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352089 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ncccc2C#N)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353237 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(C#N)ccn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353239 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(N)cn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353241 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ncccc2N)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353242 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2N)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353245 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccnc(N)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353246 JJ Annotated Mild CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Br)cc1)n2CCCN1CCCC1=O ZINC000169353535 JJ Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169354244 JJ Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169354245 JJ Annotated Mild C[C@@H](N[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000169354959 JJ Annotated Anodyne CO[C@@H]1C[C@@H]2/C=C(C)/C=C\C=C\C(=O)N[C@@H](c3ccccc3)C/C=C\CC[C@@H](O)C/C(O)=C\2C1=O ZINC000169355285 JJ Annotated Mild CO[C@@H]1C[C@@H]2/C=C(C)\C=C/C=C/C(=O)N[C@@H](c3ccccc3)C/C=C\CC[C@@H](O)C/C(O)=C\2C1=O ZINC000169355286 JJ Annotated Mild CO[C@@H]1C[C@@H]2/C=C(C)/C=C/C=C\C(=O)N[C@@H](c3ccccc3)C/C=C\CC[C@@H](O)C/C(O)=C\2C1=O ZINC000169355287 JJ Annotated Mild CO[C@@H]1C[C@@H]2/C=C(C)\C=C\C=C/C(=O)N[C@@H](c3ccccc3)C/C=C\CC[C@@H](O)C/C(O)=C\2C1=O ZINC000169355288 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@@]21C ZINC000169355538 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@@]21C ZINC000169355539 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@]12C ZINC000169355540 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@]12C ZINC000169355541 JJ Annotated Mild Cc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169357066 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169357067 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169357069 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccccc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169357151 JJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccccc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169357153 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccccc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169357155 JJ Annotated Anodyne CC(C)[C@@H](OCc1ccccc1)[C@@H](C)/C=N\O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169357240 JJ Annotated Mild CC(C)[C@@H](OCc1ccccc1)[C@@H](C)/C=N/O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169357241 JJ Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)/C=N\O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169357242 JJ Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)/C=N/O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169357243 JJ Annotated Mild Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169357465 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169357466 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169357467 JJ Annotated Anodyne CC/C=C/[C@H]1C/C=C\C=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358202 JJ Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C\[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358203 JJ Annotated Anodyne CC/C=C/[C@H]1C/C=C\C=C\[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358204 JJ Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358205 JJ Annotated Anodyne C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C\[C@@H](O)C1)O2 ZINC000169358924 JJ Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C\[C@@H](O)C1)O2 ZINC000169358925 JJ Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@@H](O)C1)O2 ZINC000169358926 JJ Annotated Mild COc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169359257 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169359258 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169359259 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169359961 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169359962 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169359963 JJ Annotated Anodyne C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/c3csc(C)n3)C/C=C\[C@@H](O)C1)O2 ZINC000169360349 JJ Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/c3csc(C)n3)C/C=C\[C@@H](O)C1)O2 ZINC000169360352 JJ Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/c3csc(C)n3)C/C=C/[C@@H](O)C1)O2 ZINC000169360353 JJ Annotated Mild O=C(C[C@@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NS(=O)(=O)c1cccs1 ZINC000169361681 JJ Annotated Anodyne O=C(C[C@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NS(=O)(=O)c1cccs1 ZINC000169361682 JJ Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1)CC2 ZINC000169362361 JJ Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@@]1(O)c1cccc(Cl)c1)CC2 ZINC000169362363 JJ Annotated Anodyne COC(=O)C(C[C@@]1(C)C[C@@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000169362538 JJ Annotated Anodyne COC(=O)C(C[C@]1(C)C[C@@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000169362539 JJ Annotated Anodyne C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C\C=C/C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O ZINC000169362904 JJ Annotated Reactive C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C/C=C\C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O ZINC000169362905 JJ Annotated Reactive C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C\C=C\C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O ZINC000169362906 JJ Annotated Reactive C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)/C(C#N)=C/C=C/C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H]1O ZINC000169362907 JJ Annotated Reactive C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000169362915 JJ Annotated Anodyne CCCc1cc2c(n1Cc1ccco1)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169363161 JJ Annotated Anodyne CCCc1cc2c(n1Cc1ccco1)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169363162 JJ Annotated Anodyne CCCc1cc2c(n1Cc1ccco1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169363163 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CC2 ZINC000169364038 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)/C=C\C(=O)O1 ZINC000169364607 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@@H](C)O)c3)[C@H]3CS[C@@H](CCCCCO)[C@@H]32)c1 ZINC000169364792 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@H](C)O)c3)[C@H]3[C@H](CCCCCO)SC[C@@H]32)c1 ZINC000169364793 JJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C\[C@H](O)C1)O2 ZINC000169365578 JJ Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C\[C@H](O)C1)O2 ZINC000169365579 JJ Annotated Mild Cc1noc(C)c1CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169365768 JJ Annotated Mild Cc1noc(C)c1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169365769 JJ Annotated Mild CC(C)(C)NC(=O)[C@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C ZINC000169367625 JJ Annotated Reactive CC(C)(C)NC(=O)[C@@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C ZINC000169367627 JJ Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(Br)cc2)CC(=O)O1 ZINC000169367863 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@@H]1C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H]12 ZINC000169368863 JJ Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000169368898 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000169369320 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000169369321 JJ Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000169369439 JJ Annotated Anodyne C/C1=C/CC/C=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O ZINC000169369530 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CC/C=C(\C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169369531 JJ Annotated Anodyne C/C1=C/CC/C=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O ZINC000169369532 JJ Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000169369546 JJ Annotated Anodyne C=C(C)[C@@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(/C)CC[C@H]12)OC(C)=O ZINC000169369781 JJ Annotated Mild C=C(C)[C@@H](C[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(/C)CC[C@H]12)OC(C)=O ZINC000169369782 JJ Annotated Mild O=C1C2(Cl)[C@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]24Cl ZINC000169369930 JJ Annotated Anodyne in-man C=C1CC/C=C(\C)CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000169370206 JJ Annotated Mild C/C1=C\C[C@@H](/C(C)=C/c2coc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000169370675 JJ Annotated Anodyne Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)[C@@H](C3=NCCN3)C2)c(Cl)c1 ZINC000169372284 JJ Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000169373148 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000169373149 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)Cc2ccco2)[C@@]13C(=O)O ZINC000169373150 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000169373341 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000169373342 JJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CCN2CCCCC2)[C@@]13C(=O)O ZINC000169373343 JJ Annotated Mild CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169568210 JJ Annotated Clean CN1C[C@H](c2ccc(Br)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169568223 JJ Annotated Clean CN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169568233 JJ Annotated Clean CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169568246 JJ Annotated Clean CC[C@H]1[C@@H](O[C@]2(C)OC[C@H](C)C[C@H]2O)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169621669 JJ Annotated Anodyne CC[C@H]1[C@@H](O[C@]2(C)OC[C@H](C)C[C@@H]2O)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169621670 JJ Annotated Anodyne C[C@H](CC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)[C@@H]1C[C@H]1C ZINC000169621691 JJ Annotated Mild C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@]13[C@H]2[C@H]1[C@]2(C)[C@@H](CC4=C(C)C(=O)O[C@@]413)C(=C)[C@H]1C[C@H]12 ZINC000169656568 JJ Annotated Mild C=C[C@@]1(C)CC2=C(C(=O)[C@@H]1C(=C)C)[C@]1(C)C(=O)[C@@](C)([C@@H]3C[C@H]4[C@@](C)(CCC[C@@]4(C)O)CC3=O)O[C@@H]1O2 ZINC000169658537 JJ Annotated Mild C=CC1=C[C@H]2[C@@H]3C(C)(C)O[C@]4(O)C(=O)[C@]25C[C@]2(O)CCCC(C)(C)[C@H]2CC[C@@]5(C1)C(=O)[C@]34C(C)C ZINC000169662857 JJ Annotated Anodyne CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@]4(Oc5c(c(O)cc6c5C(C)(C)[C@H](C)O6)C(=O)C4=C[C@@H]31)C2=O ZINC000169672590 JJ Annotated Mild C[C@@H](COc1nccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC[C@@H]4N=O)[nH]2)n1)N(C)C ZINC000169686158 JJ Annotated Anodyne C[C@H](COc1nccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC[C@@H]4N=O)[nH]2)n1)N(C)C ZINC000169686159 JJ Annotated Anodyne C[C@@H](COc1nccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC[C@H]4N=O)[nH]2)n1)N(C)C ZINC000169686160 JJ Annotated Anodyne C[C@H](COc1nccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC[C@H]4N=O)[nH]2)n1)N(C)C ZINC000169686161 JJ Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12 ZINC000169686603 JJ Annotated Mild Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OCC(F)(F)F)c12 ZINC000169686604 JJ Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CC3(F)F)c12 ZINC000169686612 JJ Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC[C@H]3CC3(F)F)c12 ZINC000169686613 JJ Annotated Anodyne Cc1ccc(-n2c(O)c(/C=N/c3ccccc3-c3n[nH]c(=S)[nH]c3=O)c3ccccc3c2=O)cc1C ZINC000169688276 JJ Annotated Mild COc1ccc(/C=c2/c(=O)n(-c3nc4ccccc4s3)[nH]/c2=C\Sc2ccc(Cl)cc2)cc1 ZINC000169688540 JJ Annotated Anodyne CCOC(=O)c1ccc(-n2c(O)c3c(c2O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 ZINC000169688651 JJ Annotated Anodyne CCOC(=O)c1ccc(-n2c(O)c3c(c2O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 ZINC000169688652 JJ Annotated Anodyne CCOC(=O)c1c(/N=C/c2c(O)n(-c3ccc(F)cc3)c(=S)[nH]c2=O)sc2c1CCCC2 ZINC000169688663 JJ Annotated Mild CCOC(=O)c1c(/N=C/c2c(O)n(-c3ccccc3F)c(=S)[nH]c2=O)sc2c1CCCC2 ZINC000169688664 JJ Annotated Mild CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(=N)[C@@H](C#N)[C@@H]1c1cccnc1 ZINC000169688709 JJ Annotated Mild CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(=N)[C@H](C#N)[C@@H]1c1cccnc1 ZINC000169688710 JJ Annotated Mild Cc1ccc(-n2c(O)c(/C=N/c3ccccc3-c3n[nH]c(=S)[nH]c3=O)c3ccccc3c2=O)c(C)c1 ZINC000169689140 JJ Annotated Mild CCCOc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1OCC ZINC000169689223 JJ Annotated Anodyne CCCOc1ccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1OCC ZINC000169689224 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000169689249 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000169689250 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000169689251 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000169689252 JJ Annotated Anodyne C/C(=N\NC(=N)Sc1cc(O)n(-c2ccc(Br)cc2)c1O)c1cccs1 ZINC000169689449 JJ Annotated Mild CN/C(=N\c1cc(Cl)ccc1Cl)Sc1cc(O)n(-c2ccc(C(=O)OC)cc2)c1O ZINC000169689452 JJ Annotated Mild O=C(Oc1cccc(C/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1)c1ccco1 ZINC000169689459 JJ Annotated Clean COc1cc(C/N=N/c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC ZINC000169689465 JJ Annotated Clean CCOC(=O)c1ccc(NC(=O)Cc2sc(/N=N/Cc3c[nH]c4ccccc34)nc2O)cc1 ZINC000169689472 JJ Annotated Clean CCCOc1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000169689627 JJ Annotated Anodyne CCCOc1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000169689628 JJ Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2C(=O)O)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000169689729 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@@H]2C(C)=NC(=S)N[C@@H]2c2ccc(CC)cc2)sc(C)c1C ZINC000169689863 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@H]2C(C)=NC(=S)N[C@@H]2c2ccc(CC)cc2)sc(C)c1C ZINC000169689864 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@@H]2C(C)=NC(=S)N[C@H]2c2ccc(CC)cc2)sc(C)c1C ZINC000169689865 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)[C@H]2C(C)=NC(=S)N[C@H]2c2ccc(CC)cc2)sc(C)c1C ZINC000169689866 JJ Annotated Anodyne Cc1ccc(-n2c(O)c3c(c2O)[C@@]2(CNC(=S)Nc4ccc(Cl)cc4)C=C[C@@H]3O2)cc1 ZINC000169689902 JJ Annotated Anodyne Cc1ccc(-n2c(O)c3c(c2O)[C@@]2(CNC(=S)Nc4ccc(Cl)cc4)C=C[C@H]3O2)cc1 ZINC000169689903 JJ Annotated Anodyne Cc1ccc(-n2c(O)c3c(c2O)[C@]2(CNC(=S)Nc4ccc(Cl)cc4)C=C[C@@H]3O2)cc1 ZINC000169689904 JJ Annotated Anodyne Cc1ccc(-n2c(O)c3c(c2O)[C@]2(CNC(=S)Nc4ccc(Cl)cc4)C=C[C@H]3O2)cc1 ZINC000169689905 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000169690238 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000169690239 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)no1 ZINC000169690240 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)no1 ZINC000169690241 JJ Annotated Anodyne CCCOc1cccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169690244 JJ Annotated Anodyne CCCOc1cccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000169690245 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)no1 ZINC000169690253 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)no1 ZINC000169690254 JJ Annotated Anodyne CCOC(=O)Cc1csc(/N=C/c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 ZINC000169690283 JJ Annotated Mild COC(=O)Cc1csc(/N=C/c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)n1 ZINC000169690285 JJ Annotated Mild O=C(O)c1nc(Cl)c(Cl)c(/N=N/[CH-]c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1Cl ZINC000169690354 JJ Annotated Clean C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nccs2)[C@@H](C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000169690426 JJ Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nccs2)[C@H](C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000169690427 JJ Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nccs2)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 ZINC000169690428 JJ Annotated Mild C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2nccs2)[C@H](C#N)[C@H]1c1ccc(Cl)cc1 ZINC000169690429 JJ Annotated Mild O=C1CCCCC/C=C\CCOC(=O)c2c(O)c(Br)c(O)c(Br)c2C1 ZINC000169690478 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)c1cc(O)n(-c2ccccc2)c1O ZINC000169691150 JJ Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccc(-n4c(O)c5c(c4O)[C@@H](C)C=CC5)c3)CC2)c1C ZINC000169691615 JJ Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cccc(-n4c(O)c5c(c4O)[C@H](C)C=CC5)c3)CC2)c1C ZINC000169691616 JJ Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 ZINC000169691876 JJ Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 ZINC000169691877 JJ Annotated Anodyne Oc1c(Br)cc(C/C=N/c2cc(O)c3cccnc3c2O)cc1Br ZINC000169692012 JJ Annotated Mild CN1C(=O)[C@@]2(C3=C(CCCC3=O)N(c3cc(Cl)cc(Cl)c3)C(=N)[C@@H]2C#N)c2ccccc21 ZINC000169693062 JJ Annotated Mild CN1C(=O)[C@]2(C3=C(CCCC3=O)N(c3cc(Cl)cc(Cl)c3)C(=N)[C@@H]2C#N)c2ccccc21 ZINC000169693063 JJ Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1O)N(c1cc(O)n(-c3ccccc3)c1O)CC2 ZINC000169693092 JJ Annotated Clean COc1cc2c(cc1OC)[C@H](c1ccccc1O)N(c1cc(O)n(-c3ccccc3)c1O)CC2 ZINC000169693093 JJ Annotated Clean Cc1ccc(NS(=O)(=O)c2ccc(/N=N/[CH-]c3ccccc3OCC(=O)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000169693833 JJ Annotated Clean CCCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000169693987 JJ Annotated Anodyne CCCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000169693988 JJ Annotated Anodyne O=NOc1ccc(/N=N/Cc2ccc(O)c(O)c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000169694634 JJ Annotated Clean CC(C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694673 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2C2CCCCC2)cc1 ZINC000169694823 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2C2CCCCC2)cc1 ZINC000169694824 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2C2CCCCC2)cc1 ZINC000169694825 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2C2CCCCC2)cc1 ZINC000169694826 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694870 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694871 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694872 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)no4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694873 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4nccs4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694878 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4nccs4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694879 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4nccs4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694880 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4nccs4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694881 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694898 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694899 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694900 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cccnc4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694901 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169694930 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169694931 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169694932 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169694933 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169694958 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169694959 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169694960 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169694961 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169694978 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169694979 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169694980 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169694981 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169694994 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169694995 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000169694996 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000169694997 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695089 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695090 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695091 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695092 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695093 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(=O)O ZINC000169695094 JJ Annotated Anodyne CC(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695095 JJ Annotated Anodyne CC(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(=O)O ZINC000169695096 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695137 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695138 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695139 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695140 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695159 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695160 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695161 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695162 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695202 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695203 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695204 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695205 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695218 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695219 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695220 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695221 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695230 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695231 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695232 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695233 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCN(C)C ZINC000169695234 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCN(C)C ZINC000169695235 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCN(C)C ZINC000169695236 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCN(C)C ZINC000169695237 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695247 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695248 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695249 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695250 JJ Annotated Anodyne COCc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695251 JJ Annotated Anodyne COCc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695252 JJ Annotated Anodyne COCc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695253 JJ Annotated Anodyne COCc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695254 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC#N ZINC000169695315 JJ Annotated Mild CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC#N ZINC000169695316 JJ Annotated Mild CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC#N ZINC000169695317 JJ Annotated Mild CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC#N ZINC000169695318 JJ Annotated Mild CC(=O)N(C)c1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695399 JJ Annotated Anodyne CC(=O)N(C)c1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695400 JJ Annotated Anodyne CC(=O)N(C)c1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695401 JJ Annotated Anodyne CC(=O)N(C)c1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695402 JJ Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695403 JJ Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695404 JJ Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695405 JJ Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695406 JJ Annotated Anodyne COc1cc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000169695433 JJ Annotated Anodyne COc1cc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000169695434 JJ Annotated Anodyne COc1cc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000169695435 JJ Annotated Anodyne COc1cc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]2c2ccccc2OC)ccc1-c1ccsc1 ZINC000169695436 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695453 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695454 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695456 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695458 JJ Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695459 JJ Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695460 JJ Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695461 JJ Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695462 JJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000169695515 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000169695516 JJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000169695517 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N(C)C)c1 ZINC000169695518 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(=O)N(C)C ZINC000169695523 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C(=O)N(C)C ZINC000169695524 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000169695525 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000169695526 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695531 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695532 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695533 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695534 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695542 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695543 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695545 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695547 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695558 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695559 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695560 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695561 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695566 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695567 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695568 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695569 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695604 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695605 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695606 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695607 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695608 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695609 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695610 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695611 JJ Annotated Anodyne COCCOc1cccc([C@@H]2[C@@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695660 JJ Annotated Anodyne COCCOc1cccc([C@H]2[C@@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695661 JJ Annotated Anodyne COCCOc1cccc([C@@H]2[C@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695662 JJ Annotated Anodyne COCCOc1cccc([C@H]2[C@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695663 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695692 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695693 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695694 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695695 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695733 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OC(F)F ZINC000169695734 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695735 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OC(F)F ZINC000169695736 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695773 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695774 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695775 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169695776 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695777 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695778 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695779 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000169695780 JJ Annotated Anodyne COCc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695801 JJ Annotated Anodyne COCc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695802 JJ Annotated Anodyne COCc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695803 JJ Annotated Anodyne COCc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695804 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695817 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695818 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695819 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)s1 ZINC000169695820 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695882 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695883 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695884 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695885 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695890 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695891 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695892 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695893 JJ Annotated Anodyne COCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695894 JJ Annotated Anodyne COCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695895 JJ Annotated Anodyne COCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695896 JJ Annotated Anodyne COCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695897 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695930 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695931 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695932 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169695933 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695958 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695959 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695960 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695961 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695962 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695963 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695964 JJ Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695965 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695986 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695987 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695988 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)cs1 ZINC000169695989 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)o1 ZINC000169696026 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)o1 ZINC000169696027 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)o1 ZINC000169696028 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OCCO)cc2)o1 ZINC000169696029 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696034 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696035 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696036 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696037 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696038 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696039 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696040 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2coc(C)n2)cc1 ZINC000169696041 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696054 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696055 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696056 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)o1 ZINC000169696057 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696062 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696063 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696064 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696065 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696086 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696087 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696088 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696089 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(C3=NCCS3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169696098 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(C3=NCCS3)cc2)[C@@H]1c1ccccc1OC(C)C ZINC000169696099 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(C3=NCCS3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169696100 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(C3=NCCS3)cc2)[C@H]1c1ccccc1OC(C)C ZINC000169696101 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696126 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696127 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696128 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696129 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696130 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696131 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696132 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696133 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696134 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696135 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696136 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696137 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696138 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696139 JJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696140 JJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696141 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCCO ZINC000169696150 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCCO ZINC000169696151 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCCO ZINC000169696152 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCCCO ZINC000169696153 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1C(=O)N(C)C ZINC000169696154 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1C(=O)N(C)C ZINC000169696155 JJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000169696156 JJ Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1C(=O)N(C)C ZINC000169696157 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1N1CCOCC1 ZINC000169696196 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1N1CCOCC1 ZINC000169696197 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000169696198 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000169696199 JJ Annotated Anodyne CC(C)COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696226 JJ Annotated Anodyne CC(C)COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696227 JJ Annotated Anodyne CC(C)COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696228 JJ Annotated Anodyne CC(C)COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696229 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696230 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696231 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696232 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696233 JJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696262 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696263 JJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696264 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)c2cccnc2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696265 JJ Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696301 JJ Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696302 JJ Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696303 JJ Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696304 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3cccnc3OC(C)C)cc2)o1 ZINC000169696329 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3cccnc3OC(C)C)cc2)o1 ZINC000169696330 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3cccnc3OC(C)C)cc2)o1 ZINC000169696331 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3cccnc3OC(C)C)cc2)o1 ZINC000169696332 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)on4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169696333 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)on4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169696334 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)on4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169696335 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4cc(C)on4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169696336 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)o1 ZINC000169696357 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)o1 ZINC000169696358 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)o1 ZINC000169696359 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)o1 ZINC000169696360 JJ Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696393 JJ Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696394 JJ Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696395 JJ Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696396 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCCC3)cc2)no1 ZINC000169696425 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCCC3)cc2)no1 ZINC000169696426 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC3CCCC3)cc2)no1 ZINC000169696427 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC3CCCC3)cc2)no1 ZINC000169696428 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3S(C)(=O)=O)cc2)cs1 ZINC000169696441 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3S(C)(=O)=O)cc2)cs1 ZINC000169696442 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3S(C)(=O)=O)cc2)cs1 ZINC000169696443 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3S(C)(=O)=O)cc2)cs1 ZINC000169696444 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C4CCCC4)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169696485 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C4CCCC4)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169696486 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C4CCCC4)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169696487 JJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C4CCCC4)[C@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000169696488 JJ Annotated Anodyne CC(C)OCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696559 JJ Annotated Anodyne CC(C)OCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696560 JJ Annotated Anodyne CC(C)OCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696561 JJ Annotated Anodyne CC(C)OCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696562 JJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)(C)C(=O)O)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696623 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)(C)C(=O)O)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696624 JJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)(C)C(=O)O)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696625 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)(C)C(=O)O)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696626 JJ Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696651 JJ Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696652 JJ Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696653 JJ Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696654 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC1CC1 ZINC000169696736 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCC1CC1 ZINC000169696737 JJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC1CC1 ZINC000169696738 JJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC1CC1 ZINC000169696739 JJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCC2CCOCC2)cc1 ZINC000169696748 JJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCC2CCOCC2)cc1 ZINC000169696749 JJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]2c2ccccc2OCC2CCOCC2)cc1 ZINC000169696750 JJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]2c2ccccc2OCC2CCOCC2)cc1 ZINC000169696751 JJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)COC(C)=O)n[nH]c2C(=O)N1c1ccc(SC)cc1 ZINC000169696775 JJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCCO)N(c1ccc(-c3nccs3)cc1)C2=O ZINC000169696779 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)c4n[nH]c(C(C)(C)C)c4[C@H]3c3ccccc3OCCO)cc2)on1 ZINC000169696780 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000169696787 JJ Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696788 JJ Annotated Anodyne COC(=O)COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696791 JJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696792 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696796 JJ Annotated Anodyne COCCOc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(SC)cc1 ZINC000169696797 JJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696802 JJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3cccs3)cc1)C2=O ZINC000169696805 JJ Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696808 JJ Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696812 JJ Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1cccnc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696813 JJ Annotated Anodyne CNC(=O)COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696814 JJ Annotated Anodyne COCc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696824 JJ Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1C(=O)NCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696847 JJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696861 JJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1S(C)(=O)=O)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696863 JJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2nccs2)cc1 ZINC000169696885 JJ Annotated Anodyne CCC(CC)(CO)c1[nH]nc2c1[C@H](c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696887 JJ Annotated Anodyne CNC(=O)C(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696907 JJ Annotated Anodyne COc1ccccc1[C@H]1c2c(C(=O)N(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696914 JJ Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OC(CO)CO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696954 JJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000169696968 JJ Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cccs2)cn1 ZINC000169696980 JJ Annotated Anodyne N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)cc1 ZINC000169697190 JJ Annotated Mild O=C(CC1(O)CCCCC1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697195 JJ Annotated Anodyne O=C(C[C@@H]1CCCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697196 JJ Annotated Anodyne O=C(C[C@H]1CCCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000169697197 JJ Annotated Anodyne CO[C@@H]1CC[C@@H](CC(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)C1 ZINC000169697207 JJ Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1COc2ccccc2C1 ZINC000169697240 JJ Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1COc2ccccc2C1 ZINC000169697241 JJ Annotated Anodyne COc1ccc(F)c(F)c1-c1cccc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)c1 ZINC000169697301 JJ Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698922 JJ Annotated Anodyne Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)cnn1 ZINC000169698923 JJ Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698931 JJ Annotated Mild CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698945 JJ Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1C(=O)[C@H]1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000169700588 JJ Annotated Anodyne CCC[C@@H](C(=O)NCC(=O)OCC)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000169700649 JJ Annotated Anodyne CCC[C@H](C(=O)NCC(=O)OCC)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000169700650 JJ Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4ccc(F)cc4n3)CC2)cc1F ZINC000169701451 JJ Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4cc(F)ccc4n3)CC2)cc1F ZINC000169701453 JJ Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4cccc(F)c4n3)CC2)cc1F ZINC000169701454 JJ Annotated Anodyne O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cc(F)ccc2c1 ZINC000169701470 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2ccccc2N)C1 ZINC000169702050 JJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2ccccc2N)C1 ZINC000169702051 JJ Annotated Anodyne COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@@H]2C ZINC000169702297 JJ Annotated Anodyne COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@H]2C ZINC000169702299 JJ Annotated Anodyne Cn1nc2c(c1Cc1ccccc1Cl)-c1nc(Nc3ccn(Cc4ccncc4)n3)ncc1CC2 ZINC000169702308 JJ Annotated Anodyne C[C@@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCNCC4)c3)ncc21 ZINC000169702487 JJ Annotated Anodyne C[C@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCNCC4)c3)ncc21 ZINC000169702489 JJ Annotated Anodyne CCOc1ccc(-c2nccs2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000169702647 JJ Annotated Anodyne CCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(OC)cc21 ZINC000169702663 JJ Annotated Anodyne Cc1ccc2c(n1)CC[C@@H]2NC(=O)COc1cc(C(F)(F)F)c2c(-c3cc(C)oc3C)nn(C)c2n1 ZINC000169702668 JJ Annotated Anodyne Cn1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc(Br)c1Br ZINC000169702862 JJ Annotated Reactive CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(OCC(F)(F)F)nc3)ccc2F)C1(F)F ZINC000169702906 JJ Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3CC)cc2)c(CC)c1CC(=O)O ZINC000169703188 JJ Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3c(C)c4ccccc4n3C)cc2)c(CC)c1CC(=O)O ZINC000169703190 JJ Annotated Anodyne COc1ccc2oc(C(=O)Nc3ccc(Cn4nc(C)c(CC(=O)O)c4C)c(F)c3)c(C)c2c1 ZINC000169703211 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703464 JJ Annotated Anodyne Cc1cn(-c2ccc(C(N)=O)c(NCCCCO)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703477 JJ Annotated Anodyne Cc1cn(-c2ccc(C(N)=O)c(NCC(C)(C)O)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703478 JJ Annotated Anodyne CCNCCNc1cc(-n2cc(CC)c3c(-c4cnc5ccccc5c4)ccnc32)ccc1C(N)=O ZINC000169703490 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2C2CC2)c2nccc(-n3cnc(-c4cccnc4)c3)c12 ZINC000169703540 JJ Annotated Anodyne CC(C)Nc1cc(-n2nc(C(C)C)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O ZINC000169703542 JJ Annotated Anodyne CNC(=O)[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000169703790 JJ Annotated Anodyne CNC(=O)[C@@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000169703796 JJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cnc(C4CC4)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703807 JJ Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)ccn2)CC1 ZINC000169703823 JJ Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703825 JJ Annotated Anodyne COCCN(C)[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703826 JJ Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccncc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703858 JJ Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703879 JJ Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703886 JJ Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703889 JJ Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)C3CCC(C(F)(F)F)CC3)cc2)c(CC)c1CC(=O)O ZINC000169704004 JJ Annotated Anodyne CCc1nn(Cc2ccc(C(=O)Nc3ccc(F)c(Br)c3)cc2)c(CC)c1CC(=O)O ZINC000169704029 JJ Annotated Anodyne COc1cc(CO)ccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1 ZINC000169704082 JJ Annotated Anodyne COc1c(CO)cccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1 ZINC000169704084 JJ Annotated Anodyne C=CCNC1=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000169704512 JJ Annotated Mild C=CCNC1=N[C@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000169704513 JJ Annotated Mild C=CCNC1=N[C@@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000169704540 JJ Annotated Mild C=CCNC1=N[C@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000169704541 JJ Annotated Mild CC(C)N1CC(/N=C/[C@@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000169704608 JJ Annotated Mild CC(C)N1CC(/N=C/[C@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000169704609 JJ Annotated Mild CN1CCC[C@@H](/N=C/[C@@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000169704610 JJ Annotated Mild CCN1CC[C@@H](/N=C/[C@@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000169704611 JJ Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cccc(CCO)c4)ccn23)c1 ZINC000169704629 JJ Annotated Anodyne CCNc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704645 JJ Annotated Anodyne Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1C(F)(F)F ZINC000169704646 JJ Annotated Anodyne Nc1ncc(C(F)(F)F)c(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704647 JJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncc(F)c(NC5CC5)n4)ccn23)c1 ZINC000169704648 JJ Annotated Anodyne Cc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cc(N(C)C)n1 ZINC000169704664 JJ Annotated Anodyne Cc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N(C)C ZINC000169704666 JJ Annotated Anodyne CNc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc(SC)n1 ZINC000169704682 JJ Annotated Anodyne CCOc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704700 JJ Annotated Anodyne CC(C)c1cnc(N)nc1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704701 JJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(NC5CC5)s4)ccn23)c1 ZINC000169704706 JJ Annotated Anodyne CCNc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 ZINC000169704728 JJ Annotated Anodyne Nc1nc(-c2ccn3c(-c4cc(Cl)cc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704746 JJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(O)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704749 JJ Annotated Anodyne Nc1cc(C(F)(F)F)nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704763 JJ Annotated Anodyne CC(C)c1cc(N)nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000169704764 JJ Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000169704785 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@H](C(=O)O)c1ccccc1 ZINC000169704786 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@@H](C(=O)O)c1cccs1 ZINC000169704787 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[C@H](C(=O)O)c1cccs1 ZINC000169704788 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1O[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000169704791 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1O[C@H](C(N)=O)c1ccc(F)cc1 ZINC000169704792 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OS(=O)(=O)c1ccc(C)cc1 ZINC000169704793 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1O[P@@](=O)(O)c1ccccc1 ZINC000169704794 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cccn2)nc1 ZINC000169704798 JJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cncn2)cc1 ZINC000169704800 JJ Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N([C@@H]1CCC(=O)N(C)C1)C2=O ZINC000169705519 JJ Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N([C@@H]1CCC(=O)N(C)C1)C2=O ZINC000169705520 JJ Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N([C@H]1CCC(=O)N(C)C1)C2=O ZINC000169705521 JJ Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N([C@H]1CCC(=O)N(C)C1)C2=O ZINC000169705522 JJ Annotated Anodyne NC1(c2ccc(-n3c(-c4cc[nH]n4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705891 JJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1 ZINC000169707078 JJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1 ZINC000169707080 JJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2cccc(F)c2)c1 ZINC000169707111 JJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2cccc(F)c2)c1 ZINC000169707112 JJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2cccc(F)c2)c1 ZINC000169707113 JJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2ccc(F)cc2)c1 ZINC000169707114 JJ Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(C2CCC(F)(F)CC2)n1 ZINC000169707138 JJ Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccccc2Cl)n1 ZINC000169707142 JJ Annotated Anodyne CC(C)(C)COCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707251 JJ Annotated Anodyne CC(C)(C)COCc1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707252 JJ Annotated Anodyne CC(C)(C)CCOc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707265 JJ Annotated Anodyne CC(C)(C)CCOc1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707266 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OCC(F)(F)F)cc2)c1 ZINC000169707297 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCC(C)C)c2)c1 ZINC000169707303 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC3CCCC3)c2)c1 ZINC000169707304 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCC(F)(F)F)c2)c1 ZINC000169707309 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C(F)(F)F)c2)c1 ZINC000169707321 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000169707322 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC(C)(C)C)c2)c1 ZINC000169707345 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCCCSC)c2)c1 ZINC000169707397 JJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C#CC(C)(C)C)c2)c1 ZINC000169707402 JJ Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707637 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cncnc21 ZINC000169707638 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)c(C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707643 JJ Annotated Mild CC(C)n1ncc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1C(F)(F)F ZINC000169707678 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccn(-c4ccccc4)c3)c2)c2cncnc21 ZINC000169707699 JJ Annotated Anodyne Cc1ccc2ccc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc2n1 ZINC000169707710 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cccc(C(=O)C(F)(F)F)c3)c2)c2cncnc21 ZINC000169707846 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c2cncnc21 ZINC000169707889 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)COc3ccc(OC(F)(F)F)cc3)c2)c2cncnc21 ZINC000169707892 JJ Annotated Anodyne Cc1nc(C(F)(F)F)c(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)s1 ZINC000169707923 JJ Annotated Anodyne CN(C(=O)Cc1ccc(Cl)cc1)c1cncc(C(=O)c2cn(C(C)(C)C)c3ncncc23)c1 ZINC000169708050 JJ Annotated Anodyne CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CNC(=O)OC(C)(C)C)c2c1C ZINC000169708341 JJ Annotated Anodyne CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CNC(=O)OC(C)(C)C)c2c1C ZINC000169708342 JJ Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)CC(F)(F)F)cc3)C2)ccn1 ZINC000169709405 JJ Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)CC(F)(F)F)cc3)C2)ccn1 ZINC000169709406 JJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709462 JJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709463 JJ Annotated Anodyne Cc1ncoc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709470 JJ Annotated Anodyne Cc1ncoc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709471 JJ Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709478 JJ Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709479 JJ Annotated Anodyne C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709480 JJ Annotated Anodyne C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709481 JJ Annotated Anodyne C[C@H](NC(=O)c1cnsc1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709482 JJ Annotated Anodyne C[C@H](NC(=O)c1cnsc1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709483 JJ Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709484 JJ Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709485 JJ Annotated Anodyne Cc1cncc(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)c1 ZINC000169709492 JJ Annotated Anodyne Cc1cncc(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)c1 ZINC000169709493 JJ Annotated Anodyne Cc1cc(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)no1 ZINC000169709512 JJ Annotated Anodyne Cc1cc(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)no1 ZINC000169709513 JJ Annotated Anodyne C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709514 JJ Annotated Mild C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709515 JJ Annotated Mild C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709643 JJ Annotated Anodyne C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@H]2CCN(c3ccnc(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709644 JJ Annotated Anodyne C[C@H](NC(=O)Nc1ccon1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709649 JJ Annotated Anodyne C[C@H](NC(=O)Nc1ccon1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709650 JJ Annotated Anodyne C[C@H](NC(=O)N1CCCC1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709685 JJ Annotated Anodyne C[C@H](NC(=O)N1CCCC1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709686 JJ Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709746 JJ Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709747 JJ Annotated Anodyne Cc1c(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)/C=C/C4CC4)cc3)C2)ccnc1OCC1CC1 ZINC000169709832 JJ Annotated Anodyne O[C@@](Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc2cc(Br)ccc2n1 ZINC000169709974 JJ Annotated Anodyne O[C@](Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc2cc(Br)ccc2n1 ZINC000169709975 JJ Annotated Anodyne Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(CC5CCCCC5)c4=O)cc3c2n1C(C)C ZINC000169710232 JJ Annotated Mild Nc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000169710432 JJ Annotated Anodyne Nc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000169710433 JJ Annotated Anodyne Cc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000169710440 JJ Annotated Anodyne Cc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000169710441 JJ Annotated Anodyne O=C(NCc1nnc2n1CCC2)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1 ZINC000169710446 JJ Annotated Anodyne O=C(NCc1nnc2n1CCC2)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1 ZINC000169710447 JJ Annotated Anodyne O=C(NCc1nnc2ccccn12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710475 JJ Annotated Anodyne O=C(NCc1nnc2ccccn12)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710476 JJ Annotated Anodyne O=S(=O)(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1cccnc1 ZINC000169710488 JJ Annotated Anodyne O=S(=O)(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1cccnc1 ZINC000169710489 JJ Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n(C)n1 ZINC000169710522 JJ Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n(C)n1 ZINC000169710523 JJ Annotated Anodyne Cc1c(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000169710533 JJ Annotated Anodyne Cc1c(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000169710534 JJ Annotated Anodyne Nc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000169710554 JJ Annotated Anodyne Nc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000169710555 JJ Annotated Anodyne O=C(CCn1cccn1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710565 JJ Annotated Anodyne O=C(CCn1cccn1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710566 JJ Annotated Anodyne Cc1ncc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1C ZINC000169710586 JJ Annotated Anodyne Cc1ncc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1C ZINC000169710587 JJ Annotated Anodyne CCn1cc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000169710595 JJ Annotated Anodyne CCn1cc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000169710596 JJ Annotated Anodyne Cc1c(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000169710597 JJ Annotated Anodyne Cc1c(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000169710598 JJ Annotated Anodyne Cc1nc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1C ZINC000169710603 JJ Annotated Anodyne Cc1nc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1C ZINC000169710604 JJ Annotated Anodyne O=C(N[C@@H](CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710625 JJ Annotated Anodyne O=C(N[C@H](CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710626 JJ Annotated Anodyne O=C(N[C@H](CO)c1ccccc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710654 JJ Annotated Anodyne O=C(N[C@H](CO)c1ccccc1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000169710655 JJ Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccc(Cl)nc2)O3)s1 ZINC000169710678 JJ Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccc(Cl)nc2)O3)s1 ZINC000169710679 JJ Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cnccn2)O3)s1 ZINC000169710699 JJ Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cnccn2)O3)s1 ZINC000169710700 JJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CC=C(c2ncc(C[C@@H](O)CO)cc2Cl)CC1 ZINC000169710882 JJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CC=C(c2ncc(C[C@H](O)CO)cc2Cl)CC1 ZINC000169710883 JJ Annotated Anodyne O=C(C[C@@H](O)C(F)(F)F)N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711147 JJ Annotated Anodyne CN(C)C(=O)CCC(=O)N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711153 JJ Annotated Anodyne Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711399 JJ Annotated Anodyne Cc1cc(CN(C)C(C)C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711425 JJ Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OC)cc21 ZINC000169711488 JJ Annotated Anodyne CCN1CC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)C1 ZINC000169711546 JJ Annotated Anodyne O=C1C(=O)c2ccccc2C(=O)/C1=C(\CCc1ccccc1)c1c(O)c(O)c2ccccc2c1O ZINC000169714727 JJ Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2cccnc2)cc1 ZINC000169716330 JJ Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccncc2)cc1 ZINC000169716333 JJ Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccn2)cc1 ZINC000169716335 JJ Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)nc1 ZINC000169716338 JJ Annotated Mild C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cn1 ZINC000169716340 JJ Annotated Mild CCOc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169717102 JJ Annotated Clean CC(C)c1ccc(N2CC(=O)[C@@H](C(=O)Nc3ccc(OCCCCCCCC(=O)O)cc3)C2=O)cc1 ZINC000169717327 JJ Annotated Anodyne CC(C)c1ccc(N2CC(=O)[C@H](C(=O)Nc3ccc(OCCCCCCCC(=O)O)cc3)C2=O)cc1 ZINC000169717328 JJ Annotated Anodyne Oc1c(Cl)c(/N=C/CC2C[C@H](Br)C(O)[C@H](Br)C2)c(O)c2ncccc12 ZINC000169717679 JJ Annotated Reactive Oc1c(Cl)c(/N=C/CC2C[C@H](Br)C(O)[C@@H](Br)C2)c(O)c2ncccc12 ZINC000169717680 JJ Annotated Reactive Oc1c(Cl)c(/N=C/CC2C[C@@H](Br)C(O)[C@H](Br)C2)c(O)c2ncccc12 ZINC000169717681 JJ Annotated Reactive COc1ccccc1-n1c(O)c2c(c1O)C1(O[C@@H]2c2ccccc2C)C(=O)c2ccccc2C1=O ZINC000169717943 JJ Annotated Clean COc1ccccc1-n1c(O)c2c(c1O)C1(O[C@H]2c2ccccc2C)C(=O)c2ccccc2C1=O ZINC000169717944 JJ Annotated Clean Cc1ccc(-n2c(O)c3c(c2O)C2(N[C@@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000169717959 JJ Annotated Clean Cc1ccc(-n2c(O)c3c(c2O)C2(N[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000169717960 JJ Annotated Clean CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](c2ccc(-c3ccccc3)cc2)C1=O ZINC000169718171 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](c2ccc(-c3ccccc3)cc2)C1=O ZINC000169718172 JJ Annotated Anodyne N=C(CC1CCCCC1)[P@@](=O)(O)C[C@@H](Cc1ccccc1I)C(=O)O ZINC000169718197 JJ Annotated Anodyne N#Cc1ccc(-c2cccc(CN[C@H]3Cc4c(O)n(-c5cc(Cl)cc(Cl)c5)c(=O)n4C3)c2)cc1 ZINC000169718705 JJ Annotated Mild O=C(O)c1cc(CC2=C[C@@H](C(=O)O)C(=O)[C@@H](Cc3ccccc3)C2)cc(Cc2ccccc2)c1O ZINC000169719944 JJ Annotated Anodyne O=C(O)c1cc(CC2=C[C@H](C(=O)O)C(=O)[C@@H](Cc3ccccc3)C2)cc(Cc2ccccc2)c1O ZINC000169719945 JJ Annotated Anodyne O=C(O)c1cc(CC2=C[C@@H](C(=O)O)C(=O)[C@H](Cc3ccccc3)C2)cc(Cc2ccccc2)c1O ZINC000169719946 JJ Annotated Anodyne O=C(O)c1cc(CC2=C[C@H](C(=O)O)C(=O)[C@H](Cc3ccccc3)C2)cc(Cc2ccccc2)c1O ZINC000169719947 JJ Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(OCCOc3cccc4[nH]c5ccccc5c34)cc2)[C@@H]1C(=O)O ZINC000169720018 JJ Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(OCCOc3cccc4[nH]c5ccccc5c34)cc2)[C@@H]1C(=O)O ZINC000169720019 JJ Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(OCCOc3cccc4[nH]c5ccccc5c34)cc2)[C@H]1C(=O)O ZINC000169720020 JJ Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(OCCOc3cccc4[nH]c5ccccc5c34)cc2)[C@H]1C(=O)O ZINC000169720021 JJ Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCn1c2ccccc2c2ccccc21 ZINC000169720038 JJ Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCn1c2ccccc2c2ccccc21 ZINC000169720039 JJ Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCn1c2ccccc2c2ccccc21 ZINC000169720040 JJ Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCn1c2ccccc2c2ccccc21 ZINC000169720041 JJ Annotated Anodyne COc1cccc2c1c1ccccc1n2CCOc1ccc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)cc1 ZINC000169720050 JJ Annotated Anodyne COc1cccc2c1c1ccccc1n2CCOc1ccc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)cc1 ZINC000169720051 JJ Annotated Anodyne COc1cccc2c1c1ccccc1n2CCOc1ccc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)O)cc1 ZINC000169720052 JJ Annotated Anodyne COc1cccc2c1c1ccccc1n2CCOc1ccc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)O)cc1 ZINC000169720053 JJ Annotated Anodyne COc1cc(-n2nc(C)c3c2OC(=N)[C@@H](C#N)[C@@H]3c2ccccc2)c(Cl)c(Br)c1O ZINC000169720500 JJ Annotated Mild COc1cc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@@H]3c2ccccc2)c(Cl)c(Br)c1O ZINC000169720501 JJ Annotated Mild CC1=CCC[C@H]2[C@@H](C)[C@@](C)(Cc3c(O)c(O)cc(/N=C/CS(=O)(=O)O)c3O)CC[C@]12C ZINC000169721127 JJ Annotated Mild CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000169721658 JJ Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000169721659 JJ Annotated Anodyne CC1=C2O[C@]3(O)C=C2[C@H](C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000169721922 JJ Annotated Mild CC1=C2O[C@]3(O)C=C2[C@@H](C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000169721923 JJ Annotated Mild CC1=C2O[C@]3(O)C=C2[C@@H](C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000169721924 JJ Annotated Mild CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000169722398 JJ Annotated Anodyne CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000169722399 JJ Annotated Anodyne CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000169722400 JJ Annotated Anodyne C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@H](C)/C=C1\OC(=O)[C@@H](C)C1=O ZINC000169723334 JJ Annotated Mild C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@H](C)/C=C1\OC(=O)[C@H](C)C1=O ZINC000169723335 JJ Annotated Mild Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000169723671 JJ Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000169723672 JJ Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000169723673 JJ Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000169723674 JJ Annotated Anodyne Clc1ccc(C/N=N\c2nc(NCc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 ZINC000169723733 JJ Annotated Clean C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@H]1C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 ZINC000169724095 JJ Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@@H]1C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 ZINC000169724096 JJ Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@@H]1C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 ZINC000169724097 JJ Annotated Mild C/C(=N\NC(=S)c1ccc(C(=O)O)cc1)[C@H]1C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 ZINC000169724098 JJ Annotated Mild O=C(Nc1ccccc1-c1ccccc1)N1CCn2c(c(O)n([C@@H]3CC34CCCCC4)c2=O)C1 ZINC000169724955 JJ Annotated Anodyne O=C(Nc1ccccc1-c1ccccc1)N1CCn2c(c(O)n([C@H]3CC34CCCCC4)c2=O)C1 ZINC000169724956 JJ Annotated Anodyne COc1ccc2cc3n(cc-2/c1=N/CCc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 ZINC000169725113 JJ Annotated Bother COc1ccc(CC/N=c2\c(OC)ccc3cc4n(cc2-3)CCc2cc3c(cc2-4)OCO3)cc1OC ZINC000169725117 JJ Annotated Anodyne O=S1[C@H]2C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@@H]1c1c2c(O)n(-c2ccccc2)c1O ZINC000169727710 JJ Annotated Anodyne COc1ccc([C@H]2c3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)ON2c2ccc(C)cc2)cc1 ZINC000169728031 JJ Annotated Anodyne Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000169728032 JJ Annotated Bother Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000169728033 JJ Annotated Bother COc1cccc([C@H]2c3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)ON2c2ccc(C)cc2)c1 ZINC000169728034 JJ Annotated Anodyne COc1ccccc1[C@H]1c2c(c(O)n(-c3ccc(C(=O)O)cc3)c2O)ON1c1ccc(C)cc1 ZINC000169728035 JJ Annotated Anodyne COc1cc(CCC2=NC(=O)N[C@@H](c3ccccc3)[C@@H]2C(=O)CCc2ccc(O)cc2)ccc1O ZINC000169729745 JJ Annotated Anodyne COc1cc(CCC2=NC(=O)N[C@H](c3ccccc3)[C@@H]2C(=O)CCc2ccc(O)cc2)ccc1O ZINC000169729746 JJ Annotated Anodyne COc1cc(CCC2=NC(=O)N[C@@H](c3ccccc3)[C@H]2C(=O)CCc2ccc(O)cc2)ccc1O ZINC000169729747 JJ Annotated Anodyne COc1cc(CCC2=NC(=O)N[C@H](c3ccccc3)[C@H]2C(=O)CCc2ccc(O)cc2)ccc1O ZINC000169729748 JJ Annotated Anodyne COc1cc(CCC(=O)[C@@H]2C(CCc3ccc(O)cc3)=NC(=O)N[C@@H]2c2ccccc2)ccc1O ZINC000169729757 JJ Annotated Anodyne COc1cc(CCC(=O)[C@H]2C(CCc3ccc(O)cc3)=NC(=O)N[C@@H]2c2ccccc2)ccc1O ZINC000169729758 JJ Annotated Anodyne COc1cc(CCC(=O)[C@@H]2C(CCc3ccc(O)cc3)=NC(=O)N[C@H]2c2ccccc2)ccc1O ZINC000169729759 JJ Annotated Anodyne COc1cc(CCC(=O)[C@H]2C(CCc3ccc(O)cc3)=NC(=O)N[C@H]2c2ccccc2)ccc1O ZINC000169729760 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2Cl)cc1Cl ZINC000169729858 JJ Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2Cl)cc1Cl ZINC000169729859 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2Cl)cc1Cl ZINC000169729860 JJ Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2Cl)cc1Cl ZINC000169729861 JJ Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@@H]2[C@@H](c2ccc(Br)cc2)N1 ZINC000169729955 JJ Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@H]2[C@@H](c2ccc(Br)cc2)N1 ZINC000169729956 JJ Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@@H]2[C@H](c2ccc(Br)cc2)N1 ZINC000169729957 JJ Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@H]2[C@H](c2ccc(Br)cc2)N1 ZINC000169729958 JJ Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@@H]2[C@@H](c2ccc(Br)cc2)N1 ZINC000169730003 JJ Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@H]2[C@@H](c2ccc(Br)cc2)N1 ZINC000169730004 JJ Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@@H]2[C@H](c2ccc(Br)cc2)N1 ZINC000169730005 JJ Annotated Anodyne O=C1N=C2/C(=C/c3ccc(Br)cc3)CNC[C@H]2[C@H](c2ccc(Br)cc2)N1 ZINC000169730006 JJ Annotated Anodyne Oc1c(Br)cc(C/C=N/c2cc(O)c3ccncc3c2O)cc1Br ZINC000169730515 JJ Annotated Mild Cc1cc2c(c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=N)N(CCN(C)C)C2=O ZINC000169857893 JJ Annotated Anodyne CCCCCCC(=O)C/C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=N\NC(N)=O ZINC000017194891 JJ Annotated Reactive CC1=C2C(c3ccccc3)(c3ccccc3)[C@H]3C=C[C@@]2(C=N3)N(C(=O)NC2CCCCC2)C1=O ZINC000017195735 JJ Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000017198275 JJ Annotated Anodyne CCCN1C/C(=C\c2ccc(N(C)C)cc2)C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000017206469 JJ Annotated Anodyne CC(C)(C)OC(=O)N1N=N[C@@H]2[C@@H]3O[C@@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000017210240 JJ Annotated Anodyne CC(C)(C)OC(=O)N1N=N[C@H]2[C@@H]3O[C@@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000017210242 JJ Annotated Anodyne Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)C(=O)N=[N+]=[N-] ZINC000017213898 JJ Annotated Unstable CCOC(=O)c1csc([C@@H](CSCc2ccc(OC)cc2)N2C(=O)c3ccccc3C2=O)n1 ZINC000017220550 JJ Annotated Anodyne C[n+]1c(-c2ccc(/C=N/N=C/c3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21 ZINC000017222042 JJ Annotated Mild COc1ccc(/C=C2\CSC/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC ZINC000017254534 JJ Annotated Mild CCOC(=O)NC(N(C)[C@H](C(C)C)P(=O)(OCC)OCC)(C(F)(F)F)C(F)(F)F ZINC000017256315 JJ Annotated Anodyne CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H]2CO2)c(C)c1 ZINC000170184530 JJ Annotated Anodyne CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OC[C@H]2CO2)c(C)c1 ZINC000170184533 JJ Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@H](c2cc3c(cc2Br)OCO3)/C1=C(\O)OCCOC(C)C ZINC000017520090 JJ Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2cc3c(cc2Br)OCO3)/C1=C(\O)OCCOC(C)C ZINC000017520092 JJ Annotated Mild C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1cccs1 ZINC000017526819 JJ Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1cccs1 ZINC000017526820 JJ Annotated Reactive O=C1Nc2ccc(Br)cc2/C1=N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000017529452 JJ Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000017654903 JJ Annotated Reactive CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1[C@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000017749244 JJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017885053 JJ Annotated Anodyne COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000017953102 JJ Annotated Mild COc1ccc([C@H]2C=CCN(C(=O)C3CCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018036810 JJ Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018044472 JJ Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cnn(C)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000018066214 JJ Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018067557 JJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068990 JJ Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cnn(C)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000018085948 JJ Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cnn(C)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000018096094 JJ Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)Oc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018101005 JJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)Oc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018129953 JJ Annotated Anodyne Cc1ccc(NC(=O)CCC(=O)[C@@H]2CC(=O)CC/C2=N\NC(=O)c2cc3ccccc3cc2O)cc1C ZINC000018130105 JJ Annotated Reactive COC[C@@H](C)n1c(-c2ccc3c(c2)NC(=O)CO3)cs/c1=N\c1ccc(OC(F)F)cc1 ZINC000018189338 JJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)C3CCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018205741 JJ Annotated Anodyne O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 ZINC000018246079 JJ Annotated Mild O=C(C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccccn2)C1=O)Nc1cccc(Cl)c1 ZINC000018246081 JJ Annotated Mild COC[C@H](C)n1c(-c2ccc3c(c2)NC(=O)CO3)cs/c1=N\c1ccc(OC(F)F)cc1 ZINC000018246097 JJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 ZINC000018256151 JJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 ZINC000018268625 JJ Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N3CCCCC3)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000019360885 JJ Annotated Mild CN1CCN(CC#CCCC2(C3(O)c4ccccc4Oc4ccccc43)SCCCS2)CC1 ZINC000019367948 JJ Annotated Mild CC(C)CN1C[C@H](OC[C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C ZINC000194952941 JJ Annotated Mild COc1ccc([C@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C ZINC000194969343 JJ Annotated Reactive CC(=O)O[C@@H]1S[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1N=[N+]=[N-] ZINC000194984798 JJ Annotated Reactive CC(=O)O[C@H]1S[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1N=[N+]=[N-] ZINC000194984812 JJ Annotated Reactive CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000019723310 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000019723312 JJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000019723313 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000019723315 JJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000019727309 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000019727311 JJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000019727313 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000019727315 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000019727414 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019727416 JJ Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000019781964 JJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000019781965 JJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000019781966 JJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000019781967 JJ Annotated Anodyne Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000019836425 JJ Annotated Anodyne Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000019836427 JJ Annotated Anodyne Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000019836430 JJ Annotated Anodyne Cc1cnc(SC[C@H]2CCCO2)nc1[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000019836432 JJ Annotated Anodyne CCCN1C/C(=C\c2ccc(N(C)C)cc2)C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1 ZINC000019938696 JJ Annotated Anodyne COc1cc(C2=C(c3cc(C)c(OC)c(C)c3)[C@@H](O[SiH2]C(C)(C)C)CC2=O)cc(OC)c1OC ZINC000195136663 JJ Annotated Reactive COc1cc(C2=C(c3cc(C)c(OC)c(C)c3)[C@H](O[SiH2]C(C)(C)C)CC2=O)cc(OC)c1OC ZINC000195136673 JJ Annotated Reactive COc1ccc([C@@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C ZINC000195176670 JJ Annotated Reactive COc1ccc([C@@H](O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C ZINC000195176682 JJ Annotated Reactive CC(C)=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000195178031 JJ Annotated Mild C=C(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000195181761 JJ Annotated Mild O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@]1(O)c1cccc(Cl)c1)CC2 ZINC000195184406 JJ Annotated Anodyne O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@]1(O)c1cccc(Cl)c1)CC2 ZINC000195184423 JJ Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000195205469 JJ Annotated Anodyne CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@H](CCO)N2)(c1ccccc1)c1ccccc1 ZINC000195206691 JJ Annotated Reactive C[C@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@H]2C[C@H]2NCC[C@@H]3c4ccccc4N1[C@H]23 ZINC000195239681 JJ Annotated Anodyne C[C@@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@H]2C[C@H]2NCC[C@@H]3c4ccccc4N1[C@H]23 ZINC000195239696 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@@H]2CC(=O)[C@H](c3cc(O)ccc32)[C@@H]1C(=O)OCc1cccc(F)c1 ZINC000195262942 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@@H]2CC(=O)[C@H](c3cc(O)ccc32)[C@@H]1C(=O)OCc1cccc(F)c1 ZINC000195262950 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@@H](C(=O)OCc2cccc(F)c2)[C@@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000195262959 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@@H](C(=O)OCc2cccc(F)c2)[C@@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000195262972 JJ Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@@H](OC(=O)COc3ccccc3)C(=CCC1)C2=O ZINC000195278975 JJ Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@@H](OC(=O)COc3ccccc3)C(=CCC1)C2=O ZINC000195278985 JJ Annotated Reactive CC(C)(C)[Si](OCCCc1ccc(=O)n(Cc2ccccc2)n1)(c1ccccc1)c1ccccc1 ZINC000195313937 JJ Annotated Reactive CC(=O)N1[C@@H](CCO)CCC[C@]12CCC[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195331269 JJ Annotated Reactive CCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2Cc1ccc(C(F)(F)F)cc1 ZINC000195335038 JJ Annotated Anodyne CC(=O)c1cnc2n(c1=O)[C@@H]1[C@H](O2)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195355839 JJ Annotated Reactive COc1cccc([C@@H]2[C@H](C)C[C@H]3CC(=O)N[C@@H](c4cccc(OC)c4)[C@@H](C)C/C=C\C(=O)N32)c1 ZINC000195372766 JJ Annotated Anodyne COc1cccc([C@@H]2[C@H](C)C[C@H]3CC(=O)N[C@@H](c4cccc(OC)c4)[C@@H](C)C/C=C/C(=O)N32)c1 ZINC000195372776 JJ Annotated Anodyne COc1cccc([C@H]2NC(=O)C[C@@H]3C[C@@H](C)[C@@H](c4cccc(OC)c4)N3C(=O)/C=C\C[C@@H]2C)c1 ZINC000195372783 JJ Annotated Anodyne COc1cccc([C@H]2NC(=O)C[C@@H]3C[C@@H](C)[C@@H](c4cccc(OC)c4)N3C(=O)/C=C/C[C@@H]2C)c1 ZINC000195372789 JJ Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]21 ZINC000195377485 JJ Annotated Mild CCCc1cc2c(n1Cc1ccco1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195381280 JJ Annotated Anodyne COC(=O)C1=CCC[C@H]1C1=C(C)C2=Cc3c(C)c([C@H]4CCC=C4C(=O)OC)c(C)n3[B-](F)(F)[N+]2=C1C ZINC000195387377 JJ Annotated Anodyne COC(=O)C1=CCC[C@H]1C1=C(C)C2=Cc3c(C)c([C@@H]4CCC=C4C(=O)OC)c(C)n3[B-](F)(F)[N+]2=C1C ZINC000195387384 JJ Annotated Anodyne COC(=O)C1=CCC[C@@H]1C1=C(C)C2=Cc3c(C)c([C@H]4CCC=C4C(=O)OC)c(C)n3[B-](F)(F)[N+]2=C1C ZINC000195387389 JJ Annotated Anodyne CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000195388610 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000195389962 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000195389967 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000195389975 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000195393219 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000195393229 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000195393234 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000195397315 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000195397322 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000195397329 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000195400694 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000195400703 JJ Annotated Anodyne CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C(=O)OCOCC[Si](C)(C)C)CC[C@@H]12 ZINC000195400996 JJ Annotated Reactive CC(=O)O[C@H]1OC=C[C@H]2[C@@H]1[C@H](C)C[C@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195412615 JJ Annotated Reactive CC(=O)O[C@@H]1OC=C[C@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H](C)[C@@H]12 ZINC000195428893 JJ Annotated Reactive C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000195436452 JJ Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N/O[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000195436459 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000195439657 JJ Annotated Reactive CN1CCN(CCN2CCC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195442576 JJ Annotated Anodyne CN1CCN(CCN2CCC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195442586 JJ Annotated Anodyne CN1CCN(CCCN2CCC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447419 JJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195471421 JJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000195471425 JJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195471432 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000195481046 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000195481048 JJ Annotated Anodyne CC(C)(Br)[C@@H](Br)CC[C@@]1([C@@H](Br)CBr)CO1 ZINC000195488215 JJ Annotated Reactive CC(C)(Br)[C@H](Br)CC[C@@]1([C@@H](Br)CBr)CO1 ZINC000195488219 JJ Annotated Reactive CC(C)(Br)[C@@H](Br)CC[C@]1([C@@H](Br)CBr)CO1 ZINC000195488224 JJ Annotated Reactive CC(C)(Br)[C@H](Br)CC[C@]1([C@@H](Br)CBr)CO1 ZINC000195488226 JJ Annotated Reactive CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc1 ZINC000195501058 JJ Annotated Reactive CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc1 ZINC000195501060 JJ Annotated Reactive CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2CNC(=O)[C@]23CCC(=O)N3Cc2ccccc2)cc1 ZINC000195501062 JJ Annotated Reactive CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2CNC(=O)[C@]23CCC(=O)N3Cc2ccccc2)cc1 ZINC000195501065 JJ Annotated Reactive CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]2(C#N)[C@@H](c2ccccc2)N1 ZINC000195503534 JJ Annotated Mild CC1=C(C)[C@@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@H]3c3ccccc3)[C@@]2(C#N)[C@@H](c2ccccc2)N1 ZINC000195503536 JJ Annotated Mild CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@H]3c3ccccc3)[C@@]2(C#N)[C@@H](c2ccccc2)N1 ZINC000195503539 JJ Annotated Mild CC(C)(Br)[C@H](Br)CC[C@@](C)(Br)[C@@H](Br)CO ZINC000195506523 JJ Annotated Reactive CC(C)(Br)[C@@H](Br)CC[C@](C)(Br)[C@@H](Br)CO ZINC000195506525 JJ Annotated Reactive CC(C)(Br)[C@H](Br)CC[C@](C)(Br)[C@@H](Br)CO ZINC000195506528 JJ Annotated Reactive O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000195509923 JJ Annotated Mild O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000195509925 JJ Annotated Mild O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2[C@@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000195509928 JJ Annotated Mild O=C1C=CC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]12)[C@H]1[C@H]3[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000195509929 JJ Annotated Mild C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\CCCC[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000195512113 JJ Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/CCCC[C@@H](C)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000195512115 JJ Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\CCCC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000195512118 JJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520648 JJ Annotated Anodyne CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520650 JJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520652 JJ Annotated Anodyne CN1C[C@@H](c2ccc(OC(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195524279 JJ Annotated Clean CN1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000195524280 JJ Annotated Clean C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@@]21C ZINC000196169029 JJ Annotated Mild Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(O)cc(O)cc4[C@H]2[C@H]3c2ccc(O)cc2O)cc1 ZINC000196521548 JJ Annotated Anodyne C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC(=O)OC ZINC000197246634 JJ Annotated Mild COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)O[C@@H](OC(=O)CC(C)C)[C@H]23)cc1OC ZINC000197246823 JJ Annotated Anodyne COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(c4ccccc4)c4ccccc43)[C@@H]2C)cc1 ZINC000197498238 JJ Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C/[C@H]2[C@@H](OC(=O)C(C)C)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H]1C2(C)C ZINC000197932938 JJ Annotated Mild CC(=O)O[C@@H]1C/C(C)=C/[C@H]2[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H]1C2(C)C ZINC000197932946 JJ Annotated Mild C=CC[C@@H]1C=C[C@@H](Oc2ccc(OC)cc2)[C@H](COC(=O)c2ccc(Br)cc2)O1 ZINC000198015829 JJ Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000198042216 JJ Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]12 ZINC000198042404 JJ Annotated Mild COC(=O)CCCC(=O)c1ccc(C(=O)CC/C=C(Br)/C=C\Br)o1 ZINC000198354480 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OC ZINC000198397703 JJ Annotated Anodyne C[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@](C)(O)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1 ZINC000198432138 JJ Annotated Anodyne C[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]3(C)O[C@@]4(CC[C@]3(C)[C@H]1CCC[C@]21CO1)COC(=O)C4 ZINC000198432155 JJ Annotated Anodyne C[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]3(C)O[C@]4(CC[C@]3(C)[C@H]1CCC[C@]21CO1)COC(=O)C4 ZINC000198432167 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccc(C)cc1 ZINC000198497371 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@H]1c1ccccc1 ZINC000198497529 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@H]1c1ccc(OC)cc1 ZINC000198498202 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(C)cc1 ZINC000198609363 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccc(OC)cc1 ZINC000198609647 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(OC)cc1 ZINC000198609692 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000198712043 JJ Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000198802558 JJ Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000198804603 JJ Annotated Mild CC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCCc2ccc(OCC(=O)O)cc2C1 ZINC000198817754 JJ Annotated Anodyne in-vivo CCCN1CCC(Nc2cc(N3CCCC3)nc3cc(-c4nc5cc(C)ccc5nc4C)nn23)CC1 ZINC000199074797 JJ Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000199206963 JJ Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000199206978 JJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000199228461 JJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000199228483 JJ Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(CCc3ccccc3)nn2)on1 ZINC000199229430 JJ Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(CCc3ccccc3)nn2)on1 ZINC000199229450 JJ Annotated Anodyne C[C@@H]1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)cc2C#N)CCN1Cc1ccccc1 ZINC000199267992 JJ Annotated Mild C[C@H]1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)cc2C#N)CCN1Cc1ccccc1 ZINC000199270498 JJ Annotated Mild C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c(C#N)c1 ZINC000199270628 JJ Annotated Mild C[C@H]1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2C#N)CCN1Cc1ccccc1 ZINC000199270656 JJ Annotated Mild CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000199359325 JJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000199359357 JJ Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1Cl ZINC000199360719 JJ Annotated Bother CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000199365024 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000199365044 JJ Annotated Anodyne COc1ccc(NC(=O)N2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(N3CCCCC3)cc2)cc1 ZINC000199388874 JJ Annotated Clean O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000199391437 JJ Annotated Anodyne CCCCCc1c(Oc2cc(OC)cc3c2C(=O)O[C@@]3(O)CCCC)c(O)cc(O)c1C(=O)O ZINC000199421578 JJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(Cl)cc1 ZINC000199422191 JJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199422207 JJ Annotated Anodyne CCNC1=N[C@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199429338 JJ Annotated Anodyne CCNC1=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199429356 JJ Annotated Anodyne C=CCNC1=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430194 JJ Annotated Mild C=CCNC1=N[C@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430208 JJ Annotated Mild CCNC1=N[C@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431427 JJ Annotated Anodyne CCNC1=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431438 JJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(Cl)c1 ZINC000199432899 JJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199432918 JJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(Cl)cc1 ZINC000199432984 JJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199432997 JJ Annotated Anodyne Oc1ccc([C@@H](O)[C@H]2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000199529732 JJ Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]([C@@H](O)c3ccc(O)cc3)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000199529754 JJ Annotated Anodyne Oc1ccc([C@H](O)[C@@H]2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000199529769 JJ Annotated Anodyne CC(=O)[C@H]1[C@@H](O)C[C@@H](/C(C)=C2\C(=O)C[C@@H]3[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]32C)[C@@H]1/C=C(\C)C(=O)O ZINC000199545557 JJ Annotated Mild CC(=O)O[C@@H]1C=C[C@@H](C#Cc2ccc(C(C)(C)C)cc2)O[C@@H]1COC(=O)NCc1ccccc1 ZINC000199721113 JJ Annotated Mild COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(CC(C)C)C2 ZINC000199732451 JJ Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc(C(F)(F)F)cc6)cccc5c4CCN3C(=O)[C@@H]12 ZINC000199738305 JJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccccc1 ZINC000199739595 JJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)C(=O)C1CCCCC1 ZINC000199740607 JJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)Cc1ccccc1 ZINC000199740718 JJ Annotated Anodyne O=C(CN1C(=O)/C(=C/c2c(Cl)ccc(Cl)c2Cl)SC1=S)NCc1ccccn1 ZINC000199845115 JJ Annotated Clean C[C@H]1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)CCC[C@]21C ZINC000199901486 JJ Annotated Anodyne Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl ZINC000199943278 JJ Annotated Anodyne Cc1cc(Nc2cc(-c3ccc(F)c(N4Cc5cc(C(C)(C)C)sc5C4=O)c3)n[nH]c2=O)nn1C ZINC000199974344 JJ Annotated Anodyne N#Cc1ccc2c(c1)[C@@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1CO2 ZINC000002007089 JJ Annotated Mild C[N+](C)(C)CCCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O ZINC000002007859 JJ Annotated Bother CC(C)(C)C(=O)c1ccc(C(=O)O/C(=N\OCCO)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000002014111 JJ Annotated Mild CC(C)(C)C(=O)c1ccc(C(=O)O/C(=N\OCC(=O)O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000002014115 JJ Annotated Mild O=C(O)c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 ZINC000002022175 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000002029752 JJ Annotated Anodyne Cc1sc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)O)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000002101553 JJ Annotated Anodyne C[C@@H](/C(O)=N/Cc1c(F)cccc1Cl)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002110672 JJ Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002116558 JJ Annotated Anodyne Cc1cc(O[C@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002116562 JJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/Cc2c(F)cccc2Cl)C(=O)[C@@]31C ZINC000002125046 JJ Annotated Mild CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c(Cl)cc12 ZINC000002126012 JJ Annotated Anodyne CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c(Cl)cc12 ZINC000002126014 JJ Annotated Anodyne CCCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000002161301 JJ Annotated Anodyne CCCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000002161311 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@]12CC[C@](C(Br)Br)([C@@H]1Br)C2(C)C ZINC000002172661 JJ Annotated Reactive Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)no1 ZINC000002250264 JJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)no1 ZINC000002250265 JJ Annotated Anodyne CCOC(=O)Cn1c(=O)c(-c2cc(Br)ccc2NC)nc2cc3ccccc3cc21 ZINC000002471208 JJ Annotated Bother COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002478167 JJ Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000002478234 JJ Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000002478265 JJ Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002478413 JJ Annotated Bother COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000002480399 JJ Annotated Anodyne COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481218 JJ Annotated Bother COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482243 JJ Annotated Anodyne COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000002482302 JJ Annotated Anodyne COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000002482329 JJ Annotated Anodyne O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482510 JJ Annotated Bother COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000002483329 JJ Annotated Anodyne CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000002483348 JJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002483353 JJ Annotated Bother COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)c1OC ZINC000002483459 JJ Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)c1OC ZINC000002483580 JJ Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000002483585 JJ Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)cc1OC ZINC000002483810 JJ Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000002485131 JJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487632 JJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487634 JJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487637 JJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487639 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487905 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487908 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487912 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002487914 JJ Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002488025 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NC)CC(C)(C)O2 ZINC000002488214 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NC)CC(C)(C)O2 ZINC000002488216 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000002488573 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC(C)(C)O2 ZINC000002488575 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC(C)(C)O2 ZINC000002488795 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NC)CC(C)(C)O2 ZINC000002488796 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002489089 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002489091 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002489095 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002489097 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489247 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489248 JJ Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489249 JJ Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489250 JJ Annotated Anodyne C[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)c1ccco1 ZINC000002489346 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489348 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489352 JJ Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489354 JJ Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489357 JJ Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489393 JJ Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489395 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489411 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489412 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC1(CCCCC1)O2 ZINC000002491383 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC1(CCCCC1)O2 ZINC000002491385 JJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491947 JJ Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491948 JJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492020 JJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492022 JJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492023 JJ Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492025 JJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492267 JJ Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492269 JJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492271 JJ Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492273 JJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492282 JJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492284 JJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492287 JJ Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492289 JJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492295 JJ Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492297 JJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492610 JJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492612 JJ Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000002492886 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000002493248 JJ Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002498694 JJ Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000002498697 JJ Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002498700 JJ Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000002498702 JJ Annotated Anodyne CC(C)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000002499590 JJ Annotated Anodyne CC(C)c1ccc(N(C)C(=O)c2cnc(N3CCN(c4ncccn4)CC3)c3ccccc23)cc1 ZINC000020104071 JJ Annotated Anodyne CCOc1cc2c(/C(O)=N/c3ccc4c(c3)OCO4)cn(CC(C)C)c(=O)c2cc1OCC ZINC000020104731 JJ Annotated Mild CCOc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1C ZINC000020115828 JJ Annotated Anodyne O=C(CCS(=O)(=O)c1ccc(Br)s1)NC(c1ccccc1)c1ccccc1 ZINC000020137299 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)C1 ZINC000020152522 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)C1 ZINC000020152524 JJ Annotated Anodyne COc1cccc(/N=C(\O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000020154339 JJ Annotated Anodyne COc1cccc(/N=C(\O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000020154341 JJ Annotated Anodyne Cc1cc(/N=C(\O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)ccc1Br ZINC000020181858 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000020190533 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000020190537 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000020190558 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000020190561 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000020190686 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000020190690 JJ Annotated Mild Cc1cc(/N=C(\O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)ccc1Br ZINC000020215834 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1O ZINC000020324386 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1O ZINC000020324392 JJ Annotated Anodyne O=C(CNc1ncnc2onc(-c3ccc(F)cc3)c12)N(Cc1cccs1)C1CCCC1 ZINC000020330098 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3C)cc2[nH]1 ZINC000200036206 JJ Annotated Anodyne in-man COC(=O)Nc1nc2ccc([C@]3(O)c4ccccc4C(=O)N3c3cc(Cl)ccc3C)cc2[nH]1 ZINC000200036231 JJ Annotated Anodyne in-man C[Si](C)(C)CCOC(=O)[C@@H]1[C@H]2CC(=O)[C@@H](c3cc(O)ccc32)[C@H]1C(=O)OCc1cccc(F)c1 ZINC000200069047 JJ Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=C1\NC(=O)C(=O)NC1=O ZINC000200107619 JJ Annotated Mild CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@H]1O)[C@@H]1CC=C(C)CC1 ZINC000200168385 JJ Annotated Anodyne CC/C(C)=C\C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)[C@@H]1O ZINC000200177581 JJ Annotated Anodyne CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc(C#N)cc3)C2)N=C1N ZINC000200287146 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c(-c4ccc(S(C)(=O)=O)cc4)csc23)CC1 ZINC000200962132 JJ Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000201441093 JJ Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc4c(cc3nc2NCC)OCO4)c2cc(OC)c(OC)cc12 ZINC000201607944 JJ Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCCOC)c2cc(OC)c(OC)cc12 ZINC000201612858 JJ Annotated Anodyne CCNc1nc2cc(F)c(OC)cc2cc1Cc1c(=O)[nH]c(CC)c2cc(OC)c(OC)cc12 ZINC000201615843 JJ Annotated Anodyne C[C@H](CCCC(N)=O)C[C@@H](OC(=O)[C@H](C)CC/C=C/I)C(C)(C)C ZINC000202188647 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)[C@@H](O)[C@@H]1O ZINC000202798522 JJ Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)O[C@@H](C)[C@H]1O ZINC000202872926 JJ Annotated Anodyne C=C[C@@]1(C)CC(=O)C2=C(O[C@H]3O[C@](C)([C@@H]4C[C@H]5[C@@](C)(CCC[C@@]5(C)O)CC4=O)C(=O)[C@@]23C)[C@@H]1C(=C)C ZINC000203446099 JJ Annotated Mild CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCCC(C)C ZINC000203464359 JJ Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCCC1 ZINC000203464726 JJ Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464775 JJ Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464823 JJ Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464836 JJ Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464868 JJ Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464883 JJ Annotated Mild C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000203467239 JJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000203467297 JJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000203467619 JJ Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)c3ccco3)[C@H]([C@H](C)O)C(=O)N2CC4)c1 ZINC000203468674 JJ Annotated Anodyne CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5cccc(C)c5)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203468822 JJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@@H]2CC(=O)NCCC(C)C ZINC000203469331 JJ Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccccc1 ZINC000203469393 JJ Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(C)o1 ZINC000203469408 JJ Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(-c4ccccc4)nn3)ccc21 ZINC000203470350 JJ Annotated Anodyne CC(C)CN1C(=O)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(-c4ccccc4)nn3)ccc21 ZINC000203470355 JJ Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)c2cc(-n3cc(-c4ccccc4)nn3)ccc21 ZINC000203470376 JJ Annotated Anodyne CC(C)CN1C(=O)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)c2cc(-n3cc(-c4ccccc4)nn3)ccc21 ZINC000203470380 JJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470959 JJ Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccsc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470966 JJ Annotated Anodyne COc1ccc(CN2C/C(=C/c3ccccc3)N3C(=O)C[C@@H](c4ccccc4)N=C23)c(OC)c1 ZINC000203471799 JJ Annotated Anodyne COc1ccc(/C=C2/CN(Cc3ccc(OC)cc3OC)C3=N[C@H](c4ccccc4)CC(=O)N32)cc1 ZINC000203471916 JJ Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCC(C)C ZINC000203472269 JJ Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(C)o1 ZINC000203472309 JJ Annotated Anodyne O=c1c2ccccc2n(Cc2ccno2)n1[C@@H](Cc1ccccc1)Cn1cc(C2CCCC2)nn1 ZINC000203473876 JJ Annotated Anodyne COc1ccc(C(=O)[C@]2(C(=O)NCc3ccccc3)CC(c3ccccc3C(F)(F)F)=NO2)cc1 ZINC000203473987 JJ Annotated Anodyne COc1ccc(C(=O)[C@@]2(C(=O)NCc3ccccc3)CC(c3ccccc3C(F)(F)F)=NO2)cc1 ZINC000203473993 JJ Annotated Anodyne COc1ccc(C(=O)[C@]2(C(=O)NC3CCCC3)CC(c3ccccc3C(F)(F)F)=NO2)cc1 ZINC000203474007 JJ Annotated Anodyne COc1ccc(C(=O)[C@@]2(C(=O)NC3CCCC3)CC(c3ccccc3C(F)(F)F)=NO2)cc1 ZINC000203474011 JJ Annotated Anodyne c1cc2cc(-c3ccc(-c4cn5ccc(C6=NCCCN6)cc5n4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000204891387 JJ Annotated Anodyne COC1CCN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CC1 ZINC000204974708 JJ Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC7(CCOCC7)C6)cc5c4)n3c2)cn1 ZINC000204983381 JJ Annotated Anodyne CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)nnc12 ZINC000020530617 JJ Annotated Anodyne CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)nnc12 ZINC000020530619 JJ Annotated Anodyne CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000020562060 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000020562063 JJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000020562066 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000020562069 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000020562072 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000020562075 JJ Annotated Mild COc1ccc(OC)c([C@@H]2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)no4)s3)C2)c1 ZINC000020581089 JJ Annotated Anodyne COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)no4)s3)C2)c1 ZINC000020581092 JJ Annotated Anodyne Cc1ccc(CN2CC[C@@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)no4)s3)C2)cc1 ZINC000020581212 JJ Annotated Anodyne Cc1ccc(CN2CC[C@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)no4)s3)C2)cc1 ZINC000020581217 JJ Annotated Anodyne O=S(=O)(NCCN(Cc1ccco1)C1CCCC1)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581221 JJ Annotated Anodyne CC(C)(C)N(CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)Cc1ccco1 ZINC000020581224 JJ Annotated Anodyne O=S(=O)(NCc1ccc(CN2CCCCCC2)o1)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581230 JJ Annotated Anodyne COCCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581304 JJ Annotated Anodyne CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000020597995 JJ Annotated Anodyne Cc1cccc(N2CCN(C(=O)CC3(CC4=NS(=O)(=O)c5ccccc5N4)CCCC3)CC2)c1C ZINC000020618419 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000020908502 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000020908505 JJ Annotated Anodyne CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@@H]1C(=O)c1c(O)cc(O)cc1C2=O ZINC000205075219 JJ Annotated Reactive CC1(C)C(=O)Nc2nc(-n3nc(Cc4c(F)ccc(F)c4F)c4cc(Cl)ccc43)ncc21 ZINC000205086808 JJ Annotated Anodyne CN(C)c1ccc(C(=O)n2c3ccccc3c3nnc(SCc4ccccc4C#N)nc32)cc1 ZINC000205094956 JJ Annotated Mild CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)ncc1F ZINC000205150435 JJ Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)ncc1F ZINC000205150467 JJ Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 ZINC000205159166 JJ Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)CCN1C(=O)c1csc2ccccc12 ZINC000205168327 JJ Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc3cc[nH]c3c2)CCN1C(=O)c1csc2ccccc12 ZINC000205168346 JJ Annotated Anodyne COc1ccc(-c2c(-c3nc(CC(=O)NCC4CCOCC4)cs3)cnn2C(C)(C)C)cc1F ZINC000205169771 JJ Annotated Anodyne N#Cc1ccccc1CN1CCN(c2ncc(C(=O)Nc3cccc(OC(F)(F)F)c3)s2)C1=O ZINC000205208061 JJ Annotated Mild O=C(Nc1cccc(C(F)(F)F)c1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205209393 JJ Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205212553 JJ Annotated Anodyne CC(C)c1ccc(NC(=O)C2=CN3CCN(Cc4ccccc4C(F)(F)F)C(=O)N=C3O2)cc1 ZINC000205212571 JJ Annotated Anodyne O=C(Nc1ccc(Oc2ccccc2)cc1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205213847 JJ Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)Nc3cccc(Cc4ccccc4)c3)OC2=NC1=O ZINC000205213983 JJ Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205215775 JJ Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)Nc3ccc(Oc4ccccc4)cc3)=COC2=NC1=O ZINC000205219787 JJ Annotated Anodyne O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205220526 JJ Annotated Anodyne O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205220543 JJ Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)Nc3ccc(Oc4ccccc4)cc3)OC2=NC1=O ZINC000205224729 JJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)N(Cc2cccc(OC)c2)C(=O)COC3)c1 ZINC000205226128 JJ Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(F)(F)F)cc2)c1 ZINC000205231955 JJ Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205231990 JJ Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205232007 JJ Annotated Anodyne CC1=CC[C@H]([C@](C)(O)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@H]2O[C@@]23C=CC(=O)OC(C)(C)[C@@H]3CC4)OC1=O ZINC000205371279 JJ Annotated Anodyne CN1CCN(C23C[C@H](NCCCN4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000205392457 JJ Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)NC4(c5ccc(Cl)cc5)CCOCC4)ncc23)ccn1 ZINC000205428569 JJ Annotated Anodyne Cc1cc(-c2n[nH]c3c(Br)c(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1 ZINC000205428637 JJ Annotated Anodyne C[N+](C)(C)C[C@H](c1c[nH]c2cc(Br)ccc12)c1c(=O)c(O)c2[nH]ccc3[nH]ccc1c32 ZINC000205428988 JJ Annotated Bother COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC ZINC000205433234 JJ Annotated Anodyne C=C(C)C(=O)Cc1c(-c2ccc(O)cc2O)oc2cc(OC)c(/C=C/C(C)C)c(O)c2c1=O ZINC000205482944 JJ Annotated Mild CO[C@@H]1Cc2ccccc2CN(S(=O)(=O)c2cccc3cccnc23)[C@@H]1Cc1ccccc1 ZINC000205483337 JJ Annotated Anodyne CC(=O)c1c(C)c(-c2c(C)c(C(C)=O)c(O)c3c(O)cc(O)cc23)c2cc(O)cc(O)c2c1O ZINC000205693481 JJ Annotated Anodyne C[C@](Cl)(CBr)[C@H](O)CC/C(=C/Br)[C@H](Cl)CBr ZINC000205702907 JJ Annotated Reactive COc1ccc(CCNC(=O)c2c(N)[nH]c(C(=O)c3ccccc3)c2-c2ccc(N(C)C)cc2)cc1 ZINC000205703560 JJ Annotated Anodyne O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CC=C[C@@H]2CCN(CC3CC3)C(=O)[C@@H]21 ZINC000205705119 JJ Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)N2CCN(c3ccccc3)CC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205710768 JJ Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2ccc(OC)c(OC)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713134 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(COC(C)(C)OC3)C[C@H]2CON2C(C)(C)CCCC2(C)C)cc1 ZINC000205715786 JJ Annotated Anodyne N/C(=N\C(=O)/C=C/c1ccccc1Br)N(CC#Cc1ccccc1)CC#Cc1ccccc1 ZINC000205717410 JJ Annotated Mild COC(=O)[C@H]1C[C@]2([C@H](/C=C(\C)CCC=C(C)C)S(=O)(=O)c3ccccc3)c3ccccc3N[C@H]2N1 ZINC000205718052 JJ Annotated Anodyne COC(=O)[C@H]1C[C@]2([C@@H](/C=C(\C)CCC=C(C)C)S(=O)(=O)c3ccccc3)c3ccccc3N[C@H]2N1 ZINC000205718071 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1ccc(C(F)(F)F)cc1Cl ZINC000205732956 JJ Annotated Anodyne CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cn1 ZINC000205741433 JJ Annotated Anodyne C=C(C)CCC/C(C)=C/[C@@H]1C[C@@](C)(OC(C)=O)C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000205774186 JJ Annotated Mild CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838764 JJ Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838787 JJ Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838805 JJ Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838823 JJ Annotated Clean Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)NCc1ccncc1 ZINC000205855742 JJ Annotated Anodyne CCOC(=O)[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858221 JJ Annotated Anodyne CCOC(=O)[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858235 JJ Annotated Anodyne CCOC(=O)[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000205858487 JJ Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000205858505 JJ Annotated Anodyne CCOC(=O)[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1C1CCCCC1 ZINC000205858568 JJ Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1C1CCCCC1 ZINC000205858587 JJ Annotated Anodyne CCCCCn1nnnc1[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)C(=O)OCC ZINC000205858650 JJ Annotated Anodyne CCCCCn1nnnc1[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)C(=O)OCC ZINC000205858668 JJ Annotated Anodyne CCOC(=O)[C@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)C ZINC000205858870 JJ Annotated Anodyne CCOC(=O)[C@@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)C ZINC000205858889 JJ Annotated Anodyne CC(=O)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccccc1Cl)C(=O)C(=O)c1cccs1 ZINC000205860605 JJ Annotated Anodyne CC(=O)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccccc1Cl)C(=O)C(=O)c1cccs1 ZINC000205860623 JJ Annotated Anodyne CC1=Nc2ccccc2CN(C(=O)C(=O)c2cccs2)[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000205860864 JJ Annotated Anodyne CC1=Nc2ccccc2CN(C(=O)C(=O)c2cccs2)[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000205860883 JJ Annotated Anodyne CCCCNC(=O)[C@@H](C(=O)c1ccccc1)N(C(=O)C(=O)c1ccccc1)c1c(C)cccc1C ZINC000205861025 JJ Annotated Anodyne CCCCNC(=O)[C@H](C(=O)c1ccccc1)N(C(=O)C(=O)c1ccccc1)c1c(C)cccc1C ZINC000205861049 JJ Annotated Anodyne CC[C@H](CC[C@](C)(O)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000205867787 JJ Annotated Mild C/C=C(/CC[C@](C)(O)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000205867853 JJ Annotated Mild O=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ncnc4ccsc34)c(F)c2)c1 ZINC000205989439 JJ Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2[C@H](c3nc4c(OCC5CCOCC5)cccc4[nH]3)[C@H]3CC[C@@H]2C3)c1 ZINC000206017053 JJ Annotated Anodyne COc1cc(NC(=O)c2csc([C@@H](O)c3ccc(C(C)(C)C)cc3)n2)cc(OC)c1OC ZINC000206019442 JJ Annotated Anodyne COc1cc(NC(=O)c2csc([C@H](O)c3ccc(C(C)(C)C)cc3)n2)cc(OC)c1OC ZINC000206019460 JJ Annotated Anodyne COC(=O)[C@]1(C#N)[C@H](CC(C)C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000206021146 JJ Annotated Mild COC(=O)[C@]1(C#N)[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000206021218 JJ Annotated Mild CCOC(=O)N1C(=O)C[C@](Sc2ccc(OC)cc2)(c2nc(C)no2)[C@H]1c1ccc(OC)cc1 ZINC000206024851 JJ Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2ccc(Cl)cc21 ZINC000206032425 JJ Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc3c(C)cc(=O)oc3c2)c2ccc(Cl)cc21 ZINC000206032442 JJ Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc21 ZINC000206033025 JJ Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc21 ZINC000206033048 JJ Annotated Anodyne C=C1N(S(=O)(=O)C(F)(F)F)CC[C@@]12c1ccccc1N(C)[C@@H]2c1cn(C)c2ccccc12 ZINC000206037653 JJ Annotated Mild Cc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)o1 ZINC000206039565 JJ Annotated Anodyne CN(C)c1ccc(C(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206039696 JJ Annotated Anodyne CN(C)c1cccc(C(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)c1 ZINC000206039761 JJ Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CC[C@]23CCCN13 ZINC000206040430 JJ Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041746 JJ Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041957 JJ Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042435 JJ Annotated Anodyne N#Cc1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206045129 JJ Annotated Mild N#Cc1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@@H]2Cc2ccccc2)cc1 ZINC000206045150 JJ Annotated Mild COC(=O)[C@]1(O)C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1c1ccc(Br)cc1 ZINC000206047082 JJ Annotated Anodyne COC(=O)[C@]1(O)C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1c1ccc(Br)cc1 ZINC000206047132 JJ Annotated Anodyne COC(=O)[C@](O)(c1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000206048403 JJ Annotated Anodyne COC(=O)[C@](O)(c1ccccc1)[C@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000206048425 JJ Annotated Anodyne COC(=O)[C@@](O)(c1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000206048444 JJ Annotated Anodyne COC(=O)[C@@](O)(c1ccccc1)[C@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000206048465 JJ Annotated Anodyne CCCC[Sn](CCCC)(CCCC)c1nnn(Cc2ccc(OC)cc2)n1 ZINC000206056219 JJ Annotated Anodyne Cn1cc(-c2cc(F)ccc2-c2nccc3cc(S(=O)(=O)Nc4nccs4)ccc23)cn1 ZINC000206089889 JJ Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206093362 JJ Annotated Anodyne COc1cc(NS(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4OC)nccc3c2)ncn1 ZINC000206101711 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccnc(C)n3)ccc12 ZINC000206101743 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncncc3F)ccc12 ZINC000206105451 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000206105488 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cccnn3)ccc12 ZINC000206105526 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cnccn3)ccc12 ZINC000206105559 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cc(C)ncn3)ccc12 ZINC000206105587 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncccn3)ccc12 ZINC000206105620 JJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(F)cc3Oc3cccnn3)nccc2c1 ZINC000206110624 JJ Annotated Anodyne CC(C)c1c2c(nn1Cc1nn[nH]n1)C(=O)N(c1cccc(Cl)c1F)[C@@H]2c1ccc(Cl)cc1 ZINC000206112724 JJ Annotated Anodyne CC(C)c1c2c(nn1Cc1nn[nH]n1)C(=O)N(c1cccc(Cl)c1F)[C@H]2c1ccc(Cl)cc1 ZINC000206112759 JJ Annotated Anodyne COc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccn(CCN(C)C)n3)ccc12 ZINC000206131758 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c([C@H]3CCCN3Cc3ccccc3)cccc2c1 ZINC000206159360 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c([C@@H]3CCCN3Cc3ccccc3)cccc2c1 ZINC000206159394 JJ Annotated Anodyne C=CC[C@H](C(=O)OCC)[C@H]1[C@H](N(CC=C)C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000206757522 JJ Annotated Mild Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1CN1CCN(C)CC1 ZINC000206802223 JJ Annotated Mild Cc1cnccc1/C=C\c1cccc(OCCCN2CCc3ccc(S(C)(=O)=O)cc3CC2)c1 ZINC000206802563 JJ Annotated Anodyne O=C(c1ccc(-c2ccccn2)s1)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877358 JJ Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(Cl)c3)ccc2=O)c1 ZINC000206933961 JJ Annotated Anodyne Cc1ccc[n+]2c(=O)c(-c3cc(Cl)cc(Cl)c3)c(O)n(Cc3cnc(Cl)s3)c12 ZINC000207174299 JJ Annotated Anodyne in-vitro CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1N ZINC000207255616 JJ Annotated Anodyne O=C(N[C@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1 ZINC000207484497 JJ Annotated Anodyne Cc1ccc(Sc2ccc(NC(=O)C[C@@H]3C(=O)N[C@@H](c4ccccn4)N[C@H]3C)cc2)cc1C ZINC000207503780 JJ Annotated Anodyne Cc1ccc(Sc2ccc(NC(=O)C[C@@H]3C(=O)N[C@@H](c4ccccn4)N[C@@H]3C)cc2)cc1C ZINC000207503861 JJ Annotated Anodyne O=C1N[C@@H](c2ccco2)CC[C@H]1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000207804186 JJ Annotated Anodyne O=C1N[C@@H](c2ccco2)CC[C@@H]1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000207804229 JJ Annotated Anodyne O=C1N[C@H](c2ccco2)CC[C@H]1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000207804270 JJ Annotated Anodyne O=C1N[C@H](c2ccco2)CC[C@@H]1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000207804309 JJ Annotated Anodyne COc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2c(n1)C(=O)N(C(=O)OC(C)(C)C)CC2 ZINC000208076201 JJ Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(-n3c(/C=C(/C#N)C(N)=O)cc4ccccc43)nc12 ZINC000208177670 JJ Annotated Reactive CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000208225178 JJ Annotated Anodyne C[C@]12CC[C@H](COC(=O)c3ccccc3)[C@@](C)(CCc3ccoc3)[C@@H]1C[C@H](O)C=C2C(=O)O ZINC000208235429 JJ Annotated Anodyne COC(=O)C[C@@]12CCCN3CC[C@@]4(c5ccccc5N(C(=O)/C=C/c5ccccc5)[C@H]4CC1)[C@@H]32 ZINC000208253244 JJ Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)n2ccc(C)nc12)C(=O)C1CC1 ZINC000208542076 JJ Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-c1nn(CC(=O)O)c2cccc(F)c12)C(=O)C1CC1 ZINC000208605888 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000208643573 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000208643607 JJ Annotated Anodyne CCc1ccc2c(CC(=O)O)cn(-c3ccc(C(F)(F)F)cc3CN(CC)C(=O)C3CC3)c2n1 ZINC000208711574 JJ Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)c2ccc(C)nn12)C(=O)C1CC1 ZINC000208739707 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(Br)c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000209791324 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(Br)c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000209791356 JJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](O)[C@H](C)[C@@H]1C)OCO3 ZINC000210795954 JJ Annotated Anodyne O=C1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000211061330 JJ Annotated Anodyne COc1c(C)c(-c2c(C)c(OC)c(O)c3c(C=O)c(O)ccc23)c2ccc(O)c(C=O)c2c1O ZINC000211214289 JJ Annotated Anodyne COc1c(C)c(-c2c(C)c(OC)c3c4c(c(O)ccc24)C(=O)O3)c2ccc(O)c3c2c1OC3=O ZINC000211214364 JJ Annotated Anodyne COc1c(C)c(-c2c(C)c(OC)c3c4c(c(O)ccc24)C(=O)O3)c2ccc(O)c(C=O)c2c1O ZINC000211214438 JJ Annotated Anodyne Cc1nc(Nc2ncc(/C=C\c3ccc(Cl)c4[nH]ccc34)s2)cc(N2CCNCC2)n1 ZINC000211613409 JJ Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2Cl)[C@H]1NC(C)=O ZINC000213848750 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cccc(Br)c2)[C@]12C(=O)Nc1ccccc12 ZINC000214049840 JJ Annotated Anodyne COc1cc2c(c(O)c1OC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)Cl)CNC2=O ZINC000214678521 JJ Annotated Clean Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)c3ccco3)nn2c(O)c1Cc1ccccc1 ZINC000021660245 JJ Annotated Anodyne Cc1nc2nc(N(Cc3ccccc3)C(=O)c3ccco3)nn2c(O)c1Cc1ccccc1Cl ZINC000021660261 JJ Annotated Anodyne Cc1ccc(CNc2nc3nc(C)c(CCC(=O)Nc4cccc5ccccc45)c(O)n3n2)cc1 ZINC000021804180 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215502731 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215503359 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncc(O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215504637 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nncc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215506192 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nncc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000215506263 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cnnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215506487 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215506620 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1c(N)cnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215507450 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)ncc12 ZINC000215508768 JJ Annotated Anodyne COc1ccccc1-c1c(Br)cnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215509816 JJ Annotated Anodyne COc1cc(-c2cccnc2)c(F)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215514119 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cnsn3)ccc12 ZINC000215515972 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215516036 JJ Annotated Anodyne COc1cc(-c2nccs2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215518497 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nc(C)nc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215521342 JJ Annotated Anodyne COc1nc(-c2ccc(C(F)(F)F)cc2OC)c2ccc(S(=O)(=O)Nc3nccs3)cc2n1 ZINC000215522023 JJ Annotated Anodyne COc1cc(C(F)F)c(F)cc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215522438 JJ Annotated Anodyne COc1cc(C(F)F)c(F)cc1-c1ncnc2cc(S(=O)(=O)Nc3cscn3)ccc12 ZINC000215522515 JJ Annotated Anodyne COc1cc(-c2cccc(F)c2)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215524037 JJ Annotated Anodyne CC(C)(C)OC(=O)O[C@@H]1C[C@H](CC(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000215767430 JJ Annotated Anodyne CC(C)(C)OC(=O)O[C@H]1C[C@H](CC(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000215767472 JJ Annotated Anodyne CC(C)(C)OC(=O)O[C@H]1C[C@@H](CC(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000215767519 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CCOCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216241375 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216241438 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCC(C(F)(F)F)CC2)cc1F ZINC000216246889 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc([C@@H]2CC2(F)F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216250995 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc([C@H]2CC2(F)F)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216251044 JJ Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCC3(CCCCC3)CC2)cc1F ZINC000216260687 JJ Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cncc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217119769 JJ Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3C)cnc2[nH]1 ZINC000217123168 JJ Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217123185 JJ Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc(-c3cscn3)cc2)[nH]1 ZINC000217413400 JJ Annotated Anodyne CC(C)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000217613652 JJ Annotated Anodyne CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c4cccnc34)cc2)CC1 ZINC000217626907 JJ Annotated Anodyne CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1 ZINC000217628033 JJ Annotated Anodyne CC(C)CC1(C=O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000217749248 JJ Annotated Mild C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 ZINC000217946766 JJ Annotated Anodyne CC(C)S(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1 ZINC000218113417 JJ Annotated Mild CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC(C(F)(F)F)CC1 ZINC000218444953 JJ Annotated Anodyne CCOc1ncc2ccccc2c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218523728 JJ Annotated Anodyne CCOc1ccc2cccnc2c1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218524052 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncc(F)cn3)ccc12 ZINC000218628654 JJ Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(Br)c2)c(F)c1 ZINC000218628741 JJ Annotated Anodyne O=C(N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000218740579 JJ Annotated Anodyne COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(OC)nc4ccccc43)nc12 ZINC000218971110 JJ Annotated Anodyne C=CC(=O)NCc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 ZINC000219001100 JJ Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(-n3c(CNC(C)=O)cc4ccccc43)nc12 ZINC000219014892 JJ Annotated Anodyne COc1cccc(CCSc2nc(N3C[C@H](C)O[C@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000219269773 JJ Annotated Mild COc1cccc(CCSc2nc(N3C[C@H](C)O[C@@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000219269822 JJ Annotated Mild COc1cccc(CCSc2nc(N3C[C@@H](C)O[C@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000219269867 JJ Annotated Mild C[C@H]1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219344915 JJ Annotated Mild C[C@H]1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000219344979 JJ Annotated Mild C[C@@H]1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219345045 JJ Annotated Mild CC(=O)Nc1ccc(CCSc2nc(N3C[C@H](C)O[C@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000219394121 JJ Annotated Mild in-vitro CC(=O)Nc1ccc(CCSc2nc(N3C[C@H](C)O[C@@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000219394185 JJ Annotated Mild CC(=O)Nc1ccc(CCSc2nc(N3C[C@@H](C)O[C@H](C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000219394271 JJ Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1c-2nc(C(N)=O)n1Cc1ccccc1Cl ZINC000219478750 JJ Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1Cc1ccccc1Cl ZINC000219498240 JJ Annotated Mild Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(F)c(C(F)(F)F)c1Cl)C2 ZINC000219510886 JJ Annotated Anodyne Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(F)c(C(F)(F)F)c1Cl)C2 ZINC000219510957 JJ Annotated Anodyne CCN(c1cc(Cl)cc(C(=O)NCc2c(C(F)(F)F)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000219546244 JJ Annotated Anodyne CONC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c(Cl)c1 ZINC000219757442 JJ Annotated Anodyne O=C(CSc1ncncc1-c1cccc2ccccc12)Nc1ccc(C(=O)NO)cc1Cl ZINC000219757548 JJ Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(C(F)(F)F)nc3)c2cn1)c1ccc(F)cc1 ZINC000219759449 JJ Annotated Anodyne CC(C)CN(C)c1ncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)cn1 ZINC000219759648 JJ Annotated Anodyne O=C(CSc1ncncc1-c1cccc2ccccc12)Nc1ccc(C(=O)O)nc1Cl ZINC000219766250 JJ Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953422 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953508 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953571 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219954238 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219954300 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958771 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958860 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960790 JJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960869 JJ Annotated Anodyne in-vitro C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl ZINC000220050656 JJ Annotated Anodyne CCc1nn(CCO)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3onc(C)c3c1)C2=O ZINC000220179364 JJ Annotated Anodyne CCc1nn(CCO)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3onc(C)c3c1)C2=O ZINC000220179440 JJ Annotated Anodyne CCc1c2c(nn1CCO)C(=O)N(c1cc(C)c3onc(C)c3c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220221648 JJ Annotated Anodyne CCc1c2c(nn1CCO)C(=O)N(c1cc(C)c3onc(C)c3c1)[C@H]2c1ccc(Cl)cc1 ZINC000220221710 JJ Annotated Anodyne O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3cccc4ccccc34)ccc1-2 ZINC000220229049 JJ Annotated Anodyne O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3cccc4ccccc34)ccc1-2 ZINC000220229125 JJ Annotated Anodyne Cc1cc(N2C(=O)c3c(c(C4CC4)nn3-c3ccnn3C)[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000220242626 JJ Annotated Anodyne Cc1cc(N2C(=O)c3c(c(C4CC4)nn3-c3ccnn3C)[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000220242691 JJ Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220281410 JJ Annotated Anodyne COc1ncccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1 ZINC000220281466 JJ Annotated Anodyne CNC(=O)[C@H]1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287367 JJ Annotated Anodyne CNC(=O)[C@@H]1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287437 JJ Annotated Anodyne CCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O ZINC000220339489 JJ Annotated Anodyne CCc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O ZINC000220339558 JJ Annotated Anodyne Cn1cc(N2C(=O)c3nn(C4CC4)c(C(F)(F)F)c3[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220420732 JJ Annotated Anodyne Cn1cc(N2C(=O)c3nn(C4CC4)c(C(F)(F)F)c3[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220420789 JJ Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CC4)c(C(F)(F)F)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220421214 JJ Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CC4)c(C(F)(F)F)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220421285 JJ Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@H](NC(=O)Nc4cccc(C#N)c4)C4CC4)c3)sc2C1 ZINC000220426499 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cc(C(F)(F)F)ccc1F ZINC000220440753 JJ Annotated Mild Cn1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220443229 JJ Annotated Anodyne Cn1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220443293 JJ Annotated Anodyne Cc1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220443378 JJ Annotated Anodyne Cc1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220443439 JJ Annotated Anodyne N#C[C@H](Cc1ccc(-n2cc(-c3ccc4[nH]ccc4c3)nn2)cc1F)NC(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000220465802 JJ Annotated Mild Oc1cc(O)cc(/C=C\c2cc([C@@H](Cc3cc(O)cc(O)c3)c3ccc(O)cc3O)c(O)cc2O)c1 ZINC000220509521 JJ Annotated Anodyne CC(=O)OCC1=C[C@]2(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)(C)O)O2)O[C@@H]2C=C(C)C(=O)C[C@H]12 ZINC000220559066 JJ Annotated Mild CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 ZINC000220664064 JJ Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 ZINC000220664125 JJ Annotated Anodyne N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(O)cc2[nH]1 ZINC000220695741 JJ Annotated Clean CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)c2)CC1 ZINC000220872002 JJ Annotated Anodyne CC(C)[C@H](C)c1[nH]c2ccc(-c3ccccc3)cc2c1CC(P(=O)(O)O)P(=O)(O)O ZINC000220951016 JJ Annotated Anodyne in-vitro O=C(c1ccc(F)cc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(C(F)(F)F)cn1)C2 ZINC000221045434 JJ Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1 ZINC000221050252 JJ Annotated Anodyne O=C(c1cccc(F)c1-c1ccncc1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221055490 JJ Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221062728 JJ Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OCC2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000221132564 JJ Annotated Anodyne CN1CCC[C@@H](/N=C/[C@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000221248169 JJ Annotated Mild CN1CCC[C@H](/N=C/[C@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000221248226 JJ Annotated Mild CN1CCC[C@H](/N=C/[C@@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000221248282 JJ Annotated Mild CCN1CC[C@@H](/N=C/[C@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000221248351 JJ Annotated Mild CCN1CC[C@H](/N=C/[C@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000221248422 JJ Annotated Mild CCN1CC[C@H](/N=C/[C@@H](C=N)c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)C1 ZINC000221248478 JJ Annotated Mild Cc1noc(C)c1[C@@H]1C[C@@H](c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S1 ZINC000221390330 JJ Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C\C=C/c1ccc2c(c1)OC(C)(C)[C@H](OC(=O)C=C(C)C)CO2 ZINC000221435210 JJ Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C\C=C\c1ccc2c(c1)OC(C)(C)[C@H](OC(=O)C=C(C)C)CO2 ZINC000221435261 JJ Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C/C=C\c1ccc2c(c1)OC(C)(C)[C@H](OC(=O)C=C(C)C)CO2 ZINC000221435314 JJ Annotated Anodyne c1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)[nH]c2cc1C1=NCCCN1 ZINC000221495029 JJ Annotated Anodyne Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)n1 ZINC000221568113 JJ Annotated Mild Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)n1 ZINC000221568171 JJ Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(OCC)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221605949 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(OCC)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221606008 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(OCC)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000221606044 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221606752 JJ Annotated Anodyne O=C(Nc1ccncn1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221748065 JJ Annotated Anodyne Cc1[nH]c2c(F)cccc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000221753756 JJ Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000221753920 JJ Annotated Anodyne Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000221754105 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cc(-c4ccccc4)c[nH]3)c2)c2cncnc21 ZINC000221754543 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)c2)c2cncnc21 ZINC000221754637 JJ Annotated Anodyne Cc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1 ZINC000221754727 JJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4c(Cl)cccc34)c2)c2cncnc21 ZINC000221754903 JJ Annotated Anodyne Cc1ccc2[nH]c(C)c(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1 ZINC000221755002 JJ Annotated Anodyne COc1ccc2[nH]c(C)c(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1 ZINC000221755090 JJ Annotated Anodyne COC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C5CCNCC5)n4)cc32)c1C ZINC000221768022 JJ Annotated Anodyne CC(C)C(=O)Nc1ccc(-c2cnn3c(NCC4CCOCC4)nc(OC4CCCC4)nc23)cc1 ZINC000221945534 JJ Annotated Anodyne NC(=O)c1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)cc1 ZINC000221947077 JJ Annotated Anodyne Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(NC4CCCC4)nc23)ccc1NC(=O)C1CC1 ZINC000221953679 JJ Annotated Anodyne Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Nc4ccccc4)nc23)ccc1C(=O)NC1CC1 ZINC000221957283 JJ Annotated Anodyne N#Cc1[nH]c2ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc2c1N ZINC000221973529 JJ Annotated Anodyne Cc1cc(C)cc(Cc2[nH]c(SCc3ccc(C#N)cc3)nc(=O)c2I)c1 ZINC000222019714 JJ Annotated Anodyne CC(C)Cn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21 ZINC000222321964 JJ Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccncc3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222435708 JJ Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(C)(=O)=O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222689554 JJ Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCF)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000222757890 JJ Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]21 ZINC000222918103 JJ Annotated Anodyne CN([C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C(C)(C)C1CC1 ZINC000222981019 JJ Annotated Mild CN([C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C(C)(C)C1CC1 ZINC000222981095 JJ Annotated Mild CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2cccc(O)c2)c1 ZINC000223376589 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(N)cc(CCc2ccc(O)cc2)c1 ZINC000223377940 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccccc2O)c1 ZINC000223379088 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CCc2ccc(O)cc2)ccc1N ZINC000223384192 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(COc2ccc(O)cc2)c1 ZINC000223389951 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(Nc2ccc(O)cc2)c1 ZINC000223390904 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(Cc2ccc(O)cc2)c1 ZINC000223390988 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCc2ccccc2)c1 ZINC000223395223 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCc2cccc(O)c2)c1 ZINC000223395307 JJ Annotated Anodyne Cc1sc2c(NC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br ZINC000223660485 JJ Annotated Anodyne Oc1cccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)c1 ZINC000223660703 JJ Annotated Anodyne Cc1c(Br)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223661277 JJ Annotated Anodyne Brc1ccc(-c2csc3nc(-c4ccncc4)nc(N4CCCNCC4)c23)cc1 ZINC000223666895 JJ Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br ZINC000223667055 JJ Annotated Anodyne c1ccc(CCN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1 ZINC000223668243 JJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3cscn3)csc12)Cc1ccccc1 ZINC000223673093 JJ Annotated Mild N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccncc3)csc12)Cc1ccccc1 ZINC000223676139 JJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(Br)csc12)Cc1ccccc1 ZINC000223679956 JJ Annotated Anodyne COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3 ZINC000223688963 JJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cccnc3)csc12)Cc1ccccc1 ZINC000223691795 JJ Annotated Anodyne NCc1coc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4F)nc23)c1 ZINC000223693582 JJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccccn3)csc12)Cc1ccccc1 ZINC000223693891 JJ Annotated Anodyne COC(C)(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223694275 JJ Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3ccccn3)csc12)Cc1ccccc1 ZINC000223694519 JJ Annotated Mild CCC(O)(C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12)CC ZINC000223695027 JJ Annotated Mild CCc1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)n[nH]1 ZINC000223695208 JJ Annotated Anodyne CCc1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)no1 ZINC000223695372 JJ Annotated Anodyne c1cn(Cc2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)cn1 ZINC000223695592 JJ Annotated Anodyne CCCc1sc(-c2ccc(OC)c(OCCF)c2)nc1[C@@H](C)Sc1nc(N)cc(N)n1 ZINC000223775728 JJ Annotated Anodyne in-vitro C[C@H](NC(=O)Nc1ccon1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000223798602 JJ Annotated Anodyne CC1(C)C=C(c2cc3c(cn2)Oc2ccc(-c4cccnc4F)cc2[C@@]32COC(N)=N2)CCO1 ZINC000223847530 JJ Annotated Anodyne CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C(F)(F)F)no2)c(F)c1 ZINC000224310282 JJ Annotated Anodyne CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(C(C)(C)C(F)(F)F)on2)c(F)c1 ZINC000224319975 JJ Annotated Anodyne CS(=O)(=O)c1cccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)c1 ZINC000224577940 JJ Annotated Anodyne Nc1ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000224698406 JJ Annotated Anodyne COc1cccc2nc(-c3ccc(-c4ccccc4S(=O)(=O)NC(C)(C)C)cc3F)cn12 ZINC000224749248 JJ Annotated Anodyne CC(C)(NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1)C(F)(F)F ZINC000224758970 JJ Annotated Anodyne O=S(=O)(c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1)N1CCCCC1 ZINC000224760010 JJ Annotated Anodyne C[Si](C)(C)CCOCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224777361 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](COc2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1 ZINC000224778486 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](COc2ncccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1 ZINC000224778531 JJ Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 ZINC000224781101 JJ Annotated Anodyne C[Si](C)(C)CCOCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224787035 JJ Annotated Anodyne Nc1cc(-c2ccc(-c3ccccc3S(=O)(=O)NC3(CO)CCCC3)cc2F)cc2cc[nH]c12 ZINC000224787646 JJ Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2C(F)(F)F)c(F)c1 ZINC000224791798 JJ Annotated Anodyne CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cncc(I)c1 ZINC000224877160 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000224879005 JJ Annotated Anodyne C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCCCC2)C[C@H]1C ZINC000022924599 JJ Annotated Anodyne C[C@@H]1CN(C2CCCCC2)CCN1[C@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000022924604 JJ Annotated Anodyne Oc1ccc2c(c1)OC=C(CN1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2 ZINC000022925125 JJ Annotated Anodyne FC(F)(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000022930344 JJ Annotated Anodyne CCOC(=O)C[C@H](c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1)N1CCN(C)CC1 ZINC000022936982 JJ Annotated Anodyne CCOC(=O)C[C@@H](c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1)N1CCN(C)CC1 ZINC000022936989 JJ Annotated Anodyne C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N3CCCCC3)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022938784 JJ Annotated Mild COc1cc(C(F)(F)F)ccc1-c1cncc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225038207 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225040922 JJ Annotated Anodyne COc1c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)cccc1C(F)(F)F ZINC000225045635 JJ Annotated Anodyne COc1cc(OCC(C)C)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225056382 JJ Annotated Anodyne COc1nc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225058094 JJ Annotated Anodyne COc1cc(C(F)F)ccc1-c1nc(C)nc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225059946 JJ Annotated Anodyne COc1cc(Cl)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225070977 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225071705 JJ Annotated Anodyne COc1cc(-c2ccc(F)nc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225073905 JJ Annotated Anodyne COc1cc(C(F)F)c(F)cc1-c1nc(C)nc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225076273 JJ Annotated Anodyne COc1cc(-c2ccnc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225079298 JJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000225082008 JJ Annotated Anodyne COc1cc(-c2cccnc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225087108 JJ Annotated Anodyne COc1nccc(NS(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4OC)nccc3c2)n1 ZINC000225089505 JJ Annotated Anodyne COc1cc(-c2cnn(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225099219 JJ Annotated Anodyne COc1cc(-c2cccc(F)c2)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225110416 JJ Annotated Anodyne COc1cc(-c2cncc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225111707 JJ Annotated Anodyne COc1ccc(-c2ccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c(OC)c2)cn1 ZINC000225114158 JJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3cc(F)ccc3OC(F)F)nccc2c1 ZINC000225114533 JJ Annotated Anodyne COc1ncc(C(F)(F)F)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225114947 JJ Annotated Anodyne COc1cc(-c2cccc(F)c2)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225117381 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3O)cccc2c1 ZINC000225118840 JJ Annotated Anodyne COc1cc(-c2cncc(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225120015 JJ Annotated Anodyne COc1cc(-c2cccnc2C)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225121167 JJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(F)cc3OC3CCOCC3)nccc2c1 ZINC000225121757 JJ Annotated Anodyne COc1cc(-c2cccnc2OC)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225123787 JJ Annotated Anodyne COc1cc(-c2ccc(C)nc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225124079 JJ Annotated Anodyne C[C@@H](C#N)Oc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225130584 JJ Annotated Mild C[C@H](C#N)Oc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225130618 JJ Annotated Mild COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)cnc12 ZINC000225132651 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2(C(F)(F)F)CCCCC2)cc1F ZINC000225230226 JJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4C[C@@H](C2)C(F)(F)[C@@H](C4)C3)cc1F ZINC000225250336 JJ Annotated Anodyne N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(=O)NCc3cccnc3)c2)cc1 ZINC000225602922 JJ Annotated Anodyne NC1=N[C@@](c2cc(N[C@H](c3ccc(Cl)cn3)C(F)(F)F)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000225700148 JJ Annotated Anodyne Cn1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(C#N)cc4)c3c2)n1 ZINC000226014986 JJ Annotated Mild CN(C)CCOc1ccc(CNc2cccc(-c3ccnc4[nH]c(C5CCN(C)CC5)cc34)n2)cc1 ZINC000226034000 JJ Annotated Anodyne CS(=O)(=O)N1CC=C(c2cc3c(-c4cccc(NCc5ccccc5Cl)n4)ccnc3[nH]2)CC1 ZINC000226038524 JJ Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cccc(C(F)(F)F)n2)C3)n1 ZINC000226043072 JJ Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(C(F)(F)F)cn1)C2 ZINC000226050293 JJ Annotated Anodyne CC(=O)N1CCC(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCN(C)CC5)cc34)n2)CC1 ZINC000226057815 JJ Annotated Anodyne Cc1cc(NC(=O)c2ccc(Cl)cc2CF)cc([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1F ZINC000226060933 JJ Annotated Anodyne NC1=N[C@@](c2cc(Nc3ncc(F)c4cc(C#CC5CC5)cnc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226081624 JJ Annotated Mild NC1=N[C@@](c2cc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226082540 JJ Annotated Anodyne NC1=N[C@@](c2cc(N[C@@H]3CCc4cc(Br)ccc43)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226085775 JJ Annotated Anodyne O=C(c1ccnc(C(F)(F)F)c1Cl)N1[C@H]2CCC[C@@H]1Cn1c(-c3cccs3)nnc12 ZINC000226094831 JJ Annotated Anodyne NC1=N[C@@](c2cc(N[C@H]3CCCc4cc(Br)cnc43)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226104561 JJ Annotated Anodyne O=C(c1ccc(F)c(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 ZINC000226123720 JJ Annotated Anodyne Cc1cc(C)c(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000023295600 JJ Annotated Anodyne COc1ccc(CN2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c(OC)c1OC ZINC000023338295 JJ Annotated Anodyne COc1ccc(CN2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c(OC)c1OC ZINC000023338297 JJ Annotated Anodyne CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ncnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1 ZINC000023359462 JJ Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 ZINC000230472211 JJ Annotated Anodyne in-vitro Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NC(=O)OC(C)(C)C)[C@H]3c3ccccc3)ccc12 ZINC000230499285 JJ Annotated Anodyne in-vitro CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](C/C=C(/C)[C@H](O)[C@@H]12)C3(C)C ZINC000230540770 JJ Annotated Mild CC(=O)O[C@H]1/C(C)=C\C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C ZINC000230540805 JJ Annotated Mild COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc3ncccc3c1)c1ncc-2[nH]1 ZINC000230572944 JJ Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1ccc3cccnc3c1)c1ncc-2[nH]1 ZINC000230574397 JJ Annotated Anodyne [C-]#[N+]c1cc(-c2ccnc(Nc3cnn(CCOC)c3)c2)ccc1OCC1CCN(C(C)=O)CC1 ZINC000230583085 JJ Annotated Anodyne [C-]#[N+]c1cc(-c2ccnc(Nc3ccc(CO)cn3)c2)ccc1OCC1CCN(C(C)=O)CC1 ZINC000230583138 JJ Annotated Anodyne CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)c2ccccc2CN(C)C)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C ZINC000230583898 JJ Annotated Mild in-vitro COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)ccc43)cc2OC)cc1 ZINC000230588965 JJ Annotated Anodyne C=C(CC[C@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000230817322 JJ Annotated Reactive C=C(CC[C@@H]1OC1(C)C)[C@H](Br)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000230817348 JJ Annotated Reactive Cc1noc(C)c1Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 ZINC000231375061 JJ Annotated Mild in-vitro NCCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231944489 JJ Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231944494 JJ Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000238730726 JJ Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3[C@@H](O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@H](O)CC[C@@H]12 ZINC000238731149 JJ Annotated Anodyne C=C1CC[C@@H]2C(C)(C)C(=O)[C@H](OC(C)=O)C[C@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000238731873 JJ Annotated Mild C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(cc3c(c1O)CN(CCCCC(=O)O)C3=O)O2 ZINC000238732038 JJ Annotated Clean C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238732151 JJ Annotated Anodyne C=C1CC[C@@H]2C(C)(C)C(=O)[C@H](OC(C)=O)C[C@@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000238732839 JJ Annotated Mild COc1c(C)c(O)c(C[C@@]2(C)C(O)=C(C)C(=O)C(C(=O)C(C)C)=C2O)c(O)c1C(=O)CC(C)C ZINC000238733007 JJ Annotated Mild CC1(C)CC[C@@H]2C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1 ZINC000238733259 JJ Annotated Anodyne CC(C)=CCCC1=CC[C@@]2(CC1)[C@H](O)O[C@@H]1[C@H](O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C=C(C)C)[C@H]12 ZINC000238733409 JJ Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000238733944 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238734008 JJ Annotated Mild CCCC(=O)c1c(O)c(CCC(C)C)c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c1O ZINC000238734220 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238734259 JJ Annotated Anodyne COC1=CC(=O)O[C@]2(CCc3ccccc3)[C@H]1[C@H](c1ccccc1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000238734417 JJ Annotated Anodyne CO/C=C(C(=O)OC)/C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@H](OC(=O)C=C(C)C)CO2 ZINC000238734550 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)O[C@@H]1C ZINC000238734959 JJ Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3CC=CC(=O)[C@@]32C)[C@@H]2CC[C@H]([C@@](C)(O)[C@H]3CC(C)=C(C)C(=O)O3)[C@]21C ZINC000238735136 JJ Annotated Mild C=C[C@](C)(CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238735192 JJ Annotated Mild CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C ZINC000238735595 JJ Annotated Mild COC(=O)CC(=O)OCC1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCc1ccoc1 ZINC000238736692 JJ Annotated Anodyne CC(C)(Cl)[C@H](Br)C[C@H](Br)[C@@](C)(Cl)[C@H](O)CBr ZINC000238736827 JJ Annotated Reactive C/C=C(/C)C(=O)OC/C=C(/C)CC/C=C(\C)[C@H](C/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1O)OC(C)=O ZINC000238737015 JJ Annotated Anodyne C=CC1=C[C@@H]2[C@H](C(C)(C)O)[C@]3(C(C)C)C(=O)[C@]4(CC[C@H]5C(C)(C)CCC[C@]56C[C@]24[C@@](O)(O6)C3=O)C1 ZINC000238737137 JJ Annotated Anodyne CC(=O)OCC[C@@]1(C)[C@H](C2=C[C@H](O)[C@@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C/C(C)C ZINC000238737335 JJ Annotated Mild CCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C(=O)OC)C[C@H]1OC(=O)[C@H](C)CC ZINC000238737580 JJ Annotated Mild COc1cc(O)c(Oc2cc(OC)c(-c3c(OC)cc(OC)cc3OC)c(OC)c2)c(OC)c1 ZINC000238738288 JJ Annotated Anodyne CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@@H]1O[C@@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000238738437 JJ Annotated Mild CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c2OC)c(O)c1C ZINC000238738916 JJ Annotated Anodyne C=C1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C\CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000238738979 JJ Annotated Mild C=C1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C/CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000238738991 JJ Annotated Mild COC(=O)[C@@]1(C)C[C@H]2[C@@H](CC(C)=C3C4=CCc5c(cc(OC)c(OC)c5C)[C@]4(C)CC[C@@H]32)C(=O)[C@@H]1O ZINC000238739323 JJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(OC)c4c(c3[C@H]2COC(C)=O)CCc2cc(O)ccc2-4)cc(OC)c1O ZINC000238739450 JJ Annotated Anodyne C=C([C@H](CC=C(C)C)OC(C)=O)[C@@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1OC(=O)/C(C)=C\C ZINC000238739451 JJ Annotated Mild C=C[C@@](C)(O)[C@H](C[C@@H]1C(=C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)[C@@H](Br)CC[C@]12C)OC(C)=O ZINC000238739500 JJ Annotated Reactive CC(=O)O[C@@H]1[C@H](Oc2c(C)cc3c(c2O)[C@@H](C)CC[C@@H]3[C@@H](C)CCC=C(C)C)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000238739513 JJ Annotated Anodyne CC(=O)O[C@H]1[C@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000238739789 JJ Annotated Mild CCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000238740025 JJ Annotated Anodyne Oc1cc(O)cc(Oc2cc3c(c(O)c2O)Oc2cc(O)c(Oc4cc(O)cc(O)c4)c(O)c2O3)c1 ZINC000238740722 JJ Annotated Clean C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](OC(C)=O)[C@H]1O ZINC000238740962 JJ Annotated Mild C[C@](Br)(CCl)[C@@H](Cl)C[C@@H](Br)[C@@](C)(Cl)[C@H](O)CBr ZINC000238741305 JJ Annotated Reactive COC(=O)[C@@]1(C)C[C@H]2[C@]3(C)CC[C@@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C)C(=O)[C@H]1O ZINC000238741485 JJ Annotated Mild C=C1CC/C=C(\C)CC[C@H]2C([C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@H]12 ZINC000238741589 JJ Annotated Mild C=C[C@]1(C)CC[C@@H]2[C@@](C)(O1)C(=O)C[C@@H]1C(C)(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)/C(C)=C\C)[C@@]21C ZINC000238741595 JJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(O)cc3)CC(C)=CC[C@]21C ZINC000238741739 JJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCNC31CCC2(CC1)C[C@H]1c3c(cc(OC)c(O)c32)CCN1C ZINC000238742461 JJ Annotated Anodyne C=C[C@](C)(CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](OC(C)=O)[C@H]1O ZINC000238742546 JJ Annotated Mild CC1=C[C@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238742933 JJ Annotated Anodyne C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@](C)(OC(=O)CCCCCCC)[C@@H]24)[C@@H](C)CO[C@@]3(C)C(=O)C[C@H]1O ZINC000238742999 JJ Annotated Mild CC(=O)O[C@@H](C(=O)C1=C(C)[C@H]2CC[C@H](C)[C@H]2[C@H](c2c(O)c3c(C)cccc3oc2=O)O1)C(C)C ZINC000238743142 JJ Annotated Mild C=C[C@](C)(CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](OC(C)=O)[C@H](O)[C@H]1O ZINC000238743356 JJ Annotated Mild O=c1c2c(O)cccc2oc2ccc(O)c(-c3c(O)ccc4oc5cccc(O)c5c(=O)c34)c12 ZINC000238743451 JJ Annotated Bother COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(CCC(C)C)c(O)c(C(=O)C(C)C)c1O ZINC000238744396 JJ Annotated Anodyne CCCC(=O)OC[C@H](C)[C@H]1CC=C(C)[C@@H]2C(=O)C[C@](C)(O)[C@@H]3CC[C@@](C)(OC(=O)CCC)[C@@H](O3)[C@@H]21 ZINC000238744638 JJ Annotated Anodyne C=C1CC[C@H]([C@@H](C)COC(=O)CCC)[C@H]2[C@@H]3O[C@@H](CC[C@@]3(C)OC(=O)CCC)[C@@](C)(O)CC(=O)[C@@H]12 ZINC000238744650 JJ Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)[C@H](C)CC)[C@@H](OC(=O)[C@H](C)CC)C1 ZINC000238744672 JJ Annotated Mild CC/C=C\C[C@H](OC(C)=O)[C@H](/C=C/[C@@H](CCCCCCCC(=O)OC)OC(C)=O)OC(C)=O ZINC000238744772 JJ Annotated Anodyne CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@@](C)(Cl)C=C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C ZINC000238745098 JJ Annotated Anodyne CC1(C)C=C(O[C@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2O)c2cc3ccc(=O)oc3cc2O1 ZINC000238745323 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)C2=CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(C)C[C@H]3O[C@]34[C@@H](O)C=CC(=O)[C@]24C)C1 ZINC000238745518 JJ Annotated Mild CC1=C[C@H]2c3c(ccc4ccc(=O)oc34)O[C@H]([C@H](O)c3c(O)ccc4ccc(=O)oc34)[C@@]2(C)CC1 ZINC000238745847 JJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(CCN)c[nH]c4c3)C[C@@H]1[C@@H]2C(=O)OC ZINC000238746251 JJ Annotated Anodyne CC(=O)OC1=C(C)[C@@H]2[C@@H]3C/C(C)=C/CC[C@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@@H](C(C)(C)OC(C)=O)C1 ZINC000238746334 JJ Annotated Anodyne CC(=O)OC1=C(C)[C@@H]2[C@@H]3C/C(C)=C\CC[C@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@@H](C(C)(C)OC(C)=O)C1 ZINC000238746345 JJ Annotated Anodyne CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@@]1(C(C)C)OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)[C@@H]21 ZINC000238747237 JJ Annotated Mild COC1=CC(=O)O[C@]2(/C=C/c3ccccc3)[C@@H](c3cc(OC)cc(=O)o3)[C@@H](c3ccccc3)[C@H]12 ZINC000238748105 JJ Annotated Anodyne CCC/C=C\C(=O)O[C@H](/C=C\C(=O)O[C@@H]1CC[C@H]2[C@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C)CC ZINC000238748230 JJ Annotated Mild CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000238748308 JJ Annotated Mild CC[C@@]1(C)C=Cc2c(cc(O)c3c2O[C@H]2c4ccc(O)cc4O[C@H](C(C)(C)O)C[C@@H]2C3=O)O1 ZINC000238748625 JJ Annotated Anodyne COc1cc(O)cc([C@@H]2Oc3cc(OC)c4c(c3[C@H]2COC(C)=O)CCc2cc(O)ccc2-4)c1 ZINC000238748925 JJ Annotated Anodyne CC1(C)C[C@@](O)(C[C@@H]2CC[C@@]34[C@@H](Br)CC[C@@](C)(O[C@@H]3O)[C@@H]24)CC[C@@H]1Br ZINC000238749174 JJ Annotated Reactive COC(=O)CCC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]12C ZINC000238749744 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@]21C ZINC000238750026 JJ Annotated Clean C=C(O[C@@H]1[C@H](OC(C)=O)[C@H](C(=C)[C@H](OC(=O)/C(C)=C\C)O[C@@H]2OC2(C)C)C[C@@H]2O[C@@]21C)/C(C)=C\C ZINC000238750239 JJ Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H](O)CC2=C3[C@](C)(O)[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4 ZINC000238750572 JJ Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3[C@@H](O)CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@H](O)CC[C@@H]12 ZINC000238750971 JJ Annotated Anodyne CC1(C)C[C@@H]2[C@](C)(CC1=O)C(=O)C=C1[C@@]2(C)C[C@@H](O)[C@H]2[C@@]1(C)C[C@H](O)[C@H]1C(C)(C)C(=O)CC[C@@]12C ZINC000238751767 JJ Annotated Mild COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)/C=C/c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000238752135 JJ Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)N(CCc2ccc(O)cc2)C1=O ZINC000238752263 JJ Annotated Anodyne COc1cc([C@@H]2Oc3cc4c(cc3[C@H]2COC(C)=O)-c2c(cc(O)cc2OC)CC4)ccc1O ZINC000238752626 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@@]12C ZINC000238752691 JJ Annotated Clean CC[C@H](Br)[C@H]1C[C@H](Br)[C@H](O)C[C@H]2C[C@H](C=C=CBr)C[C@H]2O1 ZINC000238753141 JJ Annotated Reactive C/C=C(/C)C(=O)OC[C@@H]1[C@@H](OC(=O)/C(C)=C\C)CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC(C)=O)[C@@]21C ZINC000238753436 JJ Annotated Anodyne CC(=O)O[C@@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)/C1=C/C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238753789 JJ Annotated Anodyne CC1=C[C@H]2/C=C/C[C@@H](C)C(=O)[C@H](C)/C=C/OC(=O)O[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@H]1C ZINC000238754014 JJ Annotated Anodyne CCC1=C(C)[C@H](O)[C@H](Cc2c(O)c(C(C)=O)c(O)c3c2O[C@](C)(CCC=C(C)C)CC3)C(=O)O1 ZINC000238755120 JJ Annotated Anodyne CC1=C2C[C@@](C)(CO)C[C@@]23O[C@@H]2O[C@@]4(C)C5=C(CC[C@](C3=O)([C@@H]52)C12CC2)C(=O)C1=CC(C)(C)C[C@H]14 ZINC000238755268 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000238755621 JJ Annotated Mild CC(=O)OCC1=C[C@]2(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)(C)O)O2)O[C@@H]2C=C(C)C(=O)C[C@H]12 ZINC000238755740 JJ Annotated Mild CO[C@@H]1C=C2C=CCC(=O)[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)[C@H]3CC(C)=C(CO)C(=O)O3)[C@H]12 ZINC000238756114 JJ Annotated Anodyne CC(=O)N1C[C@]2(C)CCC[C@@]3(C1=O)[C@H]1C[C@@H]4CC[C@]1(C=C4C[C@@]14C=C[C@@H](O)C[C@@H]1N(C)CC4)CC[C@H]23 ZINC000238757025 JJ Annotated Anodyne C=CC1=C[C@@H]2[C@H]3[C@](C)(O)CO[C@]45O[C@]67CCCC(C)(C)[C@@H]6CC[C@H]([C@@H]1C(=O)[C@]3(C(C)C)C4=O)[C@]25C7 ZINC000238757111 JJ Annotated Anodyne CC1=CC[C@H](C(C)C)[C@H]2/C=C(/C)[C@@]3(O)C=C[C@](C)(O3)[C@@H](OC(=O)/C=C/c3cn(C)cn3)C[C@@H]12 ZINC000238757634 JJ Annotated Anodyne CCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)C(C)C)C=C(C(=O)OC)C[C@H]1OC(=O)C(C)C ZINC000238758104 JJ Annotated Mild CC(=O)OCC[C@@]1(COC(C)=O)CC[C@]2(O1)[C@@H](C)CC[C@H]1[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]12C ZINC000238759056 JJ Annotated Anodyne Oc1cc(O)cc([C@@H]2c3c(O)cc(O)cc3[C@@H]3[C@H]2c2ccc(O)cc2O[C@H]3c2ccc(O)cc2O)c1 ZINC000238759103 JJ Annotated Anodyne C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](OC(C)=O)[C@H](O)[C@H]1O ZINC000238759154 JJ Annotated Mild C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)/C=C/c1ccc(O)cc1 ZINC000238760690 JJ Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc2c(c1)O[C@]1(CO2)O[C@@H](C=C(C)C)OC1(C)C ZINC000238760789 JJ Annotated Anodyne CC1(C)C[C@@](O)(C[C@@H]2CC[C@@]34C(=O)O[C@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@@H]1Br ZINC000238760815 JJ Annotated Reactive C=C(C)[C@H](O)Cc1c2c(c3oc(=O)c(-c4ccc(O)cc4)c(O)c3c1OC)C=CC(C)(C)O2 ZINC000238760872 JJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 ZINC000238761113 JJ Annotated Anodyne C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCC(=O)O[C@H]1CC2)N[C@H]3C ZINC000238761120 JJ Annotated Anodyne O[C@]12CCCCCC[C@@H]3CCN4CCC[C@](O)(CCCCCC[C@H]5CCN(CCC1)[C@H]2O5)[C@H]4O3 ZINC000238761127 JJ Annotated Anodyne CN(C)CCc1ccc(OCC2=C[C@]34CC[C@H]5[C@]67CCC[C@@]5(C)C=N[C@H]6[C@@]3(O)C[C@H]2C[C@@H]74)cc1 ZINC000238761340 JJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238761525 JJ Annotated Anodyne C=C1CC/C(C)=C\CC[C@@H]2C([C@@H](C/C=C(\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000238762262 JJ Annotated Mild CC1=C(O)C(=O)C=C2C1=CC(=O)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000238763202 JJ Annotated Mild C=C([C@H](CC=C(C)C)OC(C)=O)[C@@H]1C[C@@H]2O[C@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1OC(=O)/C(C)=C\C ZINC000238763456 JJ Annotated Mild C=C1CCC[C@]2(C)OC[C@H](C)[C@@H]3C[C@@](O)(C(=O)CCCCCCC)[C@](C)(O)[C@H]4[C@H](C1)O[C@@H]2[C@@H]34 ZINC000238763686 JJ Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC1=C2O[C@H](C(C)(C)O)C[C@]2(C)C(O)=C(C(=O)[C@H](C)CC)C1=O ZINC000238763789 JJ Annotated Mild CC(=O)O[C@@H]1C/C(C)=C\[C@H]2[C@@H](OC(=O)C(C)C)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@@H]2[C@H]1C2(C)C ZINC000238763801 JJ Annotated Mild CC(=O)O[C@@H]1C/C(C)=C/[C@H]2[C@@H](OC(=O)C(C)C)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@@H]2[C@H]1C2(C)C ZINC000238763814 JJ Annotated Mild CC(=O)O[C@@H]1C/C(C)=C\[C@H]2[C@@H](OC(=O)C(C)C)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H]1C2(C)C ZINC000238763826 JJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H](O[C@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)O[C@H](C)[C@H](O)[C@@H]1O ZINC000238764547 JJ Annotated Anodyne CC/C=C/C[C@H](Br)[C@H](C[C@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O)OC(C)=O ZINC000238765049 JJ Annotated Reactive CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@@](C)(Cl)C=C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C ZINC000238765379 JJ Annotated Anodyne C[C@H](CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@@H]2OC(=O)C3=CCC[C@H]1[C@]32C)CC(=O)O ZINC000238765652 JJ Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C\[C@H](CC)OC(=O)/C=C\CCC)[C@@H]2C)[C@H](O)[C@@H]1O ZINC000238766238 JJ Annotated Mild C=C([C@H](C[C@@H]1[C@H](/C=C(\C)C(=O)O)C1(C)C)OC(=O)c1ccccc1)[C@@H](OC(C)=O)C1=C[C@H](C)CC1=O ZINC000238766462 JJ Annotated Mild C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C ZINC000238766653 JJ Annotated Reactive Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000238766701 JJ Annotated Mild C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC(=O)OC ZINC000238766730 JJ Annotated Mild C[C@@H](/C=C1\C(=O)N(C)[C@H](C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000238767058 JJ Annotated Anodyne C=C1[C@H]2C[C@H](OC(=O)CC)[C@@]3(C)CC[C@@H]([C@H](C)[C@@H](OC(C)=O)C[C@@H]4O[C@@]4(C)[C@H](OC(=O)CC)C2)[C@@H]13 ZINC000238767407 JJ Annotated Mild COc1cc([C@@H]2COc3cc4c(cc3[C@H]2OC(C)=O)-c2c(cc(O)cc2OC)CC4)cc(OC)c1O ZINC000238767621 JJ Annotated Anodyne CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000238767871 JJ Annotated Mild COc1ccc2c(c1OC)Oc1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 ZINC000238767951 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCC[N+]13[O-])OC(=O)CCc1ccc(O)c-2c1 ZINC000238768048 JJ Annotated Bother CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCC(C)=O)O2 ZINC000238768352 JJ Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(CCN)c[nH]c4c3)C[C@@H]1[C@H]2C(=O)OC ZINC000238768447 JJ Annotated Anodyne [O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@H]32)[C@H]5O4 ZINC000238768588 JJ Annotated Bother COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c(O)c1C(=O)CC(C)C ZINC000238768630 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000238768677 JJ Annotated Mild C=C(/C=C/C=C(\CO)CCC=C(C)C)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000238768795 JJ Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2O[C@]2(C)[C@H]2Cc3c(C)coc3/C=C(/C)CC(=O)[C@@H](OC(=O)CC(C)C)[C@@]21C ZINC000238768958 JJ Annotated Anodyne C=C[C@](C)(CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC(C)=O ZINC000238769269 JJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](O[C@@H](O)[C@]23CC=C(CCC=C(C)C)CC3)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000238769546 JJ Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3C[C@@H](O)C4=C5[C@](C)(O)[C@]6(C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6 ZINC000238769781 JJ Annotated Anodyne C=C[C@](C)(O)CC[C@H]1C(=C)[C@H](O)C[C@H]2C(C)(C)C[C@H](OC(=O)/C(C)=C\C)C[C@@]21COC(C)=O ZINC000238770062 JJ Annotated Mild COc1c(O)cc2c(c1C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)C[C@H](O)[C@]12C ZINC000238770166 JJ Annotated Anodyne CC1=C2[C@H]3[C@@H]4O[C@]5(CC6=CCC[C@@H](C)[C@]6(C)[C@@H](O)C5=C4C)[C@@]2(C=C2[C@@H](O)CC[C@H](C)[C@]23C)OC1=O ZINC000238770710 JJ Annotated Anodyne CCO[C@H]1c2cc(C(C)C)c(OC(C)=O)c(OC(C)=O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O ZINC000238771111 JJ Annotated Anodyne Oc1ccc([C@H]2[C@@H]3c4cc(O)cc(O)c4[C@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2O)cc1 ZINC000238771207 JJ Annotated Anodyne CC(C)(O)C1=CC2=CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2CC1=O ZINC000238771318 JJ Annotated Reactive C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC=C2CC4=CC[C@H](O)C(C)(C)[C@@H]4CC=C2[C@]1(C)[C@H]3O ZINC000238772201 JJ Annotated Anodyne COC(=O)/C=C1\C(C(C)=O)=CC=C2[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]21C ZINC000238772358 JJ Annotated Mild C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C(=O)[C@H]2[C@H](C)OC(C)=O ZINC000238772391 JJ Annotated Mild C=C[C@](C)(O)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(=O)/C(C)=C\C)C[C@]12COC(C)=O ZINC000238772567 JJ Annotated Mild CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000238772608 JJ Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000238772623 JJ Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000238772642 JJ Annotated Reactive CC(=O)O[C@H]1O[C@@H]2CC(=O)C(C)=C(C)C[C@]23C(C)=C[C@H]2O[C@H]4CC(=O)C=C(C)[C@@H]5CC[C@@]13[C@H]2[C@@]45C ZINC000238772906 JJ Annotated Mild C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@@H]3CC[C@H](CCCCCC(=O)O[C@H]1CC2)N[C@@H]3C ZINC000238773013 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000238773558 JJ Annotated Mild CC1=CC(=O)C2=C(C=C[C@@](C)(CC/C=C(\C)CC/C=C3/CC[C@H](C(C)(C)O)OC3=O)O2)C1=O ZINC000238773761 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2CC(=O)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238774130 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C=C3[C@@H](OCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238774139 JJ Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C(=O)[C@H](OC(=O)C(=C)[C@@H]3CC[C@@]4(C)CCCC(=C)[C@@H]4C3)[C@@](C)(O)[C@@H]12 ZINC000238774334 JJ Annotated Mild CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@@H]1O[C@@]1(C)CCC(=O)C(C)(C)C/C=C(\C)C2=O ZINC000238774592 JJ Annotated Mild C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2[C@@H]([C@H](C)OC(C)=O)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000238774840 JJ Annotated Mild COC1=C[C@@]2(C=CC1=O)C[C@@H](C)[C@H](C)[C@H](OC(=O)c1ccccc1)c1cc3c(c(OC)c12)OCO3 ZINC000238774991 JJ Annotated Mild CC(=O)O[C@@H]1C(=O)C=C(C)[C@H]2CC3=C(C)C(=O)O[C@@H]3/C=C(/C)CC[C@H](OC(=O)c3ccccc3)[C@]12C ZINC000238775173 JJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(C)O[C@H]4[C@@]12C)C3(C)C ZINC000238775289 JJ Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C\[C@H](CC)OC(=O)/C=C\CCC)[C@@H]2C)[C@H](O)C1=O ZINC000238775736 JJ Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H]4[C@@H](O)c2ccc(O)cc2)cc1 ZINC000238775824 JJ Annotated Anodyne CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@]4(Oc5c(c(O)cc6c5C(C)(C)[C@@H](C)O6)C(=O)C4=C[C@@H]31)C2=O ZINC000238775926 JJ Annotated Mild CC1(C)CCc2cc(/C=C3\OC(=O)C(c4ccc(O)c(C[C@H]5OC5(C)C)c4)=C3O)c(O)cc2O1 ZINC000238776158 JJ Annotated Anodyne C=C(C)[C@H](O)Cc1c(-c2ccc(O)cc2O)oc2cc(OC)c(/C=C\C(C)C)c(O)c2c1=O ZINC000238776433 JJ Annotated Mild C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/[C@H](C)CC(C)C)CC[C@@H]2C(=O)O ZINC000238776616 JJ Annotated Reactive C[C@]1(CO)CC[C@]2(C=C3C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C1 ZINC000238777100 JJ Annotated Anodyne CC(C)(Br)[C@H](Cl)C[C@H](Br)[C@@](C)(Cl)[C@H](O)CBr ZINC000238777202 JJ Annotated Reactive C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@@H](C)[C@@H](C)O)[C@@H]([C@H]12)C3(C)C ZINC000238777239 JJ Annotated Mild C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/C=C/[C@H](C)[C@@H](C)CC)CC[C@@H]2C(=O)O ZINC000238777412 JJ Annotated Reactive C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C(C)=C/CC[C@@H](C)CC)CC[C@@H]2C(=O)O ZINC000238777441 JJ Annotated Reactive C=C1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H](C/C(C)=C/CC[C@@]3(C)OC(=O)CCC)[C@@H]12 ZINC000238777575 JJ Annotated Mild CC(=O)CC[C@@]1(C)C(=O)C=CC2=C1CC[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C ZINC000238778006 JJ Annotated Mild C=C[C@H]1C=C(C)[C@H]2[C@@H]3[C@H]1C(=O)C1=C[C@](O)(Cc4ccc(cc4)O[C@H]3[C@H]3[C@H](C)C[C@@H](C)C[C@]32C)NC1=O ZINC000238778046 JJ Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2Cc3c(cc(O)c(-c4ccoc4)c3C)[C@]12C ZINC000238778167 JJ Annotated Anodyne C=C(C(=O)O[C@@H]1C(=O)C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@H]2[C@]1(C)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000238778330 JJ Annotated Mild C=C(O[C@@H]1[C@H](OC(C)=O)[C@H](C(=C)[C@H](OC(=O)/C(C)=C/C)O[C@H]2OC2(C)C)C[C@@H]2O[C@@]21C)/C(C)=C\C ZINC000238779278 JJ Annotated Mild COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)/C=C/c5ccccc5)[C@@H]4CC1)[C@@H]32 ZINC000238779910 JJ Annotated Anodyne C=C(C1=CC(=O)C(C)(C)O1)[C@H]1CC=C([C@H]2CC[C@@H]3[C@]2(C)CC[C@@H]2C(C)(C)C(=O)[C@@H](O)C[C@]23C)[C@@H](O)O1 ZINC000238779977 JJ Annotated Mild COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)/C=C\c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000238780038 JJ Annotated Anodyne CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C1=O ZINC000238780216 JJ Annotated Mild COC(=O)[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]12C(C)(C)C(Br)=C[C@H]1O[C@]12C ZINC000238780385 JJ Annotated Reactive C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000238780775 JJ Annotated Mild COc1ccc2cc1-c1cc(ccc1O)[C@H]1C[C@@H](OC(C)=O)C[C@@H]3CCC[C@@H](CC(=O)CC2)N31 ZINC000238781035 JJ Annotated Anodyne CO[C@@]12CCc3ccc(C)c(C)c3C1=CC[C@@H]1[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]3CC[C@]12C ZINC000238781096 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@](C[C@H](C)c2ccoc2)(C(=O)O)[C@@H]1C ZINC000238781262 JJ Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C\c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000238781440 JJ Annotated Mild CC1(C)OC(=O)C=C[C@]12C[C@H]([C@]1(C)C=CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@@]413)O[C@]2(C)Cl ZINC000238781873 JJ Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c1O[C@]13C[C@@H]4[C@H](C=C1C2=O)[C@@](CC=C(C)C)(OC4(C)C)C3=O ZINC000238782158 JJ Annotated Mild O[C@@]12CCCCCC[C@H]3CCN4CCC[C@@](O)(CCCCCC[C@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000238782159 JJ Annotated Anodyne CC(=O)OC[C@]1(CCc2ccoc2)[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238782278 JJ Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(CCN)c[nH]c4c3)C[C@@H]1[C@@H]2C(=O)OC ZINC000238782374 JJ Annotated Anodyne COC1=CC(=O)O[C@]2(/C=C\c3ccccc3)[C@@H](c3cc(OC)cc(=O)o3)[C@@H](c3ccccc3)[C@H]12 ZINC000238783430 JJ Annotated Anodyne COc1cc([C@@H]2Oc3cc4c(cc3[C@H]2COC(C)=O)-c2c(cc(O)cc2OC)CC4)cc(OC)c1O ZINC000238783739 JJ Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C\[C@H]2[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@@H]2[C@H]1C2(C)C ZINC000238783755 JJ Annotated Mild CC(=O)O[C@@H]1C/C(C)=C/[C@H]2[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@@H]2[C@H]1C2(C)C ZINC000238783757 JJ Annotated Mild CC(=O)O[C@@H]1C/C(C)=C\[C@H]2[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H]1C2(C)C ZINC000238783761 JJ Annotated Mild C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C\C1)CO4)C3=O ZINC000238783919 JJ Annotated Reactive C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C[C@]2(Cl)C(=O)c2c(cc4c(c2O)C/C(=C/C1)CO4)C3=O ZINC000238783922 JJ Annotated Reactive C/C=C(/C)C(=O)C1=C2C3=CN(CCCC(=O)O)C(/C=C\[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000238784014 JJ Annotated Mild C/C=C(/C)C(=O)C1=C2C3=CN(CCCC(=O)O)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000238784018 JJ Annotated Mild C/C=C(\C)C(=O)C1=C2C3=CN(CCCC(=O)O)C(/C=C\[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000238784022 JJ Annotated Mild COc1cc([C@@H]2Oc3c(cc4c(c3C)O[C@@H](c3ccc(O)cc3)CC4)C[C@H]2O)cc(OC)c1O ZINC000238784403 JJ Annotated Anodyne CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@@H]1O[C@@]1(C)CCC(=O)C(C)(C)C/C=C(/C)C2=O ZINC000238784676 JJ Annotated Mild COc1cc2c(c(C)c1-c1ccoc1)C[C@H]1[C@@]2(C)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@@]21C ZINC000238785223 JJ Annotated Mild COC(=O)C[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)/C=C/c5ccccc5)[C@@H]4CC1)[C@H]32 ZINC000238785413 JJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000238785522 JJ Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C\C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000238785523 JJ Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000238785526 JJ Annotated Reactive Oc1ccc(/C=C(/c2cc(O)cc(O)c2)[C@H](c2cc(O)cc(O)c2)[C@H](O)c2ccc(O)cc2)cc1 ZINC000238785738 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C=C3[C@@H](OCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238785789 JJ Annotated Mild COc1cc(-c2c3c4cc(O)c(O)cc4oc(=O)c3n3ccc4cc(O)c(O)cc4c23)ccc1O ZINC000238786360 JJ Annotated Clean CC1(C)OC(=O)C=C[C@]23O[C@H]2C2=C(CC[C@@H]13)[C@]1(C)CC[C@H]([C@@H]3C[C@@H]4C[C@H]3OC(=O)[C@]4(C)O)[C@@]1(C)CC2 ZINC000238786672 JJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C(=CC[C@@H]2c2ccoc2)[C@@]2(C)[C@@H](O)C[C@@H]3C(C)(C)O[C@@H]4CC(=O)C[C@]34[C@H]12 ZINC000238786690 JJ Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)C(C)C)[C@@H](C)[C@H](C)C2 ZINC000238786954 JJ Annotated Anodyne C/C=C\CCCCC(=O)[C@@H](C)C(=O)N1CC[C@H]2[C@@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)c(C(=O)O)c(c43)O[C@H]21 ZINC000238786958 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC)O[C@@H]3O ZINC000238786990 JJ Annotated Mild COc1c(C(=O)/C=C/c2ccc(O)cc2)c(O)c(CC=C(C)C)c2c1[C@H](OC)[C@H](O)C(C)(C)O2 ZINC000238787091 JJ Annotated Mild COC1=CC2=C(O[C@@H]3COc4cc5c(cc4[C@@H]3C2=O)OCO5)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000238787218 JJ Annotated Mild COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2[N+]2([O-])CCCC[C@@H]2C1 ZINC000238788061 JJ Annotated Bother C=C(C)CCC/C(C)=C\[C@@H]1C[C@@](C)(OC(C)=O)C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000238788597 JJ Annotated Mild CC1(C)CC[C@@]2(C=C3C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(CO)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C1 ZINC000238789082 JJ Annotated Anodyne C[C@@H]1CN2CCC[C@@]3(O)CCCCCC[C@H]4CCN5CCC[C@@](O)(CCCCCC[C@@H]1O[C@H]23)[C@@H]5O4 ZINC000238789582 JJ Annotated Anodyne O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N[C@H](c1ccccn1)C(F)(F)F ZINC000243901514 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2noc([C@@H](CC3CC3)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 ZINC000024971415 JJ Annotated Anodyne in-vivo C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000248125291 JJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)CCC[C@H]1C ZINC000248125295 JJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O)OCc1ccccc1 ZINC000002500072 JJ Annotated Anodyne O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccc(Br)cn1 ZINC000002603030 JJ Annotated Anodyne O=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1 ZINC000002647714 JJ Annotated Anodyne FC(F)(F)c1cccc(NC(=S)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC000002649938 JJ Annotated Mild CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21 ZINC000002659457 JJ Annotated Anodyne CCOc1cc2c(=O)[nH]c3c(C(=O)Nc4ccccc4C)sc(=S)n3c2cc1OCC ZINC000002689308 JJ Annotated Anodyne CCCOc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1OCC ZINC000002840315 JJ Annotated Anodyne CCCOc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1OCC ZINC000002840316 JJ Annotated Anodyne O=c1c2sccc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1-c1ccc(F)cc1 ZINC000002908855 JJ Annotated Anodyne Cc1[nH]c2ccc(-c3nnc(SCC(=O)O)n3-c3ccc(Br)cc3)cc2c1C ZINC000002911343 JJ Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3c(C)cc(Br)cc3C)sc2n1 ZINC000002911574 JJ Annotated Anodyne Cc1ccc(NC(=O)c2sc3nc(C)nc(N4CCN(c5ccccn5)CC4)c3c2C)c(C)c1 ZINC000002911803 JJ Annotated Anodyne Cc1nc(N2CCN(c3ccccn3)CC2)c2c(C)c(C(=O)Nc3c(F)cccc3F)sc2n1 ZINC000002911859 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccs4)cc(C(=O)N4CCCC4)c3c2)CC1 ZINC000002911977 JJ Annotated Anodyne Brc1ccc([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002918703 JJ Annotated Anodyne Brc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002918705 JJ Annotated Anodyne Brc1ccc([C@@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002918707 JJ Annotated Anodyne Cc1c(C(=O)Oc2ccc(Br)cc2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002919976 JJ Annotated Anodyne O=c1cc(/C(O)=N/C2CCCCCCC2)c2cc(S(=O)(=O)N3CCCCCC3)ccc2[nH]1 ZINC000002923614 JJ Annotated Mild COc1cc(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)cc(OC)c1OC ZINC000002924232 JJ Annotated Anodyne COc1cc(NC(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)cc(OC)c1OC ZINC000002924234 JJ Annotated Anodyne COc1cc(NC(=O)c2sc3nc(C)nc(N4CCCC[C@H]4C)c3c2C)cc(OC)c1OC ZINC000002924389 JJ Annotated Anodyne COc1cc(NC(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)cc(OC)c1OC ZINC000002924392 JJ Annotated Anodyne O=c1c2sccc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1C1CCCCC1 ZINC000002925134 JJ Annotated Anodyne O=C(Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000002929160 JJ Annotated Anodyne O=C(Nc1nc2cc(Cl)ccc2s1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000002929162 JJ Annotated Anodyne Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934327 JJ Annotated Clean Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934331 JJ Annotated Clean Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934332 JJ Annotated Clean Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934335 JJ Annotated Clean COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Br)ccc2O)N1 ZINC000002934399 JJ Annotated Clean COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Br)ccc2O)N1 ZINC000002934401 JJ Annotated Clean COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Br)ccc2O)N1 ZINC000002934403 JJ Annotated Clean COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Br)ccc2O)N1 ZINC000002934406 JJ Annotated Clean Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Br)c2)N1 ZINC000002934957 JJ Annotated Clean Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Br)c2)N1 ZINC000002934958 JJ Annotated Clean Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Br)c2)N1 ZINC000002934961 JJ Annotated Clean Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Br)c2)N1 ZINC000002934963 JJ Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1 ZINC000002935188 JJ Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(F)c2)N1 ZINC000002935189 JJ Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1 ZINC000002935192 JJ Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(F)c2)N1 ZINC000002935194 JJ Annotated Clean COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 ZINC000002936769 JJ Annotated Clean COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 ZINC000002936770 JJ Annotated Clean COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 ZINC000002936771 JJ Annotated Clean COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 ZINC000002936772 JJ Annotated Clean Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002936921 JJ Annotated Clean Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002936923 JJ Annotated Clean Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002936925 JJ Annotated Clean Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002936927 JJ Annotated Clean C[C@H]1C[C@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N23)C1 ZINC000002964345 JJ Annotated Anodyne Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)cc1F ZINC000002969687 JJ Annotated Anodyne CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O ZINC000002988306 JJ Annotated Clean CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O ZINC000002988308 JJ Annotated Clean COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C\c2c(C)[nH]c3ccccc23)cc1 ZINC000025195094 JJ Annotated Mild C[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)c1ccco1 ZINC000251181737 JJ Annotated Anodyne C[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)c1ccco1 ZINC000251181742 JJ Annotated Anodyne Cc1cc(C)c2nc(O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@H]3CCCO3)cc2c1 ZINC000253616875 JJ Annotated Anodyne Cc1cc(C)c2nc(O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@H]3CCCO3)cc2c1 ZINC000253616876 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@]2(C)C(=O)CCC[C@@H]21)OC(C)=O ZINC000253632809 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@@]2(C)C(=O)CCC[C@@H]21)OC(C)=O ZINC000253632811 JJ Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1N1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000253634895 JJ Annotated Anodyne C[C@@H]1[C@@H](N2Cc3c(n(CC(=O)c4ccccc4)c4cc(-c5ccccc5)nn4c3=O)C2=O)CCC[C@H]1C ZINC000253634897 JJ Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000253634942 JJ Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@@H]1C(=O)COC(=O)C(C)(C)C ZINC000253637395 JJ Annotated Reactive C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C ZINC000253637398 JJ Annotated Reactive C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C ZINC000253637400 JJ Annotated Reactive CC[C@H](C1=C(O)O[C@H]2CCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253644121 JJ Annotated Mild CC[C@H](C1=C(O)O[C@@H]2CCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253644122 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3CC[C@@]12C ZINC000253654708 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3CC[C@]12C ZINC000253654710 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@@]12C ZINC000253654713 JJ Annotated Mild C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000253660136 JJ Annotated Anodyne CC(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)OC[C@H]1C ZINC000253673387 JJ Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]21 ZINC000253673446 JJ Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000253673455 JJ Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]21 ZINC000253673463 JJ Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]12 ZINC000253673469 JJ Annotated Mild COC(=O)C(C[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000253676183 JJ Annotated Anodyne COC(=O)C(C[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000253676187 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@H]1c1ccc(OC)cc1 ZINC000253679397 JJ Annotated Anodyne CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@H]1Nc1ccc(Br)cc1Br ZINC000253679475 JJ Annotated Clean CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@H]1Nc1ccc(Br)cc1Br ZINC000253679482 JJ Annotated Clean CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000253681734 JJ Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000253681743 JJ Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000253681750 JJ Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000253681757 JJ Annotated Anodyne C[C@H](N[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)[C@H](O)c1ccc(O)cc1 ZINC000253684721 JJ Annotated Anodyne C[N@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000253684809 JJ Annotated Bother C[N@@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000253684813 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@]12CC[C@@H](Cc3ccccc3C1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000253689629 JJ Annotated Anodyne N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1CO2 ZINC000253690073 JJ Annotated Mild COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(CP(C)(C)=O)c(=O)n1CC2 ZINC000253690341 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@@H]1C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]12 ZINC000253697313 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000253698818 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCC[C@@]3(CO3)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000253698828 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCC[C@]3(CO3)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000253698837 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]21CO1)OC(C)=O ZINC000253698848 JJ Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCCN[C@@H]6CC[C@@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000253706670 JJ Annotated Bother CC(C)[C@H](I)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F ZINC000253710297 JJ Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)Cn2cnc3ccccc32)[C@H]1c1ccccc1 ZINC000253777029 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)Cn2cnc3ccccc32)[C@H]1c1ccccc1 ZINC000253777035 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2nnc3ccccc32)[C@H]1c1ccccc1 ZINC000253780803 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)n2nnc3ccccc32)[C@H]1c1ccccc1 ZINC000253780813 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)n2nnc3ccccc32)[C@@H]1c1ccccc1 ZINC000253780821 JJ Annotated Anodyne CCCN(c1cc(/C=C\[C@H]2C[C@H]2C)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O ZINC000253802995 JJ Annotated Anodyne C=CC[C@@H]1C=C[C@H](Oc2ccc(OC)cc2)[C@H](COC(=O)c2ccc(Br)cc2)O1 ZINC000253915997 JJ Annotated Mild CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 ZINC000253916512 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 ZINC000253916515 JJ Annotated Anodyne CCCc1cc2c(n1Cc1ccco1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000253918590 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920554 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)CN(C)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920561 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000253920718 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccccc12 ZINC000253920720 JJ Annotated Anodyne COc1ccc(Cc2nnc(N=Nc3c(O)[nH]c4ccc(Br)cc34)nc2O)cc1 ZINC000253928651 JJ Annotated Clean COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1O ZINC000253947039 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(C)cc2)N[C@H]1c1ccc(C)cc1 ZINC000253952848 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000253952851 JJ Annotated Anodyne COc1ccc(OC[C@@H]2CN3[C@H](CC[C@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000253961075 JJ Annotated Anodyne COc1ccc(OC[C@@H]2CN3[C@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000253961078 JJ Annotated Anodyne C=CCn1c(O)c(N=NC(S)=Nc2ccccc2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000253961401 JJ Annotated Mild Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 ZINC000253966966 JJ Annotated Reactive COc1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccc(Br)cc3)O[C@H]2CO)c(C(C)(C)C)c1 ZINC000253977388 JJ Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](C#Cc3ccc(Br)cc3)O[C@H]2CO)c(C(C)(C)C)c1 ZINC000253977392 JJ Annotated Mild CN1[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000253986498 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000253986499 JJ Annotated Anodyne Cc1ccc(NC(=O)Cn2c(O)c(N=NC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 ZINC000253989091 JJ Annotated Clean COc1ccc2[nH]c(O)c(N=NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 ZINC000254003045 JJ Annotated Clean C[C@@H]1C[C@@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000254010154 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254014907 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254014914 JJ Annotated Anodyne NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000254017875 JJ Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000254017887 JJ Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000254017899 JJ Annotated Bother COc1cccc([C@@H]2NC(=O)C[C@@H]3C[C@H](C)[C@H](c4cccc(OC)c4)N3C(=O)C=CC[C@H]2C)c1 ZINC000254017962 JJ Annotated Anodyne COc1cccc([C@@H]2[C@@H](C)C[C@H]3CC(=O)N[C@@H](c4cccc(OC)c4)[C@@H](C)CC=CC(=O)N32)c1 ZINC000254017966 JJ Annotated Anodyne COc1cccc([C@@H]2[C@@H](C)C[C@H]3CC(=O)N[C@@H](c4cccc(OC)c4)[C@H](C)CC=CC(=O)N32)c1 ZINC000254017970 JJ Annotated Anodyne COc1cccc([C@@H]2NC(=O)C[C@@H]3C[C@H](C)[C@H](c4cccc(OC)c4)N3C(=O)C=CC[C@@H]2C)c1 ZINC000254017973 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000254035986 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(C)cc1 ZINC000254044326 JJ Annotated Anodyne CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@H](c3ccccc3)CC=CCC[C@@H](O)CC(O)=C2C1=O ZINC000254046648 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@@H](c3ccccc3)CC=CCC[C@H](O)CC(O)=C2C1=O ZINC000254046649 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@H](c3ccccc3)CC=CCC[C@H](O)CC(O)=C2C1=O ZINC000254047059 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@@H](c3ccccc3)CC=CCC[C@@H](O)CC(O)=C2C1=O ZINC000254047061 JJ Annotated Mild O=C(c1cccs1)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(Cl)cc1 ZINC000254047114 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccc(C)cc1 ZINC000254048458 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(OC)cc1 ZINC000254071268 JJ Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)C2CCNCC2)CC1 ZINC000254075433 JJ Annotated Reactive C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)C2CCN(C)CC2)CC1 ZINC000254077838 JJ Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N ZINC000254091669 JJ Annotated Reactive C=C(C(=O)O[C@H]1C(=O)C2=C(C)CC[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]2[C@]1(C)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000254091769 JJ Annotated Mild COC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254093112 JJ Annotated Anodyne CCNC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254093115 JJ Annotated Anodyne CCOC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254093801 JJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@H]([C@@H]3CCCC3=O)[C@H]2C(C)=O)C1 ZINC000254095524 JJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@@H]([C@H]3CCCC3=O)[C@H]2C(C)=O)C1 ZINC000254095527 JJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@H]([C@H]3CCCC3=O)[C@H]2C(C)=O)C1 ZINC000254095531 JJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@@H]([C@@H]3CCCC3=O)[C@H]2C(C)=O)C1 ZINC000254095534 JJ Annotated Anodyne CC(C)[C@H](OCc1ccccc1)[C@@H](C)C=NO[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000254101029 JJ Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)C=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000254101034 JJ Annotated Mild CC(C)[C@@H](OCc1ccccc1)[C@@H](C)C=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000254101038 JJ Annotated Mild CC(C)[C@@H](OCc1ccccc1)[C@@H](C)C=NO[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000254101042 JJ Annotated Mild CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@H]1c1ccccc1 ZINC000254128370 JJ Annotated Anodyne CN1CCN(CCN2CC[C@]3(N4CCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000254133140 JJ Annotated Anodyne CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C ZINC000254133194 JJ Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Br)[C@H]1c1ccccc1 ZINC000254134191 JJ Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Br)[C@H]1c1ccccc1 ZINC000254134193 JJ Annotated Reactive CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Br)[C@@H]1c1ccccc1 ZINC000254134196 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 ZINC000254134448 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000254134454 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@@H](C)C[C@H](C)C1 ZINC000254134458 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 ZINC000254134462 JJ Annotated Reactive N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccc(Cl)cc3)nc(Br)c3cccnc23)CC1 ZINC000254134843 JJ Annotated Anodyne CN1CCN(CCCN2CC[C@]3(N4CCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000254136447 JJ Annotated Anodyne C[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000254144440 JJ Annotated Reactive C[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000254144445 JJ Annotated Reactive CC(C)(C)OC(=O)N1N=N[C@H]2[C@@H]3O[C@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000254194399 JJ Annotated Anodyne CC(C)(C)OC(=O)N1N=N[C@H]2[C@H]1[C@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@H]2O1 ZINC000254194400 JJ Annotated Anodyne CC(C)(C)OC(=O)N1N=N[C@@H]2[C@@H]3O[C@H](CC3(OCc3ccccc3)OCc3ccccc3)[C@@H]21 ZINC000254194401 JJ Annotated Anodyne CC(C)(C)OC(=O)N1N=N[C@@H]2[C@H]1[C@H]1CC(OCc3ccccc3)(OCc3ccccc3)[C@H]2O1 ZINC000254194402 JJ Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000254384903 JJ Annotated Reactive aggregator COc1ccc(N=C2Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)c(OC)c1 ZINC000254445055 JJ Annotated Mild COc1ccc(C(C)=NOC(=O)c2c(-c3ccccc3Cl)noc2C)cc1CN1CCOCC1 ZINC000254488911 JJ Annotated Mild O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254490245 JJ Annotated Reactive CC(=O)NS(=O)(=O)c1ccc(N=c2ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 ZINC000254495209 JJ Annotated Anodyne COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1CC=NOCc1ccc(Cl)cc1Cl ZINC000254507771 JJ Annotated Mild aggregator COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(C)[nH]c3ccccc23)cc1 ZINC000254617733 JJ Annotated Mild aggregator Cc1ccc(CSc2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000254669065 JJ Annotated Reactive aggregator O=C(C(=NNc1ccc(Br)cc1)Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000254698353 JJ Annotated Mild aggregator CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000254835226 JJ Annotated Mild CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000254835227 JJ Annotated Mild CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000254835228 JJ Annotated Mild CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000254835229 JJ Annotated Mild CCN(CC)c1ccc(/C=C\C(=O)NCCN2CCC(N(C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000254870726 JJ Annotated Clean O=C(O)c1cc(-c2ccc(/C=N/Nc3nc4nonc4nc3Nc3ccccc3F)o2)ccc1Cl ZINC000025809402 JJ Annotated Mild O=S(=O)(c1cccs1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025981456 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025981464 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025982899 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025982909 JJ Annotated Anodyne O=S(=O)(Cc1ccccc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025984166 JJ Annotated Anodyne O=S(=O)(Cc1ccccc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025984172 JJ Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025984514 JJ Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025984522 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(C)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000255195983 JJ Annotated Mild C[C@@]1(CO)C=CC2=CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000255196907 JJ Annotated Mild C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57C[C@@H](O)[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O ZINC000255197277 JJ Annotated Anodyne CC1=C2C3=C(CC[C@]2(C)[C@@H]([C@H](C)O)C1)[C@@]1(C)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000255199883 JJ Annotated Anodyne C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(CO)C(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000255200882 JJ Annotated Anodyne C/C=C/[C@@H]1O[C@H]([C@@H](O)/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@@H]2CC=CC(=O)O2)C[C@@H](O)[C@@H]1C ZINC000255201587 JJ Annotated Anodyne C/C=C/[C@H]1O[C@@H]([C@@H](O)/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@@H]2CC=CC(=O)O2)C[C@@H](O)[C@@H]1C ZINC000255201588 JJ Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000255201911 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000255202767 JJ Annotated Anodyne C=C(C)[C@@H](O)C[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35C[C@@H](O)[C@]12C ZINC000255205049 JJ Annotated Mild CC1(C)C=C[C@@H](O)[C@@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255206137 JJ Annotated Anodyne CC(C)[C@H]1C[C@H]2OC[C@@]13CC[C@]1(C)[C@@H]4C(=CC[C@@]1(C)[C@H]23)[C@]12CO[C@H](C1)[C@@H](O)C(C)(C)[C@@H]2C[C@H]4O ZINC000255207230 JJ Annotated Anodyne C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC(=O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255208005 JJ Annotated Mild CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000255208234 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)CC[C@@]67C[C@@]57[C@@H](O)C[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O ZINC000255209039 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C\C/C=C\[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000255209533 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C\C/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000255209534 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/C/C=C\[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000255209535 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/C/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000255209536 JJ Annotated Anodyne O[C@H]1C=CCC=CCC=CCCC2=C[C@@H]3CN4CCCCC=CCC[C@]5(CN(C1)C[C@@H](O)[C@H]35)[C@@H]24 ZINC000255209717 JJ Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2C(=O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255211758 JJ Annotated Anodyne C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255213939 JJ Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255213942 JJ Annotated Mild CC(C)(O)[C@@H]1CC[C@](C)([C@H]2C(=O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255214000 JJ Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000255215371 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000255216784 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000255216789 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000255218078 JJ Annotated Anodyne C[C@H](C[C@@H](O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000255218079 JJ Annotated Anodyne CC(C)(O)[C@@H]1OC[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)C[C@H]1O ZINC000255218626 JJ Annotated Anodyne CC(=O)OC[C@@]1(C)[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13 ZINC000255219435 JJ Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255219690 JJ Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255219691 JJ Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255219692 JJ Annotated Anodyne CC(C)(O)[C@H](O)[C@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255219693 JJ Annotated Anodyne CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@H](O)O1 ZINC000255219694 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000255219873 JJ Annotated Mild C[C@@H]1C[C@H]2O[C@@]3(O[C@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000255220952 JJ Annotated Anodyne CO[C@H]1O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@]2(C)O[C@]12C ZINC000255221298 JJ Annotated Mild CO[C@@H]1O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@]2(C)O[C@]12C ZINC000255221299 JJ Annotated Mild C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC(=O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255221306 JJ Annotated Mild CC(C)[C@@H]1C[C@@H](O)[C@@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000255221816 JJ Annotated Anodyne CCCC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H](C(=O)OC)[C@H]3[C@H]4C[C@]5(C)CN4[C@@H](O5)[C@]132 ZINC000255221968 JJ Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C(=O)O ZINC000255222030 JJ Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C(=O)O ZINC000255222031 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25C=CC(=O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O ZINC000255222083 JJ Annotated Mild CCC(=O)[C@H]1O[C@@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC4)[C@H](C)[C@@H]1O ZINC000255222087 JJ Annotated Anodyne CCC(=O)[C@H]1O[C@@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)[C@H](C)[C@H]1O ZINC000255222088 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O1 ZINC000255222957 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]5(C)C4=CC[C@@]23C)O1 ZINC000255222958 JJ Annotated Anodyne CC1=CC[C@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)O[C@@H]1C ZINC000255224184 JJ Annotated Anodyne CC1=CC[C@H](/C(C)=C\[C@H](C)/C=C\[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)O[C@@H]1C ZINC000255224185 JJ Annotated Anodyne CC1=CC[C@H](/C(C)=C\[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)O[C@@H]1C ZINC000255224186 JJ Annotated Anodyne CC1=CC[C@H](/C(C)=C/[C@H](C)/C=C\[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)O[C@@H]1C ZINC000255224187 JJ Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)[C@H](C[C@H]3C(=O)O[C@H]4C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@@H]43)CC/C(C)=C/[C@H](O)[C@H]12 ZINC000255225515 JJ Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](C[C@H]3C(=O)O[C@H]4C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]43)CC/C(C)=C/[C@@H](O)[C@H]12 ZINC000255225516 JJ Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000255225746 JJ Annotated Anodyne CC1(C)CC[C@]23C(=O)O[C@@]4([C@H]5O[C@H]5[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000255225783 JJ Annotated Anodyne C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255230196 JJ Annotated Anodyne CC1(C)O[C@@H]2O[C@H]1CC[C@@H]2[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]1CC3 ZINC000255231187 JJ Annotated Anodyne CC(C)(O)[C@H]1O[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]23C)C[C@@H]1O ZINC000255231317 JJ Annotated Anodyne CC(C)(O)[C@H]1O[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)C[C@@H]1O ZINC000255231322 JJ Annotated Anodyne CC(C)[C@@H](C)CC[C@H]1CO[C@@H](O)C[C@]2(C)[C@H]1CC[C@@H]2[C@@H]1C[C@H](O)[C@H]2C[C@@H](O)CC[C@]2(C)C1=O ZINC000255231894 JJ Annotated Anodyne CC(C)[C@@H](C)CC[C@H]1CO[C@@H](O)C[C@@]2(C)[C@@H]([C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=O)CC[C@H]12 ZINC000255231896 JJ Annotated Anodyne CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H](O)[C@]24C)[C@@H](O)O1 ZINC000255233561 JJ Annotated Anodyne CCC(=O)[C@H]1O[C@@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)[C@H](C)[C@H]1O ZINC000255235270 JJ Annotated Anodyne CN1CC[C@@]2(CC3=C[C@@]45CC[C@@H]6[C@@]7(C)CCC[C@@]68[C@@H]4C[C@@H]3C[C@@H]5[C@]83OCCN3C7)C=CC(=O)C[C@@H]12 ZINC000255235600 JJ Annotated Mild CN1CC[C@@]2(CC3=C[C@@]45CC[C@@H]6[C@@]7(C)CCC[C@@]68[C@@H]4C[C@@H]3C[C@@H]5[C@@]83OCCN3C7)C=CC(=O)C[C@@H]12 ZINC000255235603 JJ Annotated Mild CN1CC[C@]2(CC3=C[C@@]45CC[C@@H]6[C@@]7(C)CCC[C@@]68[C@@H]4C[C@@H]3C[C@@H]5[C@@]83OCCN3C7)C=CC(=O)C[C@H]12 ZINC000255235606 JJ Annotated Mild CC(C)=C[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC(=O)[C@@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255237393 JJ Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC(=O)[C@@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255237394 JJ Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC(=O)[C@]23C)O1 ZINC000255240318 JJ Annotated Anodyne CC(C)=C[C@@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C[C@H](O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255242352 JJ Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C[C@H](O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000255242353 JJ Annotated Anodyne CC(=O)[C@]1(C)CC[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255243725 JJ Annotated Anodyne CC[C@H](C[C@H]1O[C@@H]2OC(=O)[C@H]1[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]321)C(C)C ZINC000255249360 JJ Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)/C(C#N)=C\C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 ZINC000255253649 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)/C(C#N)=C/C=C/C[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 ZINC000255253650 JJ Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)C(C#N)=CC=CC[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 ZINC000255253651 JJ Annotated Reactive C[C@H](C[C@@H](O)C(=O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CCC(=O)C5(C)C ZINC000255255523 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000255256584 JJ Annotated Anodyne CC(C)[C@@]1([C@H]2OC(=O)[C@@H]([C@H]3CC[C@H]4C5=CC[C@H]6C[C@@H](O)CC[C@]6(C)C5=CC[C@@]43C)[C@H]2O)O[C@H]1C ZINC000255256894 JJ Annotated Anodyne CC/C=C/[C@@H]1C/C=C/C=C\[C@@H](O)[C@H](O)[C@H](O)[C@H](C)/C=C/C[C@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000255257284 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@@H](C)/C=C/[C@@H]2[C@@H](C)[C@H]2/C=C/[C@H]2O[C@@H](CC(=O)OC)C[C@@H](O)[C@@H]2O)CC=C1C ZINC000255258517 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)C(CO)(CO)[C@H]2CC4)O1 ZINC000255258796 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000255258877 JJ Annotated Anodyne C[C@@H]1C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@]6(O)OC(=O)[C@@]5(CC[C@@H]4[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O)[C@H]6C ZINC000255260651 JJ Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@]4(O)C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000255261457 JJ Annotated Anodyne COC[C@H]1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261496 JJ Annotated Mild COC[C@@H]1C(=O)O[C@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255261497 JJ Annotated Mild COC[C@H]1C(=O)O[C@H]2C[C@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261498 JJ Annotated Mild COC[C@H]1C(=O)O[C@H]2C[C@]1(C)OC[C@H]2[C@@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255261499 JJ Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1)C1=CC=C(C2=CC(=O)O[C@H]2OC(C)=O)[C@@]1(C)CC3 ZINC000255261671 JJ Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000255261822 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255261846 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255261847 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255261848 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255261849 JJ Annotated Anodyne C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000255262338 JJ Annotated Mild C/C(C[C@@H]1OC(C)(C)[C@H]2CC[C@](C)(O)[C@@H]12)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000255262730 JJ Annotated Mild C/C(C[C@@H]1OC(C)(C)[C@H]2CC[C@@](C)(O)[C@@H]12)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000255262731 JJ Annotated Mild CC(C)[C@H]1[C@@H](C)[C@H]1C[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255263365 JJ Annotated Anodyne CC(C)/C(=C\CO)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255264435 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255264611 JJ Annotated Anodyne CC(C)[C@]1(O)[C@H]2O[C@H](O)[C@@H]([C@H]3CC=C4C5=C(CC[C@@]43C)[C@@]3(C)CCC(=O)C[C@@H]3CC5)[C@H]2O[C@@H]1C ZINC000255265565 JJ Annotated Anodyne CC(C)(O)[C@@H]1[C@@H]2C[C@]3(C(=O)O2)[C@@H](O)C[C@]2(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]42C)[C@@H]13 ZINC000255269617 JJ Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@H]2C(=O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12 ZINC000255269668 JJ Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2C(=O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255269669 JJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)O ZINC000255271421 JJ Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O ZINC000255271422 JJ Annotated Mild C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]13)O[C@@H]2C(C)(C)O ZINC000255271516 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@H]5[C@@H](O)C[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@H]2C(C)(C)O ZINC000255271517 JJ Annotated Anodyne C[C@H](CC(=O)[C@@H]1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C ZINC000255271618 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2C(=O)C[C@]3(CO)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272044 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2C(=O)C[C@]3(CO)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272045 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@H]2C(=O)C[C@]3(CO)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272046 JJ Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2C(=O)C[C@]3(CO)[C@@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272047 JJ Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2C(=O)C[C@]3(CO)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272048 JJ Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2C(=O)C[C@]3(CO)[C@H]2CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255272049 JJ Annotated Anodyne CC(=O)[C@](O)(C(C)C)[C@@H]1C=C([C@H]2CC=C3C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)C[C@@H]2CC4)C(=O)O1 ZINC000255272316 JJ Annotated Anodyne CC(C)(O)[C@H]1O[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C[C@@H]1O ZINC000255272531 JJ Annotated Anodyne C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(C)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255272572 JJ Annotated Mild C/C(=C\[C@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C=O)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255272796 JJ Annotated Mild CC(C)(O)[C@H](O)[C@H](O)C[C@H](CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255272825 JJ Annotated Anodyne CC(C)(O)[C@@H](O)[C@H](O)C[C@H](CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255272826 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O ZINC000255272882 JJ Annotated Anodyne CC1(C)O[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)CC[C@H]1O ZINC000255272901 JJ Annotated Anodyne C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)[C@@H](O)[C@H](O)[C@H](O)C(C)(C)O ZINC000255273138 JJ Annotated Anodyne CC(C)[C@@H](C)[C@@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45O[C@H]4C=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255273515 JJ Annotated Mild CC1=C[C@](C)(O)[C@H](C)O[C@@H]1/C(C)=C/C=C/C=C/C=C/C=C/[C@]1(C)[C@H](C)C(=O)O[C@@H]1[C@H](C)C(=O)O ZINC000255277491 JJ Annotated Anodyne C[C@H]1C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000255280104 JJ Annotated Anodyne C=C(C)[C@@H]1C[C@H](O)[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4C5=CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255280379 JJ Annotated Mild CC(C)(O)/C=C/C[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255280729 JJ Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255280731 JJ Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@]1(O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255280734 JJ Annotated Anodyne C/C(=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)[C@@H](C)C(C)C ZINC000255281970 JJ Annotated Anodyne C/C(=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)[C@H](C)C(C)C ZINC000255281971 JJ Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)[C@@H](C)C(C)C ZINC000255281972 JJ Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)[C@H](C)C(C)C ZINC000255281973 JJ Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@H]2/C=C/[C@@H]2O[C@H](CC(=O)O)C[C@H](NC)[C@H]2O)CC=C1C ZINC000255284067 JJ Annotated Anodyne [O-][N@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 ZINC000255284432 JJ Annotated Bother C[C@@H]1[C@H]2OC(C)(C)[C@@H](O)[C@@]2(O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000255284672 JJ Annotated Anodyne CC[C@H](C=O)[C@@H]1C(=O)C=C2[C@@]1(C)CC[C@H]1[C@@]2(C)[C@H](OC(C)=O)[C@H](OC)[C@H]2C(C)(C)C(=O)C=C[C@@]21C ZINC000255284826 JJ Annotated Mild C/C(=C\C[C@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000255286852 JJ Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O ZINC000255286860 JJ Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O ZINC000255286861 JJ Annotated Mild C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CCC(=O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O ZINC000255286921 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@H]1[C@@]1(C)CC[C@@]24C[C@@]25CCC(=O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O ZINC000255286922 JJ Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255287338 JJ Annotated Anodyne CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)C(=O)C[C@@H](O)C(C)(C)[C@@H]2CC4=O)OC1=O ZINC000255287345 JJ Annotated Mild CC[C@@H](OC)C(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](CO)[C@H]1CC3 ZINC000255287389 JJ Annotated Mild CC(=O)OCC1=C(C)C[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O ZINC000255287622 JJ Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 ZINC000255287709 JJ Annotated Anodyne CCN(C(=O)c1cccc(-n2nc(C)cc2C)c1)[C@@H]1CCOC2(CCN(c3ccccn3)CC2)C1 ZINC000257342195 JJ Annotated Anodyne CCN(C(=O)c1cccc(-n2nc(C)cc2C)c1)[C@H]1CCOC2(CCN(c3ccccn3)CC2)C1 ZINC000257342196 JJ Annotated Anodyne CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@]12C ZINC000257371391 JJ Annotated Anodyne in-man endogenous COC(=O)[C@]1(C)C[C@@H]2[C@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@]2(C)[C@H](O)[C@H]1O ZINC000257379023 JJ Annotated Mild COC(=O)[C@]1(C)C[C@@H]2[C@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@]2(C)[C@@H](O)[C@@H]1O ZINC000257379024 JJ Annotated Mild COC(=O)[C@]1(C)C[C@@H]2[C@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@]2(C)[C@@H](O)[C@H]1O ZINC000257379025 JJ Annotated Mild COC(=O)[C@]1(C)C[C@@H]2[C@]3(C)CC[C@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@]2(C)[C@H](O)[C@@H]1O ZINC000257379026 JJ Annotated Mild CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@H](O)[C@]5(C)CO)C4=CC[C@@]23C)O1 ZINC000257382698 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@H](O)[C@]5(C)CO)C4=CC[C@]23C)O1 ZINC000257382699 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@H](O)[C@@]5(C)CO)C4=CC[C@@]23C)O1 ZINC000257382700 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@H](O)[C@@]5(C)CO)C4=CC[C@]23C)O1 ZINC000257382701 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)C=CC(=O)[C@](C)(CO)[C@H]2CC4)O1 ZINC000257389226 JJ Annotated Mild CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)C=CC(=O)[C@@](C)(CO)[C@@H]2CC4)O1 ZINC000257389227 JJ Annotated Mild CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)C=CC(=O)[C@@](C)(CO)[C@H]2CC4)O1 ZINC000257389228 JJ Annotated Mild CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)C=CC(=O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000257389229 JJ Annotated Mild CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)C(CO)(CO)[C@H]2CC4)O1 ZINC000257405384 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)C(CO)(CO)[C@@H]2CC4)O1 ZINC000257405385 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(CO)(CO)[C@@H]2CC4)O1 ZINC000257405386 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(CO)(CO)[C@H]2CC4)O1 ZINC000257405387 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@](C)(CO)[C@H]2CC4)O1 ZINC000257410663 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@@](C)(CO)[C@@H]2CC4)O1 ZINC000257410664 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@@](C)(CO)[C@H]2CC4)O1 ZINC000257410665 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000257410666 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@@](C)(CO)[C@@H]2CC4)O1 ZINC000257414576 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000257414577 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@@](C)(CO)[C@H]2CC4)O1 ZINC000257414578 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC4)O1 ZINC000257414579 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC4)O1 ZINC000257435428 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000257435429 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@@](C)(CO)[C@@H]2CC4)O1 ZINC000257435430 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)[C@@](C)(CO)[C@H]2CC4)O1 ZINC000257435431 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@@](C)(CO)[C@H]2CC4)O1 ZINC000257447358 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1 ZINC000257447359 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@@](C)(CO)[C@@H]2CC4)O1 ZINC000257447360 JJ Annotated Anodyne CC[C@H](O)[C@@H]1C[C@H](C)[C@]2(CC(=O)[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CCC(=O)[C@](C)(CO)[C@H]2CC4)O1 ZINC000257447361 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](O)[C@H](C)[C@H]1C)OCO3 ZINC000257458280 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@]34CC[C@]2(O)[C@@]3(C)CC[C@@H]2[C@@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000257466108 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@]34CC[C@]2(O)[C@@]3(C)CC[C@@H]2[C@@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000257466109 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@]2(C)O[C@]34CC[C@]2(O)[C@@]3(C)CC[C@@H]2[C@@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000257466110 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@]2(C)O[C@]34CC[C@]2(O)[C@@]3(C)CC[C@@H]2[C@@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000257466111 JJ Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@@]23OC)c(C)c1Cl ZINC000257501475 JJ Annotated Reactive COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000257501476 JJ Annotated Reactive COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000257501477 JJ Annotated Reactive CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)C(CO)(CO)[C@@H]2CC4)O1 ZINC000257511389 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@@H](O)C(CO)(CO)[C@@H]2CC4)O1 ZINC000257511390 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@@H](O)C(CO)(CO)[C@H]2CC4)O1 ZINC000257511391 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C4=C(CC[C@]23C)[C@]2(C)CC[C@H](O)C(CO)(CO)[C@H]2CC4)O1 ZINC000257511392 JJ Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@@H]2[C@H]3[C@@H](C(C)(C)O)[C@H]4C[C@]3(C(=O)O4)[C@H](O)C[C@]21C ZINC000257548479 JJ Annotated Anodyne CC(C)(O)[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@@H](O)CC[C@@]54C)[C@]3(C)C[C@@H](O)[C@@]23C[C@H]1OC3=O ZINC000257548480 JJ Annotated Anodyne CC(C)(O)[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]54C)[C@]3(C)C[C@@H](O)[C@@]23C[C@H]1OC3=O ZINC000257548481 JJ Annotated Anodyne CC(C)(O)[C@@H]1[C@@H]2[C@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]54C)[C@]3(C)C[C@@H](O)[C@@]23C[C@H]1OC3=O ZINC000257548482 JJ Annotated Anodyne COc1cc(Br)c(-n2nnc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1 ZINC000026005061 JJ Annotated Anodyne O=S(=O)(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccc(Cl)cc1 ZINC000026025619 JJ Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)n(Cc2ccccc2)n1 ZINC000026028313 JJ Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(C)(C)C2 ZINC000026147722 JJ Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(C)(C)C2 ZINC000026147729 JJ Annotated Clean Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)C(C)(C)C2 ZINC000026159082 JJ Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)C(C)(C)C2 ZINC000026159089 JJ Annotated Clean Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cc(Cl)ccc3Cl)CC1)C(C)(C)C2 ZINC000026159108 JJ Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cc(Cl)ccc3Cl)CC1)C(C)(C)C2 ZINC000026159115 JJ Annotated Clean Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@H]2c3c(O)c(C)cc(C)c3CC2(C)C)CC1 ZINC000026165003 JJ Annotated Clean Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@H]2c3c(O)c(C)cc(C)c3CC2(C)C)CC1 ZINC000026165008 JJ Annotated Clean COc1ccc2nc3c(c(C)nn3[C@H]3C=C[C@@H](O[C@@H](O)CC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026167352 JJ Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3C=C[C@@H](O[C@H](O)CC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026167358 JJ Annotated Anodyne Cc1ccc(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1Cl ZINC000026171234 JJ Annotated Clean Cc1ccc(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1Cl ZINC000026171239 JJ Annotated Clean CO[C@@H]1CCCN1c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1 ZINC000026173475 JJ Annotated Anodyne N#Cc1ccc2c(c1)[C@@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CO2 ZINC000026174219 JJ Annotated Mild C/C(=C(\F)C(=O)Nc1ccc(-c2ccncc2S(C)(=O)=O)cc1)c1ccc2ccnc(N)c2c1 ZINC000026174884 JJ Annotated Anodyne CC(=O)c1ccc(C(=O)Nc2ccc(CCN3C[C@@H]4COc5ccc(C#N)cc5[C@@H]4C3)cc2)cc1 ZINC000026182366 JJ Annotated Mild CC(=O)c1ccc(C(=O)Nc2ccc(CCN3C[C@H]4COc5ccc(C#N)cc5[C@@H]4C3)cc2)cc1 ZINC000026182370 JJ Annotated Mild COc1cccc2c3c(=O)n([C@@H]4C(C)(C)[C@@H]5CC[C@@]4(C)C5)ccc3n(CCN3CCOCC3)c12 ZINC000026188945 JJ Annotated Anodyne CCCCCCO[C@@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026256539 JJ Annotated Anodyne CCCCCCO[C@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026256547 JJ Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=Cc4cc(-c5cccs5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026277653 JJ Annotated Anodyne CNc1ccccc1C(=O)N(C)C(=O)Nc1ccc(Oc2ncc(Br)cn2)c(C)c1 ZINC000026286893 JJ Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)Cc4ccccc4)ccc3n(C)c12 ZINC000026289973 JJ Annotated Bother O=C1Nc2ccccc2C2=N[C@H](CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)CN12 ZINC000026291758 JJ Annotated Anodyne O=C1Nc2ccccc2C2=N[C@H](CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)CN12 ZINC000026291761 JJ Annotated Anodyne O=C1Nc2ccccc2C2=N[C@@H](CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)CN12 ZINC000026291766 JJ Annotated Anodyne O=C1Nc2ccccc2C2=N[C@@H](CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)CN12 ZINC000026291771 JJ Annotated Anodyne CC(C)NC(=O)Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000026294307 JJ Annotated Mild CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)N(C)C1 ZINC000026378130 JJ Annotated Anodyne CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N(C)C1 ZINC000026378132 JJ Annotated Anodyne Cc1nnc(SC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C[C@H]3S2)s1 ZINC000026379198 JJ Annotated Anodyne CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 ZINC000026381449 JJ Annotated Anodyne Cc1cccnc1N1CCN(CC[C@@H]2Cn3c(-c4ccc(O)cc4)c(C)c4cccc(c43)O2)CC1 ZINC000026400250 JJ Annotated Anodyne Cc1cccnc1N1CCN(CC[C@H]2Cn3c(-c4ccc(O)cc4)c(C)c4cccc(c43)O2)CC1 ZINC000026400254 JJ Annotated Anodyne Cc1cccc(N2CCN(CC[C@@H]3Cn4c(-c5ccc(O)cc5)c(C)c5cccc(c54)O3)CC2)n1 ZINC000026402382 JJ Annotated Anodyne Cc1cccc(N2CCN(CC[C@H]3Cn4c(-c5ccc(O)cc5)c(C)c5cccc(c54)O3)CC2)n1 ZINC000026402386 JJ Annotated Anodyne C=CCN(CCCN1C=Cc2cc(OC)c(OC)cc2CC1=O)CCc1ccc(Cl)cc1 ZINC000026403830 JJ Annotated Mild Cc1ccnc(N2CCN(CC[C@@H]3Cn4c(-c5ccc(O)c(O)c5)c(C)c5cccc(c54)O3)CC2)c1 ZINC000026469675 JJ Annotated Clean Cc1ccnc(N2CCN(CC[C@H]3Cn4c(-c5ccc(O)c(O)c5)c(C)c5cccc(c54)O3)CC2)c1 ZINC000026469682 JJ Annotated Clean Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O ZINC000026471949 JJ Annotated Clean Cc1ccc(N2CCN(CC[C@@H]3Cn4c(-c5ccc(O)cc5)c(C)c5cccc(c54)O3)CC2)nc1 ZINC000026474456 JJ Annotated Anodyne Cc1ccc(N2CCN(CC[C@H]3Cn4c(-c5ccc(O)cc5)c(C)c5cccc(c54)O3)CC2)nc1 ZINC000026474464 JJ Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000026474747 JJ Annotated Bother Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O ZINC000026475081 JJ Annotated Clean CCc1ccc(CCOc2ccc(C[C@@H](CC(=O)N3C[C@H]4CCCC[C@H]4C3)C(=O)O)cc2)nc1 ZINC000026490025 JJ Annotated Anodyne CCc1ccc(CCOc2ccc(C[C@H](CC(=O)N3C[C@H]4CCCC[C@H]4C3)C(=O)O)cc2)nc1 ZINC000026490437 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)cc1 ZINC000026492928 JJ Annotated Bother COc1cc([C@@H]2c3cc4c(cc3C=C(/C=N/Nc3ccccc3)[C@H]2CO)OCO4)cc(OC)c1OC ZINC000026495279 JJ Annotated Mild FC(F)(F)c1nnc2c3ccccc3c(OCc3cccc(CN[C@@H]4C[C@H]4c4ccccc4)n3)nn12 ZINC000026499688 JJ Annotated Anodyne FC(F)(F)c1nnc2c3ccccc3c(OCc3cccc(CN[C@H]4C[C@H]4c4ccccc4)n3)nn12 ZINC000026499691 JJ Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000261070885 JJ Annotated Anodyne CO[C@H]1[C@@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1C ZINC000261095837 JJ Annotated Anodyne CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1N ZINC000261095840 JJ Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCC(C(F)(F)F)CC1 ZINC000261098783 JJ Annotated Anodyne Cc1nn(C(C)C)c2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261101592 JJ Annotated Anodyne Cc1nn(C(C)C)c2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261101594 JJ Annotated Anodyne C[N@+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261116509 JJ Annotated Bother C[N@@+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261116514 JJ Annotated Bother C[N@+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261116517 JJ Annotated Bother C[N@@+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000261116521 JJ Annotated Bother Cc1n[nH]c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000261117164 JJ Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000261117165 JJ Annotated Anodyne CCc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(N[C@@H]3CC[C@@H](OC)CC3)n2n1 ZINC000261124447 JJ Annotated Anodyne CC(C)c1noc(N2CCC(CO[C@@H]3CC[C@@H](c4ccc(S(C)(=O)=O)cc4F)CC3)CC2)n1 ZINC000261129631 JJ Annotated Anodyne O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000261136202 JJ Annotated Anodyne CC1(C)OC(=O)N([C@@H]2CC[C@@H](NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1 ZINC000261143340 JJ Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC000261146278 JJ Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/Cn3ccnc3)ccc1C2)c1ccc(Cl)s1 ZINC000261157502 JJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C(F)F)n3n1)C2=O ZINC000261168765 JJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C(F)F)n3n1)C2=O ZINC000261169222 JJ Annotated Anodyne C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000261171234 JJ Annotated Reactive C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000261171236 JJ Annotated Reactive C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000261171238 JJ Annotated Reactive C=C1C[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000261171239 JJ Annotated Reactive CCOc1ccc2cccnc2c1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261171721 JJ Annotated Anodyne CCOc1ccc2cccnc2c1C(=O)N1C[C@H]2C[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261174482 JJ Annotated Anodyne CCOc1ccc2cccnc2c1C(=O)N1C[C@H]2C[C@H](Nc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261174483 JJ Annotated Anodyne Cc1cc(N2C(=O)c3c(c(CF)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261180693 JJ Annotated Anodyne Cc1cc(N2C(=O)c3c(c(CF)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261180699 JJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261181019 JJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261181023 JJ Annotated Anodyne CCOc1ncc2ccccc2c1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261183202 JJ Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@@H](N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2=O)CC1 ZINC000261184774 JJ Annotated Anodyne Cc1cc(N2C(=O)c3nn(C(C)C)c(C)c3[C@@H]2c2ccc(Cl)cc2F)cn2c(C)nnc12 ZINC000261185069 JJ Annotated Anodyne Cc1cc(N2C(=O)c3nn(C(C)C)c(C)c3[C@H]2c2ccc(Cl)cc2F)cn2c(C)nnc12 ZINC000261185070 JJ Annotated Anodyne Cc1[nH]nc(-c2ccccc2)c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000261186738 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@H](C)O)c3)[C@@H]3[C@H](CCCCCO)SC[C@H]32)c1 ZINC000261187898 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@H](C)O)c3)[C@H]3[C@H](CCCCCO)SC[C@H]32)c1 ZINC000261187899 JJ Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)([C@H]2CCNC2=O)C3)c(Cl)c1 ZINC000261192987 JJ Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)([C@@H]2CCNC2=O)C3)c(Cl)c1 ZINC000261192988 JJ Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)([C@H]2CCNC2=O)C3)c(Cl)c1 ZINC000261192989 JJ Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)([C@@H]2CCNC2=O)C3)c(Cl)c1 ZINC000261192990 JJ Annotated Anodyne O=C(Nc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@@H](O)CC1)c1cccs1 ZINC000261506662 JJ Annotated Anodyne COC(=O)[C@]1(O)C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1c1ccc(Br)cc1 ZINC000263590254 JJ Annotated Anodyne COC(=O)[C@]1(O)C[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1c1ccc(Br)cc1 ZINC000263590255 JJ Annotated Anodyne O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000263590263 JJ Annotated Anodyne O=S(=O)(c1ccc(-c2ccccc2)cc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000263590264 JJ Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000263590297 JJ Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000263590298 JJ Annotated Anodyne CN(C)C=Nc1nc2c(Br)ccc(Br)c2cc1C(=O)NCC(C)(C)C ZINC000263590636 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@H](c3ccccc3)CC=CCC[C@@H](O)CC(=O)C2=C1O ZINC000263591045 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@@H](c3ccccc3)CC=CCC[C@H](O)CC(=O)C2=C1O ZINC000263591046 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@H](c3ccccc3)CC=CCC[C@H](O)CC(=O)C2=C1O ZINC000263591047 JJ Annotated Mild CO[C@@H]1C[C@@H]2C=C(C)C=CC=CC(=O)N[C@@H](c3ccccc3)CC=CCC[C@@H](O)CC(=O)C2=C1O ZINC000263591048 JJ Annotated Mild CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000263591787 JJ Annotated Anodyne O=C1C=C/C(=N/Nc2cccc(C(F)(F)F)c2)C=C1C=Nc1ccc(N2CCOCC2)cc1 ZINC000263592045 JJ Annotated Mild N#Cc1ccccc1NC(=O)[C@@H]1SC(=Nc2ccccc2)C(C(=O)Nc2ccc(Cl)cc2)=C1N ZINC000263592132 JJ Annotated Mild N#Cc1ccccc1NC(=O)[C@H]1SC(=Nc2ccccc2)C(C(=O)Nc2ccc(Cl)cc2)=C1N ZINC000263592133 JJ Annotated Mild NS(=O)(=O)c1cc(Br)c(N=Nc2ccc(O)c3ncccc23)c(Br)c1 ZINC000263602147 JJ Annotated Anodyne O=S(=O)(O)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)c2ccccc12 ZINC000263602527 JJ Annotated Clean O=C1[C@@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@@]42Cl ZINC000263620700 JJ Annotated Anodyne in-vitro CC(C)(C)c1cc(=NC(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(CC(N)=O)c2)[nH]1 ZINC000263620708 JJ Annotated Anodyne in-vitro Oc1ncnc2c(-n3cc(CCN4CCC(c5cc(Cl)cc(Cl)c5)CC4)cn3)nccc12 ZINC000263620975 JJ Annotated Anodyne COc1ccc(C(=O)NCc2ccnc(C#N)n2)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1 ZINC000263621170 JJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](O)[C@H](C)[C@H]1C)OCO3 ZINC000263636989 JJ Annotated Anodyne O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCc1c(F)c(F)c(F)c(F)c1F ZINC000026501599 JJ Annotated Clean CCc1ccc(CCOc2ccc(/C=C(\CC(=O)N3C[C@H]4CCCC[C@H]4C3)C(=O)O)cc2)nc1 ZINC000026502199 JJ Annotated Anodyne FC(F)(F)c1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12 ZINC000026502709 JJ Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCc3ccccn3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000026505721 JJ Annotated Bother O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(CCc2ccccn2)nc2cc(Cl)c(Cl)cc21 ZINC000026506047 JJ Annotated Bother CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2c([N+](=O)[O-])cnc2C)CC1 ZINC000026506131 JJ Annotated Bother Cc1ccsc1[C@H](c1c(C)noc1C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506514 JJ Annotated Anodyne Cc1ccsc1[C@@H](c1c(C)noc1C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506519 JJ Annotated Anodyne N#Cc1cccc([C@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000026508912 JJ Annotated Mild N#Cc1cccc([C@@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000026508917 JJ Annotated Mild N#Cc1ccc([C@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026566463 JJ Annotated Mild N#Cc1ccc([C@@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026566466 JJ Annotated Mild CN1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026575650 JJ Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccc(Cl)cc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026575651 JJ Annotated Anodyne O[C@@H](CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026575868 JJ Annotated Anodyne O[C@H](CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026575869 JJ Annotated Anodyne O[C@@H](CN1CCC(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026577981 JJ Annotated Anodyne O[C@H](CN1CCC(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026577982 JJ Annotated Anodyne CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(=O)O)c(C(=O)O)c1 ZINC000026578064 JJ Annotated Anodyne COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)cc2NC(C)=O)c(NC(C)=O)cc1OC ZINC000026579474 JJ Annotated Anodyne O=C1O/C(=C\Cn2cnc3c(Cl)ncnc32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000026580054 JJ Annotated Anodyne O=[N+]([O-])c1cccc(S(=O)(=O)n2c(CCc3ccccn3)nc3cc(Cl)c(Cl)cc32)c1 ZINC000026643176 JJ Annotated Bother N=C(NC1CCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCC4)cc3)CC2)cc1 ZINC000026646608 JJ Annotated Anodyne CC1=CC(=O)[C@H]2[C@@H](C)C(=O)[C@H]3[C@@](C)(CC4=[N+]5C[C@H]6C[C@H](C)C[C@]5(CC[C@@]4(C)[C@@]3(C)CC(=O)O)O6)[C@@H]2C1 ZINC000026650382 JJ Annotated Mild O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000026651389 JJ Annotated Bother CCCC(=O)c1cnc2c(OCCOCCOCCO)cccc2c1Nc1ccc(F)cc1C ZINC000026655601 JJ Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000026657423 JJ Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000026657428 JJ Annotated Anodyne C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@@H](c2ccc3cccnc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O ZINC000026659292 JJ Annotated Anodyne C/C1=C/C[C@@H](c2ccc3c(c2)ncn3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000026661072 JJ Annotated Anodyne C/C1=C/C[C@@H](c2ccc3c(c2)nc(C)n3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000026670594 JJ Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000026674959 JJ Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000026674961 JJ Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000026674964 JJ Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000026674967 JJ Annotated Anodyne Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 ZINC000026716997 JJ Annotated Anodyne Cc1cnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc2c1N1CCNCC1 ZINC000026723227 JJ Annotated Anodyne CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1 ZINC000026724774 JJ Annotated Anodyne CCOc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1 ZINC000026728631 JJ Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(COc3cccc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000026729338 JJ Annotated Mild CCc1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12 ZINC000026736176 JJ Annotated Anodyne CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026737325 JJ Annotated Bother CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc2c(c1)OCO2 ZINC000026743432 JJ Annotated Anodyne CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc(NC(C)=O)cc1 ZINC000026746142 JJ Annotated Anodyne OCCc1ccc(C2(c3ccc(CCO)s3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 ZINC000026817250 JJ Annotated Anodyne OCCc1ccc(C2(c3ccc(CCO)s3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 ZINC000026817255 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2OCC[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O1 ZINC000026819145 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@H]1C[C@H]2OCC[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O1 ZINC000026824116 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026826072 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026826082 JJ Annotated Anodyne CCOC(=O)Cn1c2ccccc2[n+]2c(C(=O)OCC)c3c(cc12)-c1cccc2cccc-3c12 ZINC000026826712 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026827798 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026827802 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026827807 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026827812 JJ Annotated Anodyne CC(=O)O[C@@H]1c2c(ccc3c(=O)c4cc5ccccc5cc4n(C)c23)OC(C)(C)[C@@H]1OC(C)=O ZINC000026831840 JJ Annotated Bother CCCC(=O)O[C@@H]1[C@H](O)c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC1(C)C ZINC000026831994 JJ Annotated Bother CCC(=O)O[C@@H]1C(=O)c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC1(C)C ZINC000026832408 JJ Annotated Bother CCC(=O)O[C@H]1C(=O)c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC1(C)C ZINC000026832412 JJ Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000026833980 JJ Annotated Bother C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]2C[C@@]3(C)C(=C12)C[C@H](O)[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C ZINC000026834608 JJ Annotated Anodyne Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN=C(N)N)cc3)c3cccc(C)c3nc12 ZINC000026836247 JJ Annotated Mild CC(=O)Nc1ccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccccc3nc2c1 ZINC000026836948 JJ Annotated Clean COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000026838065 JJ Annotated Bother COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc2c1 ZINC000026838869 JJ Annotated Clean C=CCCC(=O)O[C@@H]1[C@H](O)c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC1(C)C ZINC000026839007 JJ Annotated Mild CCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026840265 JJ Annotated Clean CCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O ZINC000026840983 JJ Annotated Clean CC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)cc1)S(C)(=O)=O ZINC000026842384 JJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(CN(C)C)cccc12 ZINC000026842692 JJ Annotated Clean NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026849214 JJ Annotated Clean C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(Br)cc21 ZINC000026851007 JJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2cc([N+](=O)[O-])ccc12 ZINC000026851544 JJ Annotated Clean COC(=O)CCC/C=C(\c1ccc(OC)c(OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000026852046 JJ Annotated Anodyne Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccc([N+](=O)[O-])cc3nc12 ZINC000026936030 JJ Annotated Clean COC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026939222 JJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)c(N)cc12 ZINC000026940439 JJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2cc(Br)ccc12 ZINC000026940856 JJ Annotated Clean CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000026958940 JJ Annotated Clean Clc1cc2nc(C3CCNCC3)n(Cc3ccc(CNC[C@@H]4CCCN4)cc3)c2cc1Cl ZINC000026962967 JJ Annotated Anodyne COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCBr)OCO2 ZINC000026974329 JJ Annotated Reactive Cc1cc(NCc2cnc(C)n2Cc2ccc(C#N)cc2)ccc1S(=O)(=O)c1ccccc1 ZINC000026985097 JJ Annotated Mild CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026987188 JJ Annotated Anodyne CCN(CC)CCOc1ccc([C@@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027083240 JJ Annotated Anodyne CCN(CC)CCOc1ccc([C@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027083245 JJ Annotated Anodyne CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)c1 ZINC000027084698 JJ Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)n(C)c1 ZINC000027084704 JJ Annotated Reactive O=c1c2c([nH]c3ccc(Cl)cc13)C[C@H](c1ccc(Cl)cc1Cl)C/C2=N\CCNCCO ZINC000027086420 JJ Annotated Mild O=c1c2c([nH]c3ccc(Cl)cc13)C[C@@H](c1ccc(Cl)cc1Cl)C/C2=N\CCNCCO ZINC000027086427 JJ Annotated Mild CC(=O)/C(=C\[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12)C(=O)c1ccccc1 ZINC000027086707 JJ Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c21 ZINC000027087664 JJ Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c21 ZINC000027087670 JJ Annotated Mild O=c1nc(O)n(C/C=C/c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)o1 ZINC000027092747 JJ Annotated Anodyne CCN(CC)CCn1[nH]c2c3cc(OC(=O)C(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027103082 JJ Annotated Bother CCN(CC)CCn1nc2c3ccccc3n(CCN(CC)CC)c3c([N+](=O)[O-])ccc1c23 ZINC000027106879 JJ Annotated Bother O=C(O)C[C@@]1(O)C[C@@H](CCCCCCc2ccc(Cl)cc2COc2ccccc2)OC1=O ZINC000027107780 JJ Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN4CCCCC4)sc3cc2s1 ZINC000027109657 JJ Annotated Mild CCN(CC)C/C(O)=N/c1nc2c(s1)c(OC)cc1nc(/N=C(\O)CN(CC)CC)sc12 ZINC000027110102 JJ Annotated Mild O=C1[C@H](Cc2cccc3ccccc23)N(CCC#Cc2ccccc2)C(=O)N1CCN1CCCC1 ZINC000027110263 JJ Annotated Mild CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CC)CC)sc3c(OC)c2s1 ZINC000027182491 JJ Annotated Mild CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CC)CC)sc3c([N+](=O)[O-])c2s1 ZINC000027182953 JJ Annotated Mild S/C(=N\C1=N[C@@H]2C=CC=C[C@@H]2S1)SS/C(S)=N/C1=N[C@@H]2C=CC=C[C@@H]2S1 ZINC000027192146 JJ Annotated Reactive S/C(=N\C1=N[C@H]2C=CC=C[C@@H]2S1)SS/C(S)=N/C1=N[C@@H]2C=CC=C[C@@H]2S1 ZINC000027192152 JJ Annotated Reactive S/C(=N\C1=N[C@@H]2C=CC=C[C@@H]2S1)SS/C(S)=N/C1=N[C@H]2C=CC=C[C@H]2S1 ZINC000027192165 JJ Annotated Reactive CC[C@]12CCCN3C[C@H](OC(=O)c4ccccc4)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027200438 JJ Annotated Anodyne Cc1cc(NC(=O)COc2ccc3[nH]c(-c4ccc(Cl)s4)nc3c2)ccc1N1CCOCC1=O ZINC000027204254 JJ Annotated Anodyne CC[C@]12CCCN3C[C@H](OC(=O)c4ccccc4)[C@]4(C(=Nc5ccccc54)[C@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027205488 JJ Annotated Anodyne Cc1cc2c(cc1C(=O)N1CCN(c3ccccc3)CC1)[n+](=O)c1cc(Cl)c(Cl)cc1n2O ZINC000027299551 JJ Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ncccc3CCc3cc(Cl)c4[nH]ccc4c32)CC1 ZINC000027300382 JJ Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(Br)cc2)CC(=O)O1 ZINC000027309396 JJ Annotated Anodyne Cc1c(Cl)c2c(c(O)c1C=O)C[C@@H](C[C@](C)(O)/C=C/[C@@]1(C)[C@H](C)CCC3(OCCO3)[C@@H]1C)O2 ZINC000027405649 JJ Annotated Anodyne Cc1c(Cl)c2c(c(O)c1C=O)C[C@@H](C[C@@](C)(O)/C=C/[C@@]1(C)[C@H](C)CCC3(OCCO3)[C@@H]1C)O2 ZINC000027405652 JJ Annotated Anodyne Cc1c(Cl)c2c(c(O)c1C=O)C[C@H](C[C@](C)(O)/C=C/[C@@]1(C)[C@H](C)CCC3(OCCO3)[C@@H]1C)O2 ZINC000027405656 JJ Annotated Anodyne Cc1c(Cl)c2c(c(O)c1C=O)C[C@H](C[C@@](C)(O)/C=C/[C@@]1(C)[C@H](C)CCC3(OCCO3)[C@@H]1C)O2 ZINC000027405660 JJ Annotated Anodyne CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)[C@H](NC)C4 ZINC000027412019 JJ Annotated Mild CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)[C@@H](NC)C4 ZINC000027412024 JJ Annotated Mild C#CCOc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@@](OCCCc4ccccc4)([C@H](NC)C2)[C@@]31CCC ZINC000027420200 JJ Annotated Mild C#CCOc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@@](OCCCc4ccccc4)([C@@H](NC)C2)[C@@]31CCC ZINC000027420205 JJ Annotated Mild CCc1cccc(N(C)/C(N)=N/c2cc(Br)cc([S@@](C)=O)c2Br)c1 ZINC000027426376 JJ Annotated Mild CCc1cccc(N(C)/C(N)=N/c2cc(Br)cc([S@](C)=O)c2Br)c1 ZINC000027426381 JJ Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@H]1O ZINC000271778297 JJ Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000271778302 JJ Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@H](C)[C@@H]1O ZINC000271778307 JJ Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@H](C)[C@H]1O ZINC000271778311 JJ Annotated Mild CC(C)c1ccc(O)c(/C=N/CCCNCCNCCC/N=C/c2cc(C(C)C)ccc2O)c1 ZINC000027517994 JJ Annotated Mild CO[C@@](C(=O)NC[C@@H]1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F ZINC000027518902 JJ Annotated Anodyne CO[C@](C(=O)NC[C@@H]1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F ZINC000027518903 JJ Annotated Anodyne CO[C@@](C(=O)NC[C@H]1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F ZINC000027518904 JJ Annotated Anodyne CO[C@](C(=O)NC[C@H]1CN=C(c2ccccc2F)c2ccccc2N1C)(c1ccccc1)C(F)(F)F ZINC000027518905 JJ Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H](C(=O)OC)c1ccccc1O)P(=O)(OCC)OCC ZINC000027518960 JJ Annotated Anodyne CCOP(=O)(OCC)C(C[C@H](C(=O)OC)c1ccccc1O)P(=O)(OCC)OCC ZINC000027518961 JJ Annotated Anodyne C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3N)cc2)cc1 ZINC000027523722 JJ Annotated Anodyne CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(C)c3nc3c(C(=O)NC)cccc23)c1 ZINC000027524472 JJ Annotated Clean CCC(CC)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)O ZINC000027527056 JJ Annotated Anodyne CCN(CC)CCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 ZINC000027527291 JJ Annotated Bother CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC)O1 ZINC000027551700 JJ Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC)O1 ZINC000027551704 JJ Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC)O1 ZINC000027551707 JJ Annotated Anodyne CCOc1ccccc1N(CC)C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554633 JJ Annotated Anodyne CCOc1ccccc1N(CC)C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554635 JJ Annotated Anodyne C=CCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554659 JJ Annotated Mild C=CCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554661 JJ Annotated Mild CCCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554698 JJ Annotated Anodyne CCCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027554700 JJ Annotated Anodyne CCN(C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027556375 JJ Annotated Anodyne CCN(Cc1ccc(-c2ccccc2-n2ncnn2)cc1)c1nc2nc3ccccc3n2s1 ZINC000027557565 JJ Annotated Anodyne CCOC(=O)c1c(Cn2ccnc2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027559717 JJ Annotated Anodyne CC(C)(C)C(=O)c1ccc(C(=O)OCC(O)COC(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027564332 JJ Annotated Anodyne C=NC(=O)CCc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12 ZINC000027564468 JJ Annotated Mild O=C(O)c1ccc(NC(=S)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)cc1 ZINC000027628172 JJ Annotated Reactive O=C1CC(c2ccccc2)CC(=O)N1c1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027630217 JJ Annotated Reactive O=C(CCc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027630759 JJ Annotated Reactive O=C(O)c1cccc(NC(=S)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)c1 ZINC000027630765 JJ Annotated Reactive O=C(Cc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 ZINC000027635672 JJ Annotated Reactive CN(Cc1nnn[nH]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000027638139 JJ Annotated Anodyne CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000027640365 JJ Annotated Anodyne CCOC(=O)c1ccc(/N=C2/C(Nc3ccc(C(=O)OCC)cc3)=CC(=O)c3ncccc32)cc1 ZINC000027647046 JJ Annotated Mild c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCNCC2)cc1 ZINC000027649227 JJ Annotated Bother C=C1C[C@H](O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000027653139 JJ Annotated Mild CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3C(F)(F)F)n2c1 ZINC000027653374 JJ Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@H](O)C1)O2 ZINC000027655862 JJ Annotated Mild CCCCCC(=O)Nc1ccc2nc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]cc(C)c35)ccc2c1 ZINC000027655958 JJ Annotated Mild CCCCCC(=O)Nc1ccc2nc(C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)c3[nH]cc(C)c35)ccc2c1 ZINC000027655960 JJ Annotated Mild Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5ccccc5)ccc4[nH]1)C3=CC2=O ZINC000027655969 JJ Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5ccccc5)ccc4[nH]1)C3=CC2=O ZINC000027655971 JJ Annotated Mild CCOCCOC(=O)/C(O)=N/c1nc(-c2c(-c3c(F)cccc3Cl)noc2C)cs1 ZINC000027656641 JJ Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@H](O)C1)O2 ZINC000027657412 JJ Annotated Mild COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc(N)ccc23)cc1 ZINC000027703985 JJ Annotated Anodyne O=C(Nc1nc(-c2cc(-c3c(F)cccc3Cl)no2)cs1)C(=O)OCc1ccccc1 ZINC000027708704 JJ Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SCc3ccccc3)ccc12 ZINC000027720600 JJ Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SCc3ccccc3)ccc12 ZINC000027720608 JJ Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SCc3ccccc3)ccc12 ZINC000027720613 JJ Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SCc3ccccc3)ccc12 ZINC000027720619 JJ Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1C1=CC=CN(C(=O)Oc2ccccc2)C1 ZINC000027721476 JJ Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1C1=CC=CN(C(=O)Oc2ccccc2)C1 ZINC000027721482 JJ Annotated Anodyne COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccc(C)cc3nc12 ZINC000027726986 JJ Annotated Clean CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000027737494 JJ Annotated Bother CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000027737501 JJ Annotated Bother CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 ZINC000027737507 JJ Annotated Bother CC(=O)c1cccc2c(N(C)Cc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)ccc(N)c12 ZINC000027741292 JJ Annotated Anodyne CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000027748704 JJ Annotated Bother CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000027748710 JJ Annotated Bother CC(=O)c1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000027748715 JJ Annotated Bother C[C@@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CCCN)C(=O)O)C1=O ZINC000027767690 JJ Annotated Anodyne C[C@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CCCN)C(=O)O)C1=O ZINC000027767696 JJ Annotated Anodyne C[C@@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CCCN)C(=O)O)C1=O ZINC000027767703 JJ Annotated Anodyne C[C@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CCCN)C(=O)O)C1=O ZINC000027767710 JJ Annotated Anodyne S=C(N/N=C(/c1ccccn1)C12CC3CC(CC(C3)C1)C2)NNC(=S)c1ccc(Cl)cc1 ZINC000027846107 JJ Annotated Mild N=C(N)SCCCn1c(-c2cccc3ccccc23)c(C2=CC(=O)NC2=O)c2ccccc21 ZINC000027846658 JJ Annotated Anodyne C[C@@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)O)C(=O)O)C1=O ZINC000027846666 JJ Annotated Anodyne C[C@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)O)C(=O)O)C1=O ZINC000027846675 JJ Annotated Anodyne C[C@@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)O)C(=O)O)C1=O ZINC000027846684 JJ Annotated Anodyne C[C@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](CC(=O)O)C(=O)O)C1=O ZINC000027846691 JJ Annotated Anodyne COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](Cc4ccccc4)CN(C)C)c3nc12 ZINC000027848872 JJ Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](Cc4ccccc4)CN(C)C)c3nc12 ZINC000027848878 JJ Annotated Clean CC(C)c1ccccc1SC1=C(O)O[C@@](CCC(=O)N2CCNCC2)(c2ccccc2)CC1=O ZINC000027850880 JJ Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCC(=O)N2CCNCC2)(c2ccccc2)CC1=O ZINC000027850888 JJ Annotated Mild Oc1c(CN2CCCC2)cc(CNc2nnc(Cl)c3ccccc23)cc1CN1CCCC1 ZINC000027881301 JJ Annotated Clean CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2 ZINC000027890351 JJ Annotated Mild CCC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2 ZINC000027890357 JJ Annotated Mild Cc1ccc(OC[C@H]2O[C@@H](n3ncc(Cl)c(Cl)c3=O)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000027892805 JJ Annotated Anodyne Cc1ccc(OC[C@H]2O[C@H](n3ncc(Cl)c(Cl)c3=O)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000027892820 JJ Annotated Anodyne CC(C)N(CCNc1ccc(NCCN(C(C)C)C(C)C)c2c1C(=O)c1ccncc1C2=O)C(C)C ZINC000027897402 JJ Annotated Clean CC[C@@]12C=C(C(=O)OCCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027897884 JJ Annotated Anodyne CC[C@@]12C=C(C(=O)OCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027900090 JJ Annotated Anodyne Cc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c(O)cc(=O)oc4c3)nc(N)c12 ZINC000027900260 JJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(C(C)(C)C(C)(C)c2cc(OC(C)=O)cc(OC(C)=O)c2)c1 ZINC000027900979 JJ Annotated Anodyne CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c(O)cc(=O)oc4c3)nc(N)c12 ZINC000027901021 JJ Annotated Anodyne CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@@H]3COC(C)(C)O3)c(Cl)c1Cl)C2 ZINC000027983789 JJ Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@@H]3COC(C)(C)O3)c(Cl)c1Cl)C2 ZINC000027983796 JJ Annotated Mild CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@H]3COC(C)(C)O3)c(Cl)c1Cl)C2 ZINC000027983801 JJ Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC[C@H]3COC(C)(C)O3)c(Cl)c1Cl)C2 ZINC000027983807 JJ Annotated Mild CC(=O)Oc1ccc(C(C)(C)C(C)(C)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O ZINC000027984443 JJ Annotated Anodyne CN(C)c1ccc(-c2cc(-c3cccc(I)c3)c3c(N)ncnc3n2)cc1 ZINC000027991555 JJ Annotated Anodyne O=C(c1cccc2ncccc12)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028002915 JJ Annotated Anodyne O=C(c1cccc2ncccc12)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000028002919 JJ Annotated Anodyne Cc1ccc(OCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1 ZINC000028007079 JJ Annotated Anodyne Cc1noc(NS(=O)(=O)c2sccc2/C=C/c2ccc3c(c2)OCO3)c1Br ZINC000028011370 JJ Annotated Anodyne Cc1noc(C)c1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000028020785 JJ Annotated Mild Cc1cc2c(cc1/C=C/c1ccsc1S(=O)(=O)Nc1onc(C)c1Br)OCO2 ZINC000028090266 JJ Annotated Anodyne CCCCCOc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)cc1 ZINC000028093500 JJ Annotated Mild COc1ccc(-n2nc(C#C[C@@H](C)N(O)C(=O)c3cccnc3)cc2-c2ccc(C)cc2)cc1 ZINC000028101554 JJ Annotated Mild COc1ccc(-n2nc(C#C[C@H](C)N(O)C(=O)c3cccnc3)cc2-c2ccc(C)cc2)cc1 ZINC000028101559 JJ Annotated Mild c1ccc2c(c1)CNCCNCCNCc1ccccc1OCC(Oc1ccc3ccccc3c1)CO2 ZINC000028106261 JJ Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/Cn3ccnc3)ccc1C2)c1ccc(Cl)s1 ZINC000028119550 JJ Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/Cn3ccnc3)ccc1C2)c1ccc(Cl)s1 ZINC000028119556 JJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccccc1C(F)(F)F ZINC000028128903 JJ Annotated Anodyne COc1ccc([C@@H](O)CN[C@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000028131988 JJ Annotated Anodyne COc1ccc([C@H](O)CN[C@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000028131994 JJ Annotated Anodyne COc1ccc([C@@H](O)CN[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000028132000 JJ Annotated Anodyne COc1ccc([C@H](O)CN[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000028132005 JJ Annotated Anodyne COc1ccc([C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028218669 JJ Annotated Mild CCN(C(=O)c1cn(-c2ccc(OC)cc2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000028219166 JJ Annotated Anodyne CC[C@@H](C)[C@@H](NC(=O)C1(Oc2ccc(CC(=O)Nc3cc(C)cc(C)c3)cc2)CCCC1)C(=O)O ZINC000028221707 JJ Annotated Anodyne CC(C)c1ccc([C@H](c2ccc(C(=O)O)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028221883 JJ Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCN1CCC(Cc2cc3cc(F)ccc3[nH]2)CC1 ZINC000028223845 JJ Annotated Anodyne Cn1c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc2cc(O)ccc21 ZINC000028225140 JJ Annotated Anodyne CC(C)c1ccc([C@H](c2ccc3c(c2)OCO3)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028226413 JJ Annotated Anodyne O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc2ccccc2n1 ZINC000028227326 JJ Annotated Reactive O=C1c2ccccc2C(=O)N1CCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028229795 JJ Annotated Anodyne CC(C)C[C@@H](N)C(=O)N1C[C@@H](C[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000028238254 JJ Annotated Anodyne CC(C)C[C@H](N)C(=O)N1C[C@@H](C[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000028238260 JJ Annotated Anodyne CC(C)C[C@@H](N)C(=O)N1C[C@H](C[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000028238266 JJ Annotated Anodyne CC(C)C[C@H](N)C(=O)N1C[C@H](C[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000028238271 JJ Annotated Anodyne CC(=O)N1[C@H](Cc2cn(C)c3ccccc23)C(=O)N(C)c2ccccc2[C@@H]1c1ccccc1F ZINC000028238771 JJ Annotated Anodyne CC(=O)N1[C@@H](Cc2cn(C)c3ccccc23)C(=O)N(C)c2ccccc2[C@@H]1c1ccccc1F ZINC000028238780 JJ Annotated Anodyne CC(=O)N1[C@H](c2ccccc2F)c2ccccc2N(C)C(=O)[C@H]1Cc1cn(C)c2ccccc12 ZINC000028238783 JJ Annotated Anodyne CC(=O)N1[C@@H](Cc2cn(C)c3ccccc23)C(=O)N(C)c2ccccc2[C@H]1c1ccccc1F ZINC000028238795 JJ Annotated Anodyne CN(C)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 ZINC000028240600 JJ Annotated Anodyne CN(C)CCN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 ZINC000028240607 JJ Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000028252854 JJ Annotated Mild in-vivo N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)cc2n1 ZINC000028252860 JJ Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccccc3)n2)ccc1O ZINC000028256154 JJ Annotated Mild COC(=O)Cc1ccc(COc2ccc3cc([C@@H]([C@@H](C)N(C)C)n4ccnc4)ccc3c2)cc1 ZINC000028335695 JJ Annotated Anodyne COC(=O)Cc1ccc(COc2ccc3cc([C@H]([C@@H](C)N(C)C)n4ccnc4)ccc3c2)cc1 ZINC000028335702 JJ Annotated Anodyne COC(=O)Cc1ccc(COc2ccc3cc([C@@H]([C@H](C)N(C)C)n4ccnc4)ccc3c2)cc1 ZINC000028335709 JJ Annotated Anodyne COC(=O)Cc1ccc(COc2ccc3cc([C@H]([C@H](C)N(C)C)n4ccnc4)ccc3c2)cc1 ZINC000028335716 JJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)O)C[C@@](CC(C)C)(C(=O)O)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028337223 JJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000028339333 JJ Annotated Anodyne CC(C)c1sc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1F ZINC000028340473 JJ Annotated Reactive CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028340880 JJ Annotated Anodyne O=C(O)C[C@H](c1cnc[nH]1)N(CC1CCCCC1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000028341019 JJ Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CC1CCCCC1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000028341024 JJ Annotated Anodyne O=C(/C=C/c1ccccc1C(F)(F)F)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028342932 JJ Annotated Anodyne O=C(/C=C/c1ccccc1C(F)(F)F)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028342940 JJ Annotated Anodyne O=C(/C=C/c1ccccc1Cl)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028343578 JJ Annotated Anodyne O=C(/C=C/c1ccccc1Cl)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028343585 JJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028344814 JJ Annotated Anodyne COc1ccc(F)c(CC2CCN(C3CCC4(CC3)OC(=O)c3c4ccc4c3OCCO4)CC2)c1 ZINC000028345535 JJ Annotated Anodyne O=c1[nH]c2cc3c(cc2c2c1[C@@H](N1CCC(Cc4cc(F)ccc4F)CC1)CCC2)OCO3 ZINC000028345545 JJ Annotated Anodyne O=C(OCC(Cl)(Cl)Cl)N(C(=O)OCC(Cl)(Cl)Cl)c1onc2c1CCC2 ZINC000028346106 JJ Annotated Anodyne Oc1ncnc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc12 ZINC000028346707 JJ Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4F)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028347833 JJ Annotated Anodyne COc1ccccc1Sc1ccc(-c2ccnc(N3C[C@H](O)C[C@H]3C(=O)O)c2)cc1C(F)(F)F ZINC000028349146 JJ Annotated Anodyne CCOc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1cccc(Cl)c1 ZINC000028358657 JJ Annotated Anodyne O=C1O[C@@H](COc2ccccn2)CN1c1ccc(N2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC000028360929 JJ Annotated Anodyne CCCN(CCC)c1cc(C)nc2c(-c3ncc(I)cc3C)c(C)nn12 ZINC000028360986 JJ Annotated Anodyne CCCC(CCC)n1c(CC)nc2c1c(=O)n(C)c(=O)n2-c1cc(-c2cccnc2)c(OC)cc1C ZINC000028361119 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCCc1ccccc1)C2 ZINC000028361277 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCCc1ccccc1)C2 ZINC000028361284 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCCc1ccccc1)C2 ZINC000028361291 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCCc1ccccc1)C2 ZINC000028361296 JJ Annotated Anodyne CSN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c(F)c2)C(=O)O1 ZINC000028368394 JJ Annotated Anodyne COc1ccccc1CC1CCN(C2CCC3(CC2)OC(=O)c2c3ccc3c2OCCO3)CC1 ZINC000028371604 JJ Annotated Anodyne Cc1c(C(=O)N/N=C/c2cccs2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028373458 JJ Annotated Reactive CCN[C@@H](CO)Sc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028374302 JJ Annotated Anodyne CCN[C@H](CO)Sc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028374308 JJ Annotated Anodyne CCN[C@@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028374372 JJ Annotated Anodyne CCN[C@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028374379 JJ Annotated Anodyne COc1ccc(F)c(CC2CCN(C3CCC4(CC3)OC(=O)c3c4ccc4c3OCO4)CC2)c1 ZINC000028375956 JJ Annotated Anodyne CCCOC(=O)N(CC(=O)O)C(=O)c1c(Br)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000028377785 JJ Annotated Anodyne COC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2c(ccc3ccccc23)C(=O)[C@]12CCN=N2 ZINC000028379410 JJ Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4cc(F)ccc4F)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028380073 JJ Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4cc(F)ccc4F)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028382623 JJ Annotated Anodyne Cc1c(-c2ccc(Cl)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028386367 JJ Annotated Anodyne O=C(O)C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cnc2c(c1)CCCC2 ZINC000028397148 JJ Annotated Anodyne COc1cc(C(=O)OC[C@@H](C)CC2=C(O)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000028398109 JJ Annotated Mild O=C(O)C[C@H](c1cnc2ccccc2c1)C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1 ZINC000028455722 JJ Annotated Anodyne N#Cc1ccc(NC(=S)NCCCNCc2cc(Br)cc(Br)c2)cc1 ZINC000028455810 JJ Annotated Mild Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000028455874 JJ Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(C(N)=O)cc2)cc1 ZINC000028456013 JJ Annotated Anodyne CCC1=NN2C/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 ZINC000028459126 JJ Annotated Anodyne CCCCCC[C@@H](C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028460106 JJ Annotated Bother CCCCCC[C@H](C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028460109 JJ Annotated Bother O=S(=O)(/N=C(\O)c1ccc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000028461140 JJ Annotated Mild CCC1(CC)C(=O)N([C@@H]2OC(=O)N(c3ccc(C)cc3)C2=O)[C@@H]1Sc1nc2ccccc2o1 ZINC000028462447 JJ Annotated Anodyne CCC1(CC)C(=O)N([C@@H]2OC(=O)N(c3ccc(C)cc3)C2=O)[C@H]1Sc1nc2ccccc2o1 ZINC000028462450 JJ Annotated Anodyne CCC1(CC)C(=O)N([C@H]2OC(=O)N(c3ccc(C)cc3)C2=O)[C@@H]1Sc1nc2ccccc2o1 ZINC000028462454 JJ Annotated Anodyne CCC1(CC)C(=O)N([C@H]2OC(=O)N(c3ccc(C)cc3)C2=O)[C@H]1Sc1nc2ccccc2o1 ZINC000028462458 JJ Annotated Anodyne COc1ccc2c(c1OCc1ccsc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028465863 JJ Annotated Anodyne CC/N=C(/N=C(\O)OCC)Nc1ccc2c(c1)Cc1cc(N/C(=N/C(=O)OCC)NCC)ccc1-2 ZINC000028466400 JJ Annotated Mild CN(C)CCNc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2N2CCN(C)CC2)c1 ZINC000028466449 JJ Annotated Mild Cc1c(S(=O)(=O)Nc2ccc3ncc(N4CCNCC4)cc3c2)sc2ccc(Cl)cc12 ZINC000028466976 JJ Annotated Anodyne Cc1cccc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cc3)c12 ZINC000028467279 JJ Annotated Anodyne COc1ccc(OC)c(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000028470045 JJ Annotated Anodyne COc1ccc2c(c1-c1ccsc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028470420 JJ Annotated Anodyne COc1cc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc(OC)c1OC ZINC000028471926 JJ Annotated Anodyne COc1cc(OC)c(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1OC ZINC000028472338 JJ Annotated Anodyne CN(C)CCNc1cccc(C(=O)/C=C/c2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1 ZINC000028474145 JJ Annotated Mild O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1O ZINC000028474542 JJ Annotated Anodyne CN(C)CCNc1cccc(C(=O)/C=C/c2cc(-c3ccccc3)cc(N3CCN(C)CC3)c2)c1 ZINC000028475614 JJ Annotated Mild COc1ccc2c(c1-c1cc(F)cc(F)c1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028476408 JJ Annotated Anodyne N[C@@H](Cn1c(=O)c(-c2ccccc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028476789 JJ Annotated Anodyne CN(C)CCNc1cccc(C(=O)/C=C/c2cc(N3CCN(C)CC3)ccc2-c2ccccc2)c1 ZINC000028477434 JJ Annotated Mild COc1cc2c(=O)n(CCN(C(C)C)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028520492 JJ Annotated Bother COc1cc2c(=O)n(CCN(C)Cc3ccccc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028520528 JJ Annotated Bother CN(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028521120 JJ Annotated Anodyne C[C@@H](CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028521285 JJ Annotated Anodyne C[C@H](CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028521287 JJ Annotated Anodyne CONC(=O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028521536 JJ Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1ccccc1 ZINC000028522641 JJ Annotated Anodyne CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2cccc(N(C)C)c2)n1 ZINC000028524169 JJ Annotated Anodyne C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@@H](O)C1)O2 ZINC000028524299 JJ Annotated Mild COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1F)CC2 ZINC000028524690 JJ Annotated Anodyne COCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 ZINC000028524806 JJ Annotated Bother N[C@H](CNc1cc(-c2ccncn2)c(-c2cccc(C(F)(F)F)c2)nn1)Cc1ccccc1 ZINC000028525180 JJ Annotated Anodyne C[C@@](N)(CNc1cc(-c2ccncn2)c(-c2cccc(C(F)(F)F)c2)nn1)Cc1ccccc1 ZINC000028525387 JJ Annotated Anodyne C[C@](N)(CNc1cc(-c2ccncn2)c(-c2cccc(C(F)(F)F)c2)nn1)Cc1ccccc1 ZINC000028525388 JJ Annotated Anodyne O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCc3ccccn3)c2=O)cc1 ZINC000028526602 JJ Annotated Anodyne O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCN3CCCCC3)c2=O)cc1 ZINC000028526705 JJ Annotated Anodyne C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000028526726 JJ Annotated Anodyne COc1ccc(OC)c(-c2cc(-c3ccc(O)cc3)nc(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000028527523 JJ Annotated Anodyne CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12 ZINC000028528361 JJ Annotated Clean CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 ZINC000028528362 JJ Annotated Clean CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000028528430 JJ Annotated Anodyne in-vitro CCC(CC)(c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(OC[C@H](O)CO)c(C)c1 ZINC000028528431 JJ Annotated Anodyne in-vitro CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000028528432 JJ Annotated Anodyne in-vitro CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000028528433 JJ Annotated Anodyne in-vitro C=C(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(C)(=O)=O)cc1 ZINC000028528537 JJ Annotated Anodyne CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000028528901 JJ Annotated Clean O=S(=O)(Nc1cccc(Oc2ccccc2Cl)c1)N1CCC(NCc2ccccc2O)CC1 ZINC000028529787 JJ Annotated Clean CCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000028530714 JJ Annotated Mild COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(Br)=CC3=O)c2[nH]c3ccccc3c2c1C ZINC000028530790 JJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](CC[C@@]21C(=O)O)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@@H]3O ZINC000028541274 JJ Annotated Anodyne N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)cc1 ZINC000028564736 JJ Annotated Mild N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(F)cc2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000028564790 JJ Annotated Mild CCN(CC)c1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2 ZINC000028564844 JJ Annotated Clean N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000028564867 JJ Annotated Mild COc1cccc(OC)c1C(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 ZINC000028566907 JJ Annotated Mild COc1ccc(C(=O)O[C@@H]2C=CC(=O)[C@@]3(CC(=O)O[C@@H]3/C=C(\C)CCC=C(C)C)C2)cc1OC ZINC000028566911 JJ Annotated Mild COc1cc(OC)cc(C(=O)O[C@@H]2C=CC(=O)[C@@]3(CC(=O)O[C@@H]3/C=C(\C)CCC=C(C)C)C2)c1 ZINC000028566913 JJ Annotated Mild C[C@@H]1C[C@]2(C)/C(=N/CCCNCCCCNCCCN)Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000028567073 JJ Annotated Mild C[C@H]1C[C@]2(C)/C(=N/CCCNCCCCNCCCN)Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000028567075 JJ Annotated Mild COc1cc(C(=O)O[C@@H]2C=CC(=O)[C@@]3(CC(=O)O[C@@H]3/C=C(\C)CCC=C(C)C)C2)cc(OC)c1OC ZINC000028567247 JJ Annotated Mild COc1ccc(C(=O)O[C@@H]2C=CC(=O)[C@@]3(CC(=O)O[C@@H]3/C=C(\C)CCC=C(C)C)C2)c(OC)c1 ZINC000028567663 JJ Annotated Mild CCN(CC)CCOc1c(C(=O)OC)c2c3c(oc2c2ccccc12)C(=O)c1ccccc1C3=O ZINC000028568060 JJ Annotated Clean CC[C@@H](C)c1ncc(/C=C/C(=O)OC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028568112 JJ Annotated Anodyne CC[C@H](C)c1ncc(/C=C/C(=O)OC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028568113 JJ Annotated Anodyne CC[C@@H](C)c1ncc(CCC(=O)OC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028568114 JJ Annotated Anodyne CC[C@H](C)c1ncc(CCC(=O)OC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028568115 JJ Annotated Anodyne COc1ccc([C@@H](CC(=O)O)Cc2csc(CCCCNc3cc(N4CCCC4)ccn3)n2)cn1 ZINC000028568706 JJ Annotated Anodyne COc1ccc([C@H](CC(=O)O)Cc2csc(CCCCNc3cc(N4CCCC4)ccn3)n2)cn1 ZINC000028568707 JJ Annotated Anodyne O=S(=O)(NN1C(=S)S/C(=C\c2ccc(Cl)c(Cl)c2)[C@@H]1O)c1ccc(Cl)cc1 ZINC000028568979 JJ Annotated Anodyne O=S(=O)(NN1C(=S)S/C(=C\c2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccc(Cl)cc1 ZINC000028568980 JJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccccn2)n1 ZINC000028569956 JJ Annotated Anodyne CC(C)CN1CCN(c2nc(Nc3ccc(F)c(F)c3)nc(Nc3ccc(F)c(F)c3)n2)CC1 ZINC000028570109 JJ Annotated Anodyne COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)C(C)(C)C(=O)O)(c1ccc(F)cc1)C2=O ZINC000028572033 JJ Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)C(C)(C)C(=O)O)(c1ccc(F)cc1)C2=O ZINC000028572034 JJ Annotated Clean Cn1ccnc1-c1ccc(O)c(Cn2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc2=O)c1 ZINC000028603963 JJ Annotated Clean OC[C@@H]1C[C@H](Cn2cnc3c(Cl)ncnc32)c2c(-c3ccccc3)nnc(-c3ccccc3)c21 ZINC000028635915 JJ Annotated Anodyne CN1C2=CC=CN(CCc3ccc(OCc4ccccc4)cc3)C2=Nc2ccccc2S1(=O)=O ZINC000028637410 JJ Annotated Anodyne Cn1c2ccccc2c2c3c(cc(/C=C/C(=O)N4CCOCC4)cc31)c1cc(Cl)ccc1[n+]2C ZINC000028638370 JJ Annotated Bother COc1ccc(CCCN2C=CC=C3C2=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N3C)cc1 ZINC000028638697 JJ Annotated Anodyne COc1ccc(CN2C=CC=C3C2=Nc2ccccc2N(Cc2ccc(OC)cc2)S3(=O)=O)cc1 ZINC000028638845 JJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12 ZINC000028639832 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12 ZINC000028640442 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)N/N=C\c3ccc(O)cc3)c12 ZINC000028641662 JJ Annotated Reactive COc1ccc(-c2cc(C(=O)N/N=C\c3ccc(O)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000028641853 JJ Annotated Reactive CC[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(S)nc2c1 ZINC000028642411 JJ Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(S)nc2c1 ZINC000028642413 JJ Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(CO)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647083 JJ Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(CO)=CC[C@@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647085 JJ Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(CO)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647088 JJ Annotated Anodyne CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@H]3C(CO)=CC[C@H]4[C@@H](CC[C@@]4(C)O)C3(C)C)[C@@]2(C)CC[C@H]1O ZINC000028647090 JJ Annotated Anodyne CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(Br)cc3)CC1=O)C2 ZINC000028649143 JJ Annotated Anodyne CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3C(F)(F)F)CC1=O)C2 ZINC000028649151 JJ Annotated Anodyne NCc1ncc(C2=CC[C@@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650295 JJ Annotated Anodyne NCc1ncc(C2=CC[C@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650299 JJ Annotated Anodyne CO/N=C(\F)c1cc(/C(=C\CCCC(=O)OC)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000028656375 JJ Annotated Mild C/C(=C\CC/C(C)=C/Cn1cnc2c1c(=O)n(C)c(=O)n2C)CC/C=C(\C)CC(=O)CC(C)C ZINC000028701643 JJ Annotated Anodyne C/C(=C\Cn1cnc2c1c(=O)n(C)c[n+]2C)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000028701650 JJ Annotated Mild CC(=O)Nc1nc2c(Oc3cc(N4CCN([C@H](C)c5ccccc5F)CC4)ncn3)cccc2s1 ZINC000028702005 JJ Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(N4CCN([C@@H](C)c5ccccc5F)CC4)ncn3)cccc2s1 ZINC000028702007 JJ Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(N4CCN([C@H](C)c5cccc(F)c5)CC4)ncn3)cccc2s1 ZINC000028702009 JJ Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(N4CCN([C@@H](C)c5cccc(F)c5)CC4)ncn3)cccc2s1 ZINC000028702011 JJ Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@@]21C ZINC000028703437 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3CC[C@@]21C ZINC000028703438 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3CC[C@@]21C ZINC000028703440 JJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@@H]2[C@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@@H]3CC[C@]12C ZINC000028703441 JJ Annotated Mild CN(C)CCCCOc1cc(F)c(-c2c(Cl)nc(N(C)C#N)nc2NCC(F)(F)F)c(F)c1 ZINC000028703527 JJ Annotated Anodyne C[C@H](Nc1nc(N(C)C#N)nc(Cl)c1-c1c(F)cc(OCCCN(C)C)cc1F)C(F)(F)F ZINC000028703529 JJ Annotated Anodyne CCCCN1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C1=O ZINC000028704470 JJ Annotated Anodyne N#Cc1c(O)nsc1Nc1cc(C(F)(F)F)cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000028707476 JJ Annotated Mild Clc1nc(Cl)c2ncn(Cc3ccccc3Cn3cnc4c(Cl)nc(Cl)nc43)c2n1 ZINC000028708025 JJ Annotated Anodyne Clc1nc(Cl)c2ncn(Cc3ccc(Cn4cnc5c(Cl)nc(Cl)nc54)cc3)c2n1 ZINC000028708046 JJ Annotated Anodyne COc1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(Br)cc4)cn23)cc1 ZINC000028708077 JJ Annotated Reactive O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(F)cc1 ZINC000028708086 JJ Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)Cc2csc3nc(-c4ccc(Br)cc4)cn23)cc1 ZINC000028708092 JJ Annotated Reactive COc1cccc(OC)c1/C=N/NC(=O)Cc1csc2nc(-c3ccc(Br)cc3)cn12 ZINC000028708096 JJ Annotated Reactive CCCCCN/C(O)=N/S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br ZINC000028710463 JJ Annotated Mild COC(=O)c1cc(C(=CCCc2nnc(C)o2)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000028711667 JJ Annotated Anodyne COc1c(C)cc(/C(=C/CCc2nnc(C)o2)c2ccc3oc(=O)n(C)c3c2)cc1C(=O)SC ZINC000028711702 JJ Annotated Anodyne O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(N/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028712208 JJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(C(=O)/C=C/c3ccc(F)cc3F)cc2)cc1 ZINC000028712222 JJ Annotated Mild CSc1ccc(/C=N/n2c(Cc3ccc(SC)cc3)nn(CN3CCOCC3)c2=S)cc1 ZINC000028712444 JJ Annotated Mild CSc1ccc(Cc2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(Cl)cc2)cc1 ZINC000028712447 JJ Annotated Mild CSc1ccc(/C=N/n2c(Cc3ccc(SC)cc3)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000028712451 JJ Annotated Mild Cc1cc(-c2ccc3c(c2)CCN(CCSc2nnc(-c4ccc(F)c(F)c4)n2C)CC3)n(C)n1 ZINC000028712505 JJ Annotated Anodyne Brc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(Br)cc4)n23)cc1 ZINC000028712775 JJ Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000028712952 JJ Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000028712953 JJ Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000028712954 JJ Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000028712955 JJ Annotated Anodyne O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000028713117 JJ Annotated Bother Cn1cnc(CN2CC[C@@H](c3ccccc3Br)[C@H]([N+](=O)[O-])[C@H]2c2ccccc2)c1 ZINC000028713119 JJ Annotated Bother Cn1cncc1CN1CC[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000028713120 JJ Annotated Bother COc1ccc(-n2c3cssc-3c(NC(=O)c3cc(O)c(C(C)C)c(O)c3)c2=O)c(OC)c1 ZINC000028714470 JJ Annotated Anodyne CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccc(Cl)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028755875 JJ Annotated Mild C/C(=N\OCCSc1nnnn1C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028759935 JJ Annotated Mild C1CCN(P2(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=NP(N3CC3)(N3CC3)=N2)C1 ZINC000028762309 JJ Annotated Anodyne C1CCN(P2(N3CCCC3)=N[P@](N3CCCC3)(N3CC3)=N[P@](N3CCCC3)(N3CC3)=N2)C1 ZINC000028762387 JJ Annotated Anodyne O=C(c1ccccc1)[C@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000028763469 JJ Annotated Anodyne O=C(c1ccccc1)[C@@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000028763471 JJ Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000028763716 JJ Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCNS(=O)(=O)c2cccs2)c1 ZINC000028763824 JJ Annotated Mild C1CCN(P2(N3CCCC3)=N[P@@](N3CCCC3)(N3CC3)=N[P@](N3CCCC3)(N3CC3)=N2)C1 ZINC000028764014 JJ Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccsc2)c1 ZINC000028764154 JJ Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000028764587 JJ Annotated Mild CCOC(=O)Cc1c(C)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000028764797 JJ Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000028765280 JJ Annotated Mild CCN(CC(C)(C)COC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028765844 JJ Annotated Anodyne CCN(CC(C)(C)COC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028765846 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@H](N(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)C)C2 ZINC000028766633 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H](N(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)C)C2 ZINC000028766635 JJ Annotated Anodyne C[C@@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@@H](C)O)c3)[C@H]3[C@H](CCCCCO)SC[C@H]32)c1 ZINC000028768714 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@@H](C)O)c3)[C@H]3[C@H](CCCCCO)SC[C@H]32)c1 ZINC000028768716 JJ Annotated Anodyne C[C@@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@@H](C)O)c3)[C@H]3[C@H](CCCCCO)SC[C@@H]32)c1 ZINC000028768717 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@@H](C)O)c3)[C@H]3[C@H](CCCCCO)SC[C@@H]32)c1 ZINC000028768719 JJ Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2C)=NN1 ZINC000028771858 JJ Annotated Anodyne CC(C)=CC[C@@H](OC(=O)COc1ccc2ccccc2c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028772162 JJ Annotated Mild CC(C)=CC[C@H](OC(=O)COc1ccc2ccccc2c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028772165 JJ Annotated Mild CCn1c(-c2cccs2)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000028774415 JJ Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)NCCS5)C4)c2c1 ZINC000028817441 JJ Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)NCCS5)C4)c2c1 ZINC000028817442 JJ Annotated Anodyne COC(=O)c1cccc(C2(C#N)CCC(CNc3ncccc3NC(=O)CC(F)(F)F)CC2)c1 ZINC000028818997 JJ Annotated Mild O=c1n(Cc2nc3ccccc3n2CCCC(F)(F)F)c2cnccc2n1CC(F)(F)F ZINC000028821076 JJ Annotated Anodyne Cc1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821415 JJ Annotated Bother Clc1ccc(COc2ccc(Br)cc2CN2CCC(N3CCNCC3)CC2)cc1 ZINC000028822111 JJ Annotated Anodyne CNC(=O)[C@]1(CC(C)C)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822183 JJ Annotated Anodyne CCNC(=O)[C@]1(CC(C)C)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822184 JJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(N)=O)[C@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822188 JJ Annotated Anodyne COc1cc2c(cc1C(=O)N1CCC(O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 ZINC000028822284 JJ Annotated Anodyne COc1cc2c(cc1C(=O)N1CCOCC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 ZINC000028822288 JJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](CO)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822542 JJ Annotated Anodyne CC(C)C[C@@]1(CO)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822545 JJ Annotated Anodyne Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N=C2O)c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028822815 JJ Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(C2(CN3CCCC3)CC2)cc1 ZINC000028822899 JJ Annotated Anodyne COC(=O)c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000028822950 JJ Annotated Anodyne C=C[C@H]1C[N+]2(CC(=O)c3ccc(OC)cc3)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000028823573 JJ Annotated Mild C=C[C@H]1C[N+]2(CC(=O)c3ccc(OC)cc3)CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000028823574 JJ Annotated Mild CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(=O)O)cc2Cl)c(Cl)c1 ZINC000028823591 JJ Annotated Anodyne COC(=O)C(C[C@@]1(C)C[C@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000028823749 JJ Annotated Anodyne COC(=O)C(C[C@]1(C)C[C@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000028823750 JJ Annotated Anodyne CCCCNCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCC(C)C ZINC000028824462 JJ Annotated Anodyne COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000028824569 JJ Annotated Mild COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000028824570 JJ Annotated Mild CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000028825129 JJ Annotated Mild O=C(OCc1ccccc1)C(=Cc1cc(O)nnc1-c1ccccc1)C(=O)OCc1ccccc1 ZINC000028825814 JJ Annotated Anodyne COc1ccc(Cn2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3cc(Br)ccc32)cc1 ZINC000028826459 JJ Annotated Anodyne COc1ccc(Cn2cc(/C=C3/[C@H](O)C4CCN3CC4)c3cc(Br)ccc32)cc1 ZINC000028826460 JJ Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2Nc2nc4ccccc4nc2S3)s1 ZINC000028826987 JJ Annotated Anodyne CCCCN[C@@H](C)c1sc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1C ZINC000028827382 JJ Annotated Anodyne CCCCN[C@H](C)c1sc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1C ZINC000028827383 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NCC(C)C)s1 ZINC000028827387 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NCC(C)C)s1 ZINC000028827388 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)NCC(C)(C)C)s1 ZINC000028827390 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)NCC(C)(C)C)s1 ZINC000028827391 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)NCCC(C)C)s1 ZINC000028827392 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)NCCC(C)C)s1 ZINC000028827393 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NCCC(C)C)s1 ZINC000028827394 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NCCC(C)C)s1 ZINC000028827395 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)NCCC(C)(C)C)s1 ZINC000028827396 JJ Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)NCCC(C)(C)C)s1 ZINC000028827397 JJ Annotated Anodyne CCCCN(CC)Cc1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1 ZINC000028827407 JJ Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000028827431 JJ Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000028827434 JJ Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] ZINC000028827439 JJ Annotated Anodyne CC(C)N1CCC[C@@H](n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1 ZINC000028862384 JJ Annotated Anodyne CC(C)N1CCC[C@H](n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1 ZINC000028862386 JJ Annotated Anodyne O=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ncc(Sc2ccc(C(=O)O)cc2)s1 ZINC000028864102 JJ Annotated Anodyne O=C(/C=C/C(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000028865288 JJ Annotated Mild CC(=O)c1ccc(NC(=O)/C=C/C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1 ZINC000028865299 JJ Annotated Mild Cc1c(CNc2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]c(=O)n1COCc1ccccc1 ZINC000028866866 JJ Annotated Anodyne Cc1c(CNc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]c(=O)n1COCc1ccccc1 ZINC000028866872 JJ Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc(N(C)C)cc2)OC1=O ZINC000028874050 JJ Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc3c(c2)OCO3)OC1=O ZINC000028874059 JJ Annotated Mild COC(=O)[C@H](CCC(=O)O)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878836 JJ Annotated Anodyne COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878842 JJ Annotated Anodyne CC(C)N1CCN([C@@H]2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CC1 ZINC000028880823 JJ Annotated Anodyne CC(C)N1CCN([C@H]2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CC1 ZINC000028880831 JJ Annotated Anodyne COc1cc(CNC(=S)N[C@@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)ccc1O ZINC000028881697 JJ Annotated Anodyne COc1cc(CNC(=S)N[C@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)ccc1O ZINC000028881702 JJ Annotated Anodyne CCOC(=O)CCc1cn(C[C@@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)c2ccccc12 ZINC000028894965 JJ Annotated Anodyne COCC(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1 ZINC000028896768 JJ Annotated Mild COCCOCC(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1 ZINC000028896797 JJ Annotated Mild Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)c(Br)s1 ZINC000028897047 JJ Annotated Anodyne CCCCC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897131 JJ Annotated Anodyne O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC(=O)C6CCCC6)n5)cc4c23)CCC1 ZINC000028897153 JJ Annotated Anodyne CC(C)(C)S(=O)(=O)Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897286 JJ Annotated Anodyne CC(C)(C)OC(=O)Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897310 JJ Annotated Anodyne CC(C)(C)C(=O)OCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897352 JJ Annotated Anodyne CSc1ccc(-c2c([C@@H]3CCC(F)(F)C[C@@H]3C(=O)NCC#N)nnn2Cc2ccccc2)cc1 ZINC000028898032 JJ Annotated Mild CSc1ccc(-c2c([C@H]3CCC(F)(F)C[C@@H]3C(=O)NCC#N)nnn2Cc2ccccc2)cc1 ZINC000028898038 JJ Annotated Mild CSc1ccc(-c2c([C@H]3CCC(F)(F)C[C@H]3C(=O)NCC#N)nnn2Cc2ccccc2)cc1 ZINC000028898042 JJ Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4csc(-c5ccccc5)n4)n[nH]c2-3)C(=O)O1 ZINC000028949238 JJ Annotated Anodyne C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ncco3)c2)COC1=O ZINC000028950043 JJ Annotated Anodyne CC[C@@H](C)[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)c(-c3nc(CC(C)C)co3)nn2)CCN1C ZINC000028953888 JJ Annotated Anodyne CC[C@H](C)[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)c(-c3nc(CC(C)C)co3)nn2)CCN1C ZINC000028953890 JJ Annotated Anodyne CC[C@@H](C)[C@H]1CN(C(=O)c2cc(Cc3ccccc3)c(-c3nc(CC(C)C)co3)nn2)CCN1C ZINC000028953892 JJ Annotated Anodyne CC[C@H](C)[C@H]1CN(C(=O)c2cc(Cc3ccccc3)c(-c3nc(CC(C)C)co3)nn2)CCN1C ZINC000028953894 JJ Annotated Anodyne COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954139 JJ Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957691 JJ Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957727 JJ Annotated Anodyne CN(CCOc1ccc(-c2ccc3c(c2)OCCO3)cc1-c1ccccc1Cl)CC(=O)O ZINC000028958415 JJ Annotated Anodyne CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1 ZINC000028959091 JJ Annotated Anodyne COc1c(I)cc(-c2nc3ccccc3o2)cc1I ZINC000028964949 JJ Annotated Anodyne CC[C@]12C=C(C(=O)OCCOC(=O)c3ccccc3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000028965221 JJ Annotated Anodyne CC[C@@]12C=C(C(=O)OCCOC(=O)c3ccccc3)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42 ZINC000028965257 JJ Annotated Anodyne C/C=C(\C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000028972258 JJ Annotated Anodyne CC[C@@H](C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000028972263 JJ Annotated Anodyne CC[C@H](C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000028972265 JJ Annotated Anodyne CC[C@@H](C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976066 JJ Annotated Anodyne CC[C@H](C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976070 JJ Annotated Anodyne C[C@H](COC(=O)NC(C)(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976080 JJ Annotated Anodyne CCN(CC)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976082 JJ Annotated Anodyne C/C(=C(\CCOC(=O)c1ccccc1)SC(=O)c1ccccc1)N(C=O)Cc1ccc(C)nc1N ZINC000028976193 JJ Annotated Anodyne CC(C)C(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977979 JJ Annotated Anodyne C[C@H](CCCN[C@@H]1CCCO1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978166 JJ Annotated Anodyne C[C@H](CCCN[C@H]1CCCO1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978171 JJ Annotated Anodyne C[C@H](CCCn1cccn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978252 JJ Annotated Anodyne C[C@H](CCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978266 JJ Annotated Anodyne O=S(=O)(c1c(-c2ncc(-c3ccccc3)[nH]2)[nH]c2ccc(Br)cc12)N1CCCC1 ZINC000029039020 JJ Annotated Anodyne COc1ccc(-c2ccc(-c3ccc(Oc4ccc(C(C)=O)cc4)cc3)n2CC(=O)N=C(N)N)cc1 ZINC000029040006 JJ Annotated Mild CS(=O)(=O)/N=C(\O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(Br)cc12 ZINC000029041408 JJ Annotated Mild N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCC/C(O)=N/S(=O)(=O)C(F)(F)F)c2c1 ZINC000029041426 JJ Annotated Mild N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCN/C(O)=N/S(=O)(=O)c3ccccc3Cl)c2c1 ZINC000029041492 JJ Annotated Mild C[C@@](C#N)(COc1ccc(C#N)cc1C(F)(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029043737 JJ Annotated Mild C[C@](C#N)(COc1ccc(C#N)cc1C(F)(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029043740 JJ Annotated Mild C[C@@](C#N)(COc1cc(F)c(F)cc1Br)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029043895 JJ Annotated Mild C[C@](C#N)(COc1cc(F)c(F)cc1Br)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029043898 JJ Annotated Mild C[C@@](C#N)(COc1cc(F)ccc1Br)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029044030 JJ Annotated Mild C[C@](C#N)(COc1cc(F)ccc1Br)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029044032 JJ Annotated Mild C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000029044061 JJ Annotated Clean C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2cccnc2)C1 ZINC000029044068 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2ccccn2)C1 ZINC000029044232 JJ Annotated Anodyne CCCCCCC(=O)N(CC(=O)O)C[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000029044527 JJ Annotated Anodyne CCCCCCC(=O)N(CC(=O)O)C[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000029044531 JJ Annotated Anodyne O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 ZINC000029045304 JJ Annotated Anodyne O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 ZINC000029045307 JJ Annotated Anodyne C[C@@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029046066 JJ Annotated Mild C[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029046068 JJ Annotated Mild CS(=O)(=O)/N=C(\O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000029046957 JJ Annotated Mild CC(C)(C)CN(Cc1ccc(C#CCN2CCC(N3CCCCC3)CC2)cc1)c1ccnc(C#N)n1 ZINC000029051940 JJ Annotated Mild O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCOCC1 ZINC000029054265 JJ Annotated Anodyne O=C(c1cc2c(cc1Br)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1 ZINC000029054575 JJ Annotated Anodyne CCN1CCC(c2cc(C(=O)/C=C/c3ccc(N4CCN(C)CC4)cc3)c(OC)cc2OC)CC1 ZINC000029064262 JJ Annotated Mild CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(/C(O)=N/c2nnc(C3CCCCC3)s2)c1 ZINC000029089895 JJ Annotated Anodyne Cc1c(C(=O)CC2C(=O)CC(C)(C)CC2=O)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000029123349 JJ Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(CO)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C ZINC000029123687 JJ Annotated Anodyne O=C1c2sccc2N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)N1Cc1ccccc1 ZINC000029124092 JJ Annotated Anodyne CNc1nnc(Cn2c(-c3ccc(OC)c(OC)c3)nc3cc(Cl)c(Cl)cc32)s1 ZINC000029124464 JJ Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(I)cc3)n2C)cc1 ZINC000029124845 JJ Annotated Anodyne COc1cc2c(cc1OCCCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125334 JJ Annotated Bother COc1cc2c(cc1CC(C)(C)O)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125794 JJ Annotated Bother COc1cc2c(cc1CCC(=O)N(C)C)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125795 JJ Annotated Bother N#CC1(c2ccc(Cl)cc2)CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000029125883 JJ Annotated Mild CN(CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21)C(=O)c1ccccn1 ZINC000029126032 JJ Annotated Anodyne CC(C)N1CCCN(c2ncccc2CNc2nncn2-c2cccc(Cl)c2Cl)CC1 ZINC000029126328 JJ Annotated Anodyne C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2cc(Cl)cc(Cl)c2Cl)cc1OC ZINC000029126480 JJ Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2cc(Cl)cc(Cl)c2Cl)cc1OC ZINC000029126481 JJ Annotated Mild CS(=O)(=O)c1ccc(-c2noc([C@H](CC3CC3)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 ZINC000029126542 JJ Annotated Anodyne Cc1c(C(=O)N(C)CCc2ccccc2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000029126982 JJ Annotated Anodyne Cc1c(C(=O)N(C)CCc2ccccc2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 ZINC000029126983 JJ Annotated Anodyne Cc1c(C(=O)N(C)CCc2ccccc2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000029126984 JJ Annotated Anodyne Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12 ZINC000029128017 JJ Annotated Anodyne Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](c2ccccc2)C1 ZINC000029128888 JJ Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@H](c2ccccc2)C1 ZINC000029128889 JJ Annotated Mild CC(C)(C)OC(=O)N[C@@]12CC[C@@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029129031 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@H](Cc3ccccc3C1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029129032 JJ Annotated Anodyne COC(=O)Nc1ccc2c(c1)C[C@@H](CN1CC[C@@H](n3c(C)nc4cc(C)ccc43)[C@H](OC)C1)C2 ZINC000029129048 JJ Annotated Anodyne CO[C@@H]1CN(C[C@@H]2Cc3ccc(NC(=O)C(C)C)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21 ZINC000029129085 JJ Annotated Anodyne CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc21 ZINC000029129087 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2ccc(F)cc2)c(OC)c1 ZINC000029129392 JJ Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130805 JJ Annotated Anodyne Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Br)cc1)C2 ZINC000029131760 JJ Annotated Clean Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CN(C)c4ccccc4)cc32)n1 ZINC000029133893 JJ Annotated Anodyne Cc1cccc(/C=C/c2ccc3nc(NC4CCN(CCN)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134079 JJ Annotated Anodyne Cc1cccc(CNc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134338 JJ Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CNc4ccccc4)cc32)n1 ZINC000029134399 JJ Annotated Anodyne Cc1cccc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134406 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)/C=C/C(=O)O1 ZINC000029134782 JJ Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2cccc(C)c2)=NN1 ZINC000029203815 JJ Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2F)=NN1 ZINC000029203820 JJ Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccc(C)cc2)=NN1 ZINC000029204958 JJ Annotated Anodyne CCOC(=O)NCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029205240 JJ Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2)=NN1C ZINC000029205771 JJ Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@@H](O)CCl)c1=O ZINC000029209457 JJ Annotated Reactive CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@H](O)CCl)c1=O ZINC000029209461 JJ Annotated Reactive C=C(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C ZINC000029212394 JJ Annotated Mild CC(C)=CCN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C ZINC000029216104 JJ Annotated Mild CC(C)CN1C[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)OC[C@H]1C ZINC000029216214 JJ Annotated Mild C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000029240158 JJ Annotated Anodyne C[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000029240167 JJ Annotated Anodyne CCC(=O)O[C@H](c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1)C(C)C ZINC000029241720 JJ Annotated Anodyne CCC(=O)O[C@@H](c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1)C(C)C ZINC000029241728 JJ Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N/c3c(Cl)cc(Cl)cc3Cl)n(C)c(=O)n1CC2 ZINC000029253641 JJ Annotated Anodyne CCCCO[C@H]1CCCC[C@@H]1N(C(=O)NCCCOc1ccc2[nH]c(=O)ccc2c1)C1CC1 ZINC000029253658 JJ Annotated Anodyne COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1cc(OC)c(OCC(=O)O)c(OC)c1 ZINC000029321891 JJ Annotated Mild CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(NCCN4CCOC4=O)ccc1c32 ZINC000029324185 JJ Annotated Bother CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN3CCCCC3)c2)c(Cl)c1Cl ZINC000029333031 JJ Annotated Clean CCOC(=O)COc1ccc(C(=O)c2cc(Cl)c(O)c(CN(C)C)c2)c(Cl)c1Cl ZINC000029336684 JJ Annotated Clean CNC(=O)c1cccc2c(Nc3ccc(NC(=O)OC)cc3NC)c3cccc(OC)c3nc12 ZINC000029341030 JJ Annotated Clean CN(C)c1ccccc1CC(=O)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000029344422 JJ Annotated Anodyne CN(C)c1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)C(=O)CSC2(c1ccccc1)c1ccccc1 ZINC000029344425 JJ Annotated Anodyne CN(C)c1ccccc1CC(=O)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000029344429 JJ Annotated Anodyne CN(C)c1ccccc1CC(=O)N1C[C@@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000029344433 JJ Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN(CC)CC)c2)c(Cl)c1Cl ZINC000029348098 JJ Annotated Clean C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029390222 JJ Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C=C1/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1OC(C)=O ZINC000029390225 JJ Annotated Mild C=C1CCC[C@H]2[C@@](C)(C/C=C3/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O)[C@H](C)CC[C@@]12C ZINC000029390228 JJ Annotated Mild C=C1CCC[C@H]2[C@@](C)(C/C=C3/[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O)[C@@H](C)CC[C@@]12C ZINC000029390231 JJ Annotated Mild COC1=C[C@]23C[C@H](C[C@H](c4cc5c(cc4Br)OCO5)[C@H]2C)OC3=C(Br)C1=O ZINC000029390651 JJ Annotated Mild CC(C)(C)C(=O)c1ccc(C(=O)N(CC(=O)O)C(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000029390951 JJ Annotated Anodyne CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(Cl)cc3nc12 ZINC000029392536 JJ Annotated Clean CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H]2CCCC(=O)[C@@]2(C)CC[C@H]1C)OC(C)=O ZINC000029399435 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@]2(C)C(=O)CCC[C@H]21)OC(C)=O ZINC000029399438 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H]2CCCC(=O)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000029399441 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@@]2(C)C(=O)CCC[C@@H]12)OC(C)=O ZINC000029399443 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@H]1C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]12 ZINC000029399686 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@H]1C[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H]12 ZINC000029399688 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@H]1C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]12 ZINC000029399691 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@H]1C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H]12 ZINC000029399694 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H]2CCC[C@@]3(CO3)[C@@]2(C)CC[C@H]1C)OC(C)=O ZINC000029400972 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC[C@@]21CO1)OC(C)=O ZINC000029400975 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H]2CCC[C@@]3(CO3)[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000029400979 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@]2(C)[C@H]1CCC[C@@]21CO1)OC(C)=O ZINC000029400983 JJ Annotated Anodyne CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C ZINC000029409284 JJ Annotated Anodyne CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 ZINC000029409738 JJ Annotated Anodyne COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1 ZINC000029409744 JJ Annotated Anodyne C[C@H](c1ccccc1)N1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000029410703 JJ Annotated Anodyne C[C@@H](c1ccccc1)N1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000029410706 JJ Annotated Anodyne C[C@@H](C(=O)c1ccccc1)n1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O ZINC000029414253 JJ Annotated Anodyne C[C@H](C(=O)c1ccccc1)n1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O ZINC000029414255 JJ Annotated Anodyne CCCCCCN1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000029415041 JJ Annotated Anodyne CC(C)[C@@H](I)N1c2ccccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000029415834 JJ Annotated Reactive CC(C)[C@H](I)N1c2ccccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000029415837 JJ Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@]2(C)[C@@H](C)CC(=O)[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000029464897 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)Nc2ccc(OC)cc2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(C(=O)C[C@H]2C)[C@@H](C)[C@@H]1O ZINC000029464901 JJ Annotated Mild CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(NC(=O)OC)ccc12 ZINC000029468762 JJ Annotated Clean CC(C)OC(=O)O[C@@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470228 JJ Annotated Anodyne CC(C)OC(=O)O[C@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470232 JJ Annotated Anodyne NC(=O)N1C(=O)/C(=C(/OCOC(=O)c2ccccc2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029470318 JJ Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(OC)c2nc2c(OC)cccc12 ZINC000029472038 JJ Annotated Clean CNC(=O)c1ccc(Cl)c2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc12 ZINC000029472315 JJ Annotated Clean CN(C)CCN(C)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029483093 JJ Annotated Anodyne CO[C@@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCn1ccnc1 ZINC000029484102 JJ Annotated Anodyne CO[C@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCn1ccnc1 ZINC000029484106 JJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029486108 JJ Annotated Anodyne COc1cc2c(c(OC(=O)c3ccc(F)cc3)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029487186 JJ Annotated Anodyne COc1cc2c(c(OC(=O)c3ccccc3)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029489482 JJ Annotated Anodyne COc1cc(C)cc2c1[C@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncc(C3CC3)cc1CC2 ZINC000029546444 JJ Annotated Anodyne COc1cc(C)cc2c1[C@@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncc(C3CC3)cc1CC2 ZINC000029546446 JJ Annotated Anodyne COc1cc2c(c(OC(=O)c3ccccc3F)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029551874 JJ Annotated Anodyne Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1 ZINC000029553506 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc([C@@H](O)c3ccc(Cl)cc3Cl)cc2C(=O)OC(C)C)cc1 ZINC000029562150 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc([C@H](O)c3ccc(Cl)cc3Cl)cc2C(=O)OC(C)C)cc1 ZINC000029562154 JJ Annotated Anodyne CCOC(=O)c1cc([C@@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1ccc(C)cc1 ZINC000029563108 JJ Annotated Anodyne CCOC(=O)c1cc([C@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1ccc(C)cc1 ZINC000029563111 JJ Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C(c2ccc(I)cc2)=NN1c1ccccn1)OCO3 ZINC000029567266 JJ Annotated Anodyne O=C(O)c1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C2CC2)nc2ncccc12 ZINC000029570128 JJ Annotated Anodyne CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@H]12 ZINC000029752681 JJ Annotated Anodyne CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@H]12 ZINC000029752683 JJ Annotated Anodyne CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]12 ZINC000029752685 JJ Annotated Anodyne CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]12 ZINC000029752687 JJ Annotated Anodyne COc1cc2c(cc1OC)-c1cc(=Nc3c(Cl)cc(Cl)cc3Cl)n(C)c(=O)n1CC2 ZINC000299804444 JJ Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000299804919 JJ Annotated Anodyne C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299806164 JJ Annotated Mild CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@H]1c1ccccc1 ZINC000299806530 JJ Annotated Bother O=C(CN1CCC(O)CC1)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299806654 JJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299806655 JJ Annotated Anodyne [O-][N@@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 ZINC000299806842 JJ Annotated Bother C[C@@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]2C[C@@H]2NCC[C@@H]3c4ccccc4N1[C@@H]23 ZINC000299807828 JJ Annotated Anodyne C[C@@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]2C[C@@H]2NCC[C@H]3c4ccccc4N1[C@@H]23 ZINC000299807829 JJ Annotated Anodyne C[C@@H]1C2=CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]2C[C@@H]2NCC[C@H]3c4ccccc4N1[C@H]23 ZINC000299807830 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@@H](C(=O)OCc2cccc(F)c2)[C@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000299809121 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@H]2CC(=O)[C@@H](c3cc(O)ccc32)[C@H]1C(=O)OCc1cccc(F)c1 ZINC000299809122 JJ Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@@H](C(=O)OCc2cccc(F)c2)[C@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000299809123 JJ Annotated Anodyne CC(=O)c1ccc(C(=O)Nc2ccc(CCN3C[C@H]4COc5ccc(C#N)cc5[C@H]4C3)cc2)cc1 ZINC000299809703 JJ Annotated Mild CC(=O)c1ccc(C(=O)Nc2ccc(CCN3C[C@@H]4c5cc(C#N)ccc5OC[C@H]4C3)cc2)cc1 ZINC000299809704 JJ Annotated Mild C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]2C[C@@]3(C)C(=C12)C[C@H](O)[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C ZINC000299809812 JJ Annotated Anodyne C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]2C[C@@]3(C)C(=C12)C[C@H](O)[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]13C ZINC000299809813 JJ Annotated Anodyne C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]2C[C@@]3(C)C(=C12)C[C@H](O)[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]13C ZINC000299809814 JJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000299810756 JJ Annotated Anodyne C[C@H](CN1C[C@H]2CC[C@H]1C2)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810787 JJ Annotated Anodyne C[C@H](CN1C[C@H]2CC[C@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810788 JJ Annotated Anodyne C[C@@H](CN1C[C@H]2CC[C@H]1C2)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810789 JJ Annotated Anodyne C[C@@H](CN1C[C@H]2CC[C@H]1C2)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810790 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCCCC2)[C@@H]1c1ccccc1 ZINC000299811282 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)N2CCCCC2)[C@H]1c1ccccc1 ZINC000299811283 JJ Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)N2CCCCC2)[C@H]1c1ccccc1 ZINC000299811284 JJ Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@]12CN(C)CCC2=O ZINC000299811351 JJ Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@]12CN(C)CCC2=O ZINC000299811352 JJ Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@]12CN(C)CCC2=O ZINC000299811353 JJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000299811626 JJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000299811627 JJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000299811628 JJ Annotated Anodyne CCN1CCN(CCN2CC[C@]3(N4CCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000299812185 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@H]1c1cccc(Br)c1 ZINC000299813486 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@H]1c1cccc(Br)c1 ZINC000299813487 JJ Annotated Anodyne CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000299813702 JJ Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000299813703 JJ Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000299813704 JJ Annotated Mild CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000299813705 JJ Annotated Mild CN1CCN(CCN2CC[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000299814080 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccc(OC)cc1 ZINC000299814165 JJ Annotated Anodyne CC[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299815073 JJ Annotated Anodyne CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@]2(C#N)[C@@H](c2ccccc2)N1 ZINC000299815132 JJ Annotated Mild CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@]2(C#N)[C@H](c2ccccc2)N1 ZINC000299815135 JJ Annotated Mild CC1=C(C)[C@]2(C#N)C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]2(C#N)[C@H](c2ccccc2)N1 ZINC000299815136 JJ Annotated Mild Cc1ccc(O[C@@H]2C[C@@H](n3cnc4c(O)nc(Br)nc43)O[C@H]2Oc2ccc(C)cc2)cc1 ZINC000299815179 JJ Annotated Anodyne O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000299816925 JJ Annotated Mild O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000299816926 JJ Annotated Mild O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000299816927 JJ Annotated Mild O=C1C=CC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000299816928 JJ Annotated Mild O=c1[nH]c2ccc(/N=C/c3c(O)c(Br)cc(Br)c3Br)cc2[nH]1 ZINC000299818773 JJ Annotated Mild C[C@H](CC(=O)[C@@H](O)C(C)(C)O)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@@H]4C(=CC[C@H](O)C4(C)C)CC3=CC[C@]12C ZINC000299819160 JJ Annotated Anodyne C[C@H](CC(=O)[C@H](O)C(C)(C)O)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@@H]4C(=CC[C@H](O)C4(C)C)CC3=CC[C@]12C ZINC000299819163 JJ Annotated Anodyne C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(F)cc2F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299819829 JJ Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(F)cc2F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299819835 JJ Annotated Mild COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1NCc1ccccc1 ZINC000299819992 JJ Annotated Anodyne CC[C@]1(c2ccccc2OC)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299820812 JJ Annotated Mild CC[C@@]1(c2ccccc2OC)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299820818 JJ Annotated Mild COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC000299821436 JJ Annotated Bother O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(Cl)c1 ZINC000299821918 JJ Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(Cl)c1 ZINC000299821919 JJ Annotated Anodyne COC(=O)CCCCCNCc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000299822038 JJ Annotated Bother Cc1ccc2oc(=N)c(-n3cc(CN(C4=CC(=O)c5ccccc5C4=O)c4ccccc4)nn3)cc2c1 ZINC000299822562 JJ Annotated Mild COc1ccc(-c2cc3c4c(I)cccc4n(C(C)=O)c3nn2)cc1OC ZINC000299822603 JJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000299824001 JJ Annotated Anodyne CN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(C(F)(F)F)cc4)n(C)c23)CC1 ZINC000299824040 JJ Annotated Anodyne C=C1[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO ZINC000299824198 JJ Annotated Mild COC(CNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C)cc1C)OC ZINC000299824715 JJ Annotated Mild Cc1ccc(N(Cc2cn(-c3cc4ccccc4oc3=N)nn2)C2=CC(=O)c3ccccc3C2=O)cc1 ZINC000299824866 JJ Annotated Mild O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccc(Cl)c1Cl ZINC000299824970 JJ Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccc(Cl)c1Cl ZINC000299824971 JJ Annotated Anodyne C=CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000299825414 JJ Annotated Mild CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3[S@@]2=O)cc1 ZINC000299825567 JJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3[S@]2=O)cc1 ZINC000299825572 JJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2Cc3ccccc3S2(=O)=O)cc1 ZINC000299825638 JJ Annotated Anodyne N=c1oc2ccccc2cc1-n1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(F)cc2)nn1 ZINC000299825726 JJ Annotated Mild COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3cccnc3Cl)nn2)c1CC=C(C)C ZINC000299825783 JJ Annotated Anodyne COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CC(C)=O)c1c2c(cc(OC)c1-3)OCO2 ZINC000299826157 JJ Annotated Clean COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@H](CC(C)=O)c1c2c(cc(OC)c1-3)OCO2 ZINC000299826162 JJ Annotated Clean N#Cc1ccc(-c2ccc(-c3nccn3-c3ccc(N4CCNCC4)cc3-c3cncnc3)o2)cc1 ZINC000299826643 JJ Annotated Mild CC1=C(c2ccc3ccccc3c2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C1=O ZINC000299826717 JJ Annotated Anodyne COc1ccc(Br)c2c1OC1=C(C(=O)CC(C)(C)C1)[C@H]2n1nnc2ccccc21 ZINC000299827358 JJ Annotated Mild COc1ccc(Br)c2c1OC1=C(C(=O)CC(C)(C)C1)[C@@H]2n1nnc2ccccc21 ZINC000299827361 JJ Annotated Mild N#Cc1ccc(-c2ccc(-c3nccn3-c3ccc(N4CCNCC4)cc3Br)o2)cc1 ZINC000299827369 JJ Annotated Mild OCc1nn2c3c(cnc2c1-c1ccc(C(F)(F)F)cc1)CN[C@]3(Cc1cccc(F)c1)C1CC1 ZINC000299827401 JJ Annotated Anodyne COc1cc(-c2cc3c4c(Br)cccc4n(C(C)=O)c3nn2)cc(OC)c1OC ZINC000299827711 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2c3ccccc3c3nnc(SCc4ccccc4C#N)nc32)cc1 ZINC000299828021 JJ Annotated Mild Cc1ccc(-n2cc(CC(=O)O)c3ccc(Cc4ccccc4)nc32)c(Cn2c(C)nnc2C)c1 ZINC000299828308 JJ Annotated Anodyne COc1ccc(C(=O)N2CCC3(CC2)Nc2cc(OC(F)F)ccc2-n2cccc23)cc1N(C)C ZINC000299828344 JJ Annotated Anodyne COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(N4CCCC4)c3)CC1)c1cccn1-2 ZINC000299828391 JJ Annotated Anodyne CC(C)(C)c1cc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c(O)c(C(C)(C)C)c1 ZINC000299828716 JJ Annotated Mild COc1ccc(C(=O)O[C@H](CC=C(C)C)c2cc(OC)c3c(c2OC)/C(=N/O)C=C/C3=N\O)cc1 ZINC000299828946 JJ Annotated Mild COc1ccc(C(=O)O[C@@H](CC=C(C)C)c2cc(OC)c3c(c2OC)/C(=N/O)C=C/C3=N\O)cc1 ZINC000299828951 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCl ZINC000299829372 JJ Annotated Reactive COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299829490 JJ Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299829493 JJ Annotated Mild COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccc(CC#N)cc3)nn2)c1CC=C(C)C ZINC000299830688 JJ Annotated Mild COc1ccc2[nH]c(-c3c(O)nc4sc(Cl)cc4c3N[C@H]3CN4CCC3CC4)nc2c1 ZINC000299830826 JJ Annotated Anodyne COc1ccc2[nH]c(-c3c(O)nc4sc(Cl)cc4c3N[C@@H]3CN4CCC3CC4)nc2c1 ZINC000299830827 JJ Annotated Anodyne N#Cc1ccc2c(Oc3ccc(F)cc3OCCn3ccc(O)nc3=O)cc(Cl)cc2c1 ZINC000299831181 JJ Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)c2cccs2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299831848 JJ Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2cccs2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299831849 JJ Annotated Mild COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(N(C)C)c(Cl)c3)CC1)c1cccn1-2 ZINC000299832072 JJ Annotated Anodyne COC(=O)CCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000299832217 JJ Annotated Anodyne COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)Nc4ccccc4C(F)(F)F)c3)nn2)c1 ZINC000299833755 JJ Annotated Anodyne CC(C)(O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C(=O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000299833946 JJ Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 ZINC000299834450 JJ Annotated Anodyne COc1ccc(-c2c(-c3ccncc3)n3nc(-c4ccccc4)c(CN4CCOCC4)c3n2C)cc1 ZINC000299834453 JJ Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(Cl)c1Br ZINC000299834756 JJ Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(c4c[nH]c5cc(C(F)(F)F)ccc45)CC3)c2c1 ZINC000299834960 JJ Annotated Anodyne O=C(NCc1cnc2scc(-c3ccc(Br)cc3)n12)Nc1ccc2c(c1)OCO2 ZINC000299835084 JJ Annotated Anodyne C/C=C1\CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000299835199 JJ Annotated Anodyne CCc1oc(OC)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)OC(C)(C)C=C3)c(=O)c1C ZINC000299835213 JJ Annotated Anodyne COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccccc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299836390 JJ Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)c2ccccc2)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299836391 JJ Annotated Mild O=C1OCC2=C1[C@@H](c1ccc(O)c(Br)c1)c1c(c3cccnc3c3ncccc13)N2 ZINC000299836428 JJ Annotated Bother O=C1OCC2=C1[C@H](c1ccc(O)c(Br)c1)c1c(c3cccnc3c3ncccc13)N2 ZINC000299836429 JJ Annotated Bother O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cc(Cl)cc(Cl)c1 ZINC000299836977 JJ Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cc(Cl)cc(Cl)c1 ZINC000299836979 JJ Annotated Anodyne C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2c(F)cccc2F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299837019 JJ Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2c(F)cccc2F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299837021 JJ Annotated Mild O=C(O)/C(Cc1ccc(O)c([N+](=O)[O-])c1)=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000299837131 JJ Annotated Mild O=C(O)/C(Cc1ccc(O)c([N+](=O)[O-])c1)=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000299837132 JJ Annotated Mild CCCCCCn1c(=O)c2c3c(cnc2n(CCCCCC)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299837181 JJ Annotated Mild O=C1OCC2=C1[C@@H](c1cc(Br)ccc1O)c1c(c3cccnc3c3ncccc13)N2 ZINC000299837202 JJ Annotated Bother O=C1OCC2=C1[C@H](c1cc(Br)ccc1O)c1c(c3cccnc3c3ncccc13)N2 ZINC000299837206 JJ Annotated Bother N#Cc1ccc2c(Oc3ccc(Cl)cc3OCCn3ccc(O)nc3=O)cc(F)cc2c1 ZINC000299837555 JJ Annotated Mild COc1ccc(-c2nc(C(F)(F)S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299838025 JJ Annotated Anodyne COc1cc(/C=C/c2nnc(NC(=O)c3ccc(F)cc3)s2)c(Br)c(OC)c1OC ZINC000299838210 JJ Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3NC(=O)CCC12OCCO2 ZINC000299839053 JJ Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](O)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]13 ZINC000299839237 JJ Annotated Anodyne COc1ccc(-c2nc(C3(S(=O)(=O)c4cccc(Cl)c4)CC3)nc3ccsc23)cn1 ZINC000299840176 JJ Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000299840481 JJ Annotated Anodyne CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@H]4CO4)CCC[C@]3(C)[C@H]2CC1 ZINC000299841356 JJ Annotated Bother CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]4CO4)CCC[C@]3(C)[C@H]2CC1 ZINC000299841357 JJ Annotated Bother CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C[C@@H]4CO4)CCC[C@]3(C)[C@H]2CC1 ZINC000299841358 JJ Annotated Bother CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C[C@H]4CO4)CCC[C@]3(C)[C@H]2CC1 ZINC000299841359 JJ Annotated Bother CN(C)CCC[N+](C)(C)CCCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 ZINC000299844668 JJ Annotated Bother C[C@H](NC(=O)c1nc(Br)c2cccnc2c1N[C@@H]1CC[C@@H](N)CC1)c1ccc(F)cc1 ZINC000299844890 JJ Annotated Anodyne COc1cccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000299844909 JJ Annotated Mild COc1cccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000299844910 JJ Annotated Mild CN1CCN([C@]23C[C@H](NCCCN4CCCC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000299845123 JJ Annotated Anodyne CN1CCN([C@@]23CCN(CCCN4CCCC4)[C@@H]([C@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000299845270 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCNCCN ZINC000299846652 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCNCCN ZINC000299846654 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCNCCN ZINC000299846656 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299846763 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299846764 JJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000299846765 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000299846770 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000299846771 JJ Annotated Mild CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCN(CCN)CCN ZINC000299846909 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCN(CCN)CCN ZINC000299846911 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCN(CCN)CCN ZINC000299846912 JJ Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N(C)C)CC1 ZINC000299847108 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000299847166 JJ Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccc(N)cc2)cc1 ZINC000299847492 JJ Annotated Reactive CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(C)cc3)N(C(C)=O)[C@H](c3ccc(C)cc3)[C@@H]2C)S1 ZINC000299847707 JJ Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(C)cc3)N(C(C)=O)[C@H](c3ccc(C)cc3)[C@H]2C)S1 ZINC000299847709 JJ Annotated Anodyne O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1)c1nnc(Nc2cc(F)c(F)cc2F)o1 ZINC000299847717 JJ Annotated Anodyne CNC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000299847872 JJ Annotated Anodyne N#Cc1ccc(O[C@@H]2CC[C@@H](NC(=O)CCSc3nc(O)c4ccccc4n3)CC2)cc1Cl ZINC000299847876 JJ Annotated Mild O=C(NC[C@@H]1CC[C@@H]2CCCC[C@H]2N1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000299848416 JJ Annotated Anodyne O=C(NC[C@@H]1CC[C@H]2CCCC[C@H]2N1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000299848419 JJ Annotated Anodyne O=C1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299848874 JJ Annotated Anodyne O=C1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299848876 JJ Annotated Anodyne F[C@H]1O[C@H]2O[C@H]1[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]2OCc1ccccc1 ZINC000299849099 JJ Annotated Anodyne F[C@H]1O[C@H]2O[C@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]2OCc1ccccc1 ZINC000299849100 JJ Annotated Anodyne F[C@H]1O[C@H]2O[C@H]1[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2OCc1ccccc1 ZINC000299849102 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849233 JJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849235 JJ Annotated Anodyne NC(=O)c1cc(N=Nc2c(N)[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl ZINC000299849922 JJ Annotated Clean COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(OC2Cc3ccccc3C2)c1 ZINC000299850572 JJ Annotated Bother Cc1ccc(C(=O)OCC2=CC[C@@H]([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)C=C2)c(C)c1 ZINC000299851175 JJ Annotated Anodyne Cc1ccc(C(=O)OCC2=CC[C@H]([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)C=C2)c(C)c1 ZINC000299851176 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3cc(Br)ccc32)cc1 ZINC000299851835 JJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3cc(Br)ccc32)c(C)c1 ZINC000299852089 JJ Annotated Anodyne CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc(N)c(OC2Cc3ccccc3C2)c1 ZINC000299852388 JJ Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]3[C@H]1OC(=O)CCC)C2(C)C ZINC000299852492 JJ Annotated Mild Nc1nccc(-c2cn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccc(Br)cc23)n1 ZINC000299852623 JJ Annotated Anodyne Nc1nccc(-c2cn(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccc(Br)cc23)n1 ZINC000299852694 JJ Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)C=C[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]2O)[C@@H]3C1 ZINC000299853476 JJ Annotated Anodyne CC(C)(O)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299853893 JJ Annotated Anodyne CC(C)(O)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299853894 JJ Annotated Anodyne CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\Cc1ccc(Cc2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000299855082 JJ Annotated Clean COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)NNc1ccccc1 ZINC000299856370 JJ Annotated Reactive O=C(O)COc1cccc2c1CC[C@H](Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 ZINC000299856574 JJ Annotated Anodyne O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 ZINC000299856576 JJ Annotated Anodyne Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](c3nc4ccccc4c4c3[nH]c3ccccc34)O2)c(O)nc1=O ZINC000299856627 JJ Annotated Clean C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(C(F)(F)F)cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299856841 JJ Annotated Mild O=C(NCCCCBr)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O ZINC000299857015 JJ Annotated Reactive Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C ZINC000299857207 JJ Annotated Anodyne Cc1cc2nc([C@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C ZINC000299857209 JJ Annotated Anodyne COc1cc2nc(/C=C/c3ccc(Cl)cc3Cl)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299857219 JJ Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3nc[nH]c3C)cc2c1NC(=O)c1ccc(OC)cc1 ZINC000299857451 JJ Annotated Anodyne CC1(C)[C@@H]2CC[C@H](CNc3nc(NCCc4c[nH]cn4)nc(NCc4cc(F)ccc4F)n3)[C@H]1C2 ZINC000299858831 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccc(Br)cc2)cc1 ZINC000299859264 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000299859265 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000299859266 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccc(Br)cc2)cc1 ZINC000299859267 JJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2C(F)(F)F)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299859593 JJ Annotated Mild COc1cc2nncc(-c3cnc(N4CCC(O)(c5ccc(Cl)nc5)CC4)c(C)c3)c2cc1OC ZINC000299859610 JJ Annotated Anodyne CN(C)CCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cc(Cl)cc(Cl)c3nc12 ZINC000299859611 JJ Annotated Bother CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)[C@@H](CC[C@]23C)C(C)(C)[C@H](O)C[C@H]4O)O1 ZINC000299859933 JJ Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000299860052 JJ Annotated Mild CC(=O)OCc1c(C2CCCCC2)oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1=O ZINC000299860346 JJ Annotated Anodyne COc1cc(COCc2cn(Cc3cc(-c4ccc(F)cc4)cnc3Cl)nn2)cc(OC)c1OC ZINC000299861136 JJ Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(N(CCCN(C)C)/C(C)=N/CCCN(C)C)c2n1 ZINC000299861581 JJ Annotated Mild CCN(CC)Cc1cccn1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 ZINC000299861923 JJ Annotated Anodyne COc1ccc2c(c1)/C(=C\C(=O)Nc1ccc3ncccc3c1)C(=O)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000299862132 JJ Annotated Bother O=C(/C=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccc2ncccc2c1 ZINC000299862272 JJ Annotated Bother COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccc(Br)s5)c(=O)n4n3)ccc2c1 ZINC000299862950 JJ Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccc(Br)s5)c(=O)n4n3)ccc2c1 ZINC000299862952 JJ Annotated Anodyne C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299862987 JJ Annotated Mild C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299862988 JJ Annotated Mild COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5cc(Br)cs5)c(=O)n4n3)ccc2c1 ZINC000299863307 JJ Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5cc(Br)cs5)c(=O)n4n3)ccc2c1 ZINC000299863308 JJ Annotated Anodyne COC(=O)NC12C[C@H]3C[C@@H](C1)CC(c1cc(O)c4c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]41)(C3)C2 ZINC000299864496 JJ Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)c(C(F)(F)F)n1 ZINC000299864665 JJ Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](OC(=O)c4ccccc4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O ZINC000299864754 JJ Annotated Anodyne CN(C)CCCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 ZINC000299864942 JJ Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299865111 JJ Annotated Mild O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000299866154 JJ Annotated Reactive C#CCSc1nc(Nc2ccc(OC)cc2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000299866217 JJ Annotated Mild NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000299866583 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2c(F)cccc2Cl)cc1 ZINC000299866584 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2c(F)cccc2Cl)cc1 ZINC000299866585 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000299866586 JJ Annotated Anodyne CC(C)[C@@H](C)c1[nH]c2ccc(-c3ccccc3)cc2c1CC(P(=O)(O)O)P(=O)(O)O ZINC000299866605 JJ Annotated Anodyne C=C[C@@]1(C)C[C@@H](OC(=O)c2nnc3ccccc3c2O)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1O ZINC000299866768 JJ Annotated Mild Cc1ccc2nc(/C=C/c3ccc(I)cc3)nc(NCCN(C)C)c2c1 ZINC000299866832 JJ Annotated Anodyne COC(Cn1c(SCC#N)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CC2)c1)OC ZINC000299867239 JJ Annotated Mild CN1Cc2cc(-n3cc(C#N)c4cc(Oc5ccc(NC(=O)[C@@H]6CCCN6)cc5)ccc43)ccc2C1=O ZINC000299868067 JJ Annotated Mild O=c1cc(CO)oc([C@H]2C=C(c3ccccc3)Oc3c(Cl)cc(Br)cc32)c1O ZINC000299869057 JJ Annotated Anodyne O=c1cc(CO)oc([C@@H]2C=C(c3ccccc3)Oc3c(Cl)cc(Br)cc32)c1O ZINC000299869058 JJ Annotated Anodyne COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 ZINC000299869163 JJ Annotated Anodyne Cc1c2c(n3c1CCN(Cc1ccoc1)c1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O ZINC000299869209 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2cccc(Br)c2)cc1 ZINC000299869678 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2cccc(Br)c2)cc1 ZINC000299869679 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2cccc(Br)c2)cc1 ZINC000299869680 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2cccc(Br)c2)cc1 ZINC000299869681 JJ Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3c[nH]cn3)cc2c1NC(=O)c1ccc(OC)cc1 ZINC000299869854 JJ Annotated Anodyne COc1ccc2c(c1OC)[C@@]13CC[N+](C)(C)[C@@H](C2)[C@]12C=C[C@@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 ZINC000299869939 JJ Annotated Bother COc1cc(OC)c2c(-c3ccc(Br)cc3)c(C(=O)C(=O)N3CCCCC3)[nH]c2c1 ZINC000299870068 JJ Annotated Anodyne C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)/C(O)=C/c2ccc(O)cc2O)c1O ZINC000299870541 JJ Annotated Mild O=C(NCCCCCCCCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O ZINC000299870580 JJ Annotated Clean COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)N1CCCCC1 ZINC000299870732 JJ Annotated Anodyne O=C1OCC2=C1[C@@]1(C(=O)N(Cc3ccccc3)c3ccc(Cl)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299870960 JJ Annotated Anodyne O=C1OCC2=C1[C@]1(C(=O)N(Cc3ccccc3)c3ccc(Cl)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299870961 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccccc2Br)cc1 ZINC000299871008 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccccc2Br)cc1 ZINC000299871009 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccccc2Br)cc1 ZINC000299871010 JJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccccc2Br)cc1 ZINC000299871011 JJ Annotated Anodyne O=c1c2ccccc2n(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)c2ccc(Br)cc12 ZINC000299871197 JJ Annotated Bother COc1ccc(C(=O)OCCCCC#Cc2ccc(C(=O)OC3CSSC3)cc2)cc1 ZINC000299871374 JJ Annotated Reactive COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5cn(C(C)=O)c6ccccc56)c(=O)n4n3)ccc2c1 ZINC000299871966 JJ Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5cn(C(C)=O)c6ccccc56)c(=O)n4n3)ccc2c1 ZINC000299871967 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000299872727 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000299872728 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299873646 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299873647 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299873648 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299873649 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299873786 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299873787 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299873788 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299873789 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299873901 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299873902 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299873903 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299874082 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299874083 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000299874097 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000299874098 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)cc1 ZINC000299874099 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)cc1 ZINC000299874100 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299874202 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299874203 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299874204 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000299874205 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299874261 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299874262 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299874263 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299874283 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299874284 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299874285 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299874791 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)C1 ZINC000299874955 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)C1 ZINC000299874956 JJ Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)cc1 ZINC000299875013 JJ Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000299875014 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299875186 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299875187 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000299875205 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299875206 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000299875207 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000299875208 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299875262 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299875299 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299875300 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299875301 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(Cl)cc1 ZINC000299875522 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(Cl)cc1 ZINC000299875523 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(Cl)cc1 ZINC000299875524 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(Cl)cc1 ZINC000299875525 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875683 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875684 JJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299875697 JJ Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299875698 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299875782 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299875783 JJ Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000299875814 JJ Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000299875815 JJ Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000299875816 JJ Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(C)=Nc3nnnn32)c1 ZINC000299875817 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299875882 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299875883 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299875916 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299875917 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299875918 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299875919 JJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000299875940 JJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000299875941 JJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000299875942 JJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000299875943 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000299876084 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299876085 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299876086 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299876190 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299876191 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299876192 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299876193 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876206 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876207 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299876288 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299876289 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299876504 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299876505 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299876506 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299876532 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299876533 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299876534 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299876567 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299876568 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299876569 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299876570 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000299876715 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000299876716 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000299876717 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000299876718 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876750 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299876751 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299876865 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299876972 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299876973 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299876974 JJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000299876975 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877175 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877176 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000299877251 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000299877252 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000299877253 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000299877254 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299877365 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299877366 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299877367 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299877470 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299877471 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299877472 JJ Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299877473 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299878061 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299878062 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299878063 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299878085 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000299878086 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299878087 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299878088 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299878092 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299878093 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299878094 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299878095 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299878163 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299878164 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299878165 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299878255 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299878256 JJ Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299878369 JJ Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299878370 JJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878398 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000299878504 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299878505 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299878506 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000299878547 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000299878548 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000299878549 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000299878550 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000299878878 JJ Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878894 JJ Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878895 JJ Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878896 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879108 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879109 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879596 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299879597 JJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000299879626 JJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000299879627 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299879640 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299879641 JJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000299879659 JJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000299879660 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880165 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880166 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299880187 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299880188 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299880204 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299880205 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299880398 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299880399 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299880400 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299880456 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299880457 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299880458 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299880459 JJ Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880563 JJ Annotated Mild C[C@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880564 JJ Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299880988 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299880989 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299880990 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299881014 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299881015 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299881016 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000299881107 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000299881108 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000299881109 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000299881110 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299881349 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299881350 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299881530 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299881531 JJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCC#N)ccc2c1 ZINC000299881746 JJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCC#N)ccc2c1 ZINC000299881747 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299881789 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299881790 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)ccc1OC ZINC000299882057 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)ccc1OC ZINC000299882058 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)ccc1OC ZINC000299882059 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)ccc1OC ZINC000299882060 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1OC ZINC000299882251 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1OC ZINC000299882252 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1OC ZINC000299882253 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1OC ZINC000299882254 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000299882329 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000299882330 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000299882331 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000299882332 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccccc1OC)N=C(C)/C(=C(/O)OCC)[C@@H]2c1cccnc1 ZINC000299882549 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccccc1OC)N=C(C)/C(=C(/O)OCC)[C@@H]2c1cccnc1 ZINC000299882550 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299882578 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299882579 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299882580 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299882581 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)C1 ZINC000299882587 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)C1 ZINC000299882588 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299882615 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299882616 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299882617 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299882707 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299882708 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299882709 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883429 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883430 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299883431 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883460 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883461 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000299883846 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000299883847 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1 ZINC000299883848 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1 ZINC000299883849 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299883856 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299883857 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299883858 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299883963 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299883964 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299883965 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299884284 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299884285 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299884509 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000299884547 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000299884548 JJ Annotated Anodyne O=C1[C@H]2[C@H]3c4ccccc4[C@H]([C@@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1)N1C=CC=C[C@@H]31 ZINC000299884703 JJ Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccc(OCc3ccccc3)cc1)[C@H]1c3ccccc3[C@H]2[C@@H]2C=CC=CN21 ZINC000299884704 JJ Annotated Anodyne O=C1[C@H]2[C@H]3c4ccccc4[C@H]([C@@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1)N1C=CC=C[C@H]31 ZINC000299884705 JJ Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccc(OCc3ccccc3)cc1)[C@H]1c3ccccc3[C@H]2[C@H]2C=CC=CN12 ZINC000299884706 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)cc(Cl)c1O ZINC000299885104 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)cc(Cl)c1O ZINC000299885105 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299885166 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299885167 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299885168 JJ Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885241 JJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885242 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299885285 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299885286 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000299885363 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000299885364 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299885391 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299885424 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299885425 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299885438 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299885439 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299885606 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299885607 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299885758 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299885759 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299885760 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299885776 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299885777 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299885847 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299885848 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299885849 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000299885880 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000299885881 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000299885882 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000299885883 JJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)c1cccc2ccccc12 ZINC000299885890 JJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)c1cccc2ccccc12 ZINC000299885891 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299886367 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299886368 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299886378 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000299886507 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000299886508 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000299886509 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cccnc2SC)C1 ZINC000299886510 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000299886517 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000299886535 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000299886536 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000299886537 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000299886538 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000299886560 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000299886561 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000299886562 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299886856 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299886857 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccccc1Br ZINC000299886953 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccccc1Br ZINC000299886954 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccccc1Br ZINC000299886955 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccccc1Br ZINC000299886956 JJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299887187 JJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887188 JJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299887189 JJ Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887190 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000299887219 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299887220 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299887221 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299887278 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299887279 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887355 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887356 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299887409 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299887410 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299887411 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299887638 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299887639 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299887640 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299887653 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299887654 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299887679 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299887680 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299887681 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299887682 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887781 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887782 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299888149 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299888150 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299888151 JJ Annotated Anodyne CCOC(=O)c1sc2nc(SCC(=O)C(C)(C)C)n(Cc3cccs3)c(=O)c2c1C ZINC000003018399 JJ Annotated Anodyne O=C(Nc1cccc(Cl)c1Cl)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F ZINC000003023945 JJ Annotated Anodyne CCOc1ccc(-n2c(=S)sc3c(=O)n(-c4ccc(F)cc4)c(SCC(=O)O)nc32)cc1 ZINC000003026786 JJ Annotated Anodyne C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OCC)c1 ZINC000003031738 JJ Annotated Anodyne Cc1nc2nc(SCc3cc(=O)n4c(C)cccc4n3)nn2c(C)c1Cc1ccccc1Cl ZINC000003038430 JJ Annotated Anodyne O=c1c2sccc2nc(SC/C(O)=N/C[C@H]2CCCO2)n1CCc1ccc(Cl)cc1 ZINC000003059331 JJ Annotated Anodyne O=c1c2sccc2nc(SC/C(O)=N/C[C@@H]2CCCO2)n1CCc1ccc(Cl)cc1 ZINC000003059333 JJ Annotated Anodyne O=C(c1c(Cl)nc2sccn12)N(C(=O)c1c(Cl)nc2sccn12)c1ccc(Cl)cn1 ZINC000003183435 JJ Annotated Anodyne C=CCN1C(c2ccccc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000003190416 JJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3ccc(C#N)cc3)nc2c1 ZINC000003228924 JJ Annotated Mild aggregator Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@@H]43)cc2)cc1 ZINC000003229806 JJ Annotated Anodyne CC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)c2cc(C#N)c(=O)n(C3CCCCC3)c2)c1 ZINC000003290936 JJ Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000003360135 JJ Annotated Anodyne COc1ccc(OC)c(/C=C/C(=O)O[C@]2(C(F)(F)F)C(=O)Nc3c2ccc2ccccc32)c1 ZINC000003378652 JJ Annotated Anodyne COc1ccc(OC)c(/C=C/C(=O)O[C@@]2(C(F)(F)F)C(=O)Nc3c2ccc2ccccc32)c1 ZINC000003378656 JJ Annotated Anodyne C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1F)C(=O)N1CCCc2ccccc21 ZINC000003415127 JJ Annotated Anodyne C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1F)C(=O)N1CCCc2ccccc21 ZINC000003415129 JJ Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000030729522 JJ Annotated Reactive in-vivo FC(F)(F)CCC[SiH]1O[SiH](CCCC(F)(F)F)O[SiH](CCCC(F)(F)F)O1 ZINC000306146554 JJ Annotated Reactive CCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 ZINC000031169851 JJ Annotated Anodyne in-vitro biogenic COC(=O)c1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@H]3[C@@]1(C)C[C@@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@@]13C)O2 ZINC000031494938 JJ Annotated Anodyne in-vitro CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]12C ZINC000031494948 JJ Annotated Anodyne in-man endogenous CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@@H]2O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000031494958 JJ Annotated Anodyne C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4cc(O)ccc43)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000031501108 JJ Annotated Mild C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5cc(N)ccc45)cc3)cc2)cc1 ZINC000031560580 JJ Annotated Anodyne CC1=C2C(c3ccccc3)(c3ccccc3)[C@@H]3C=C[C@]2(C=N3)N(C(=O)NC2CCCCC2)C1=O ZINC000031829905 JJ Annotated Anodyne CCOC(=O)NC(N(C)[C@@H](C(C)C)P(=O)(OCC)OCC)(C(F)(F)F)C(F)(F)F ZINC000031861860 JJ Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3cccs3)[C@@H](C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 ZINC000031870997 JJ Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3cccs3)[C@@H](C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 ZINC000031870999 JJ Annotated Anodyne O=C1C[C@@]2(CC[C@](O)(c3cccs3)[C@@H](C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 ZINC000031871001 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C[C@@]3(CC[C@@]2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000031871002 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C[C@@]3(CC[C@@]2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000031871004 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C[C@]3(CC[C@@]2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000031871006 JJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C[C@]3(CC[C@@]2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000031871008 JJ Annotated Anodyne N=c1c2c(ncn1N)Oc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000031895339 JJ Annotated Anodyne CC(=O)CCC[C@@H](C)[C@@H]1O[C@H]([C@@]2(C)CCC(=O)O2)C[C@H]2[C@H](CSc3ccccc3)C(=O)O[C@H]21 ZINC000031898223 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN2CN(c3ccc(OC)cc3)N=C(c3ccccc3)[C@@]12c1ccccc1 ZINC000031898571 JJ Annotated Anodyne O=C1[C@@H]2CN3CN(c4ccccc4)N=C(c4ccccc4)[C@@]3(c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000031898576 JJ Annotated Anodyne COc1ccc(C2=NN(C(=O)c3cccnc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000031905827 JJ Annotated Anodyne COC(=O)C1=CS[C@@]2(S1)C(C(=O)OC)=CSc1c2ss/c1=N\c1ccccc1 ZINC000031908751 JJ Annotated Anodyne COC(=O)C1=CS[C@]2(S1)C(C(=O)OC)=CSc1c2ss/c1=N\c1ccccc1 ZINC000031908755 JJ Annotated Anodyne O=C1Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2[C@@]12c1c(O)cc(O)cc1O[C@H]2c1cccc(O)c1 ZINC000031909202 JJ Annotated Anodyne c1ccc(Cc2nnc3sc(SSc4nn5c(Cc6ccccc6)nnc5s4)nn23)cc1 ZINC000031910371 JJ Annotated Reactive Cc1cn2c(nc1=O)O[C@@H]1[C@H](F)[C@H]2O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000031997705 JJ Annotated Anodyne C[C@H](O)c1cccc(CN2C(=O)N(Cc3cccc([C@H](C)O)c3)[C@H]3CS[C@@H](CCCCCO)[C@H]32)c1 ZINC000032017157 JJ Annotated Anodyne CCCCOC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000032139436 JJ Annotated Anodyne CCCC(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c1O ZINC000032257408 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C3=COCC3)[C@]12C ZINC000032296405 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000032296813 JJ Annotated Anodyne C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@H](O)[C@@H]1C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000032298436 JJ Annotated Anodyne CC(C)=CCc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)O3)cc1O ZINC000032303179 JJ Annotated Anodyne in-vitro O=C1Nc2ccc(Br)cc2/C1=N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000032690953 JJ Annotated Mild O=S(=O)(c1ccc(Br)s1)N1CCOc2ccc(COCc3ccccc3)cc2C1 ZINC000033170903 JJ Annotated Anodyne O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)o2)cc1Cl ZINC000033319784 JJ Annotated Clean CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(\C)NCc1ccccc1 ZINC000033359797 JJ Annotated Clean CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O ZINC000033436674 JJ Annotated Clean C=CCOC(=O)NCCSc1nc2ccc(NC(=O)c3coc4c3C(=O)CCC4)cc2s1 ZINC000033445033 JJ Annotated Mild O=C(C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000033480834 JJ Annotated Anodyne CC[C@H](C)C/N=C(\N)c1ccc(N2CCN(c3ccc(/C(N)=N/C[C@@H](C)CC)cc3)CC2)cc1 ZINC000033505443 JJ Annotated Mild CC(=O)c1ccc(-c2ccc(/C=N/Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)cc1 ZINC000033507965 JJ Annotated Mild N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccccc1F ZINC000033538357 JJ Annotated Reactive COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C2CC2)cc1 ZINC000033560968 JJ Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H](C)Cl)C2CC2)cc1 ZINC000033560969 JJ Annotated Reactive COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C2CC2)cc1 ZINC000033560970 JJ Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](C)Cl)C2CC2)cc1 ZINC000033560971 JJ Annotated Reactive CC(=O)N1CCN(C(=O)CCCSc2nnc(-c3ccc(C)cc3)n2-c2cccc(C)c2)C[C@H]1C ZINC000033572534 JJ Annotated Anodyne CC(=O)N1CCN(C(=O)CCCSc2nnc(-c3ccc(C)cc3)n2-c2cccc(C)c2)C[C@@H]1C ZINC000033572535 JJ Annotated Anodyne C=CCOC(=O)NCCSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2s1 ZINC000033637385 JJ Annotated Mild O[C@]12CCCCCC[C@@H]3CCN4CCC[C@](O)(CCCCCC[C@@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000033817780 JJ Annotated Anodyne O=C(O)c1cn(CCO)c2cc(C(F)(F)F)c(Cc3cccc(Cl)c3Cl)cc2c1=O ZINC000033818006 JJ Annotated Anodyne COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C ZINC000033818075 JJ Annotated Anodyne CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccc(N=[N+]=[N-])c(I)c3)cc12 ZINC000033820130 JJ Annotated Mild Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(O)cc(O)cc4[C@H]2[C@@H]3c2ccc(O)cc2O)cc1 ZINC000033831487 JJ Annotated Anodyne C=C(C)[C@@H](CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O ZINC000033832170 JJ Annotated Mild in-vitro C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O ZINC000033832171 JJ Annotated Mild in-vitro biogenic C[C@@H]1C[C@@H]([C@@H](O)C(C)(C)O)O[C@]12CC[C@@]1(C)C2=C[C@H](O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C ZINC000033832957 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000033833542 JJ Annotated Anodyne CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21 ZINC000033858309 JJ Annotated Anodyne in-man Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@@H]43)cc2)cc1 ZINC000033880699 JJ Annotated Anodyne Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@H]43)cc2)cc1 ZINC000033880700 JJ Annotated Anodyne C[C@@H]1CC[C@@]2(CC[C@@H](C)[C@H]([C@@H](C)C(=O)c3ccc[nH]3)O2)O[C@@H]1Cc1nc2c(C(=O)O)c(O)ccc2o1 ZINC000033885846 JJ Annotated Anodyne in-vitro C[C@@H]1CC[C@]2(CC[C@@H](C)[C@H]([C@@H](C)C(=O)c3ccc[nH]3)O2)O[C@@H]1Cc1nc2c(C(=O)O)c(O)ccc2o1 ZINC000033885847 JJ Annotated Anodyne in-vitro CC(=O)OC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000033902690 JJ Annotated Mild in-man endogenous O=C(c1ccco1)[C@H]1CC(c2ccc3ccccc3c2O)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033917223 JJ Annotated Clean CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)c2ccccc2C(=O)c2c(O)ccc(O)c21 ZINC000033917592 JJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NN/C=C3\C=Nc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000033926313 JJ Annotated Reactive Cc1ccc(-c2nnc(SCC(=O)NN/C=C3\C=Nc4ccccc43)n2-c2ccccc2)cc1 ZINC000033927076 JJ Annotated Reactive C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(/C=C/C4=NCCCN4)cc3)cc2)c2cc(N)ccc21 ZINC000033954748 JJ Annotated Anodyne C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000033954820 JJ Annotated Reactive in-vitro biogenic CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O ZINC000033956087 JJ Annotated Mild world CC#CC[C@@H](C)[C@@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O ZINC000033956089 JJ Annotated Mild world CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O ZINC000033956090 JJ Annotated Mild world C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/C=C/C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000033972767 JJ Annotated Anodyne CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@H]1CCN(C)C[C@@H]21 ZINC000033972864 JJ Annotated Anodyne investigational C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000033989971 JJ Annotated Anodyne O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 ZINC000034000148 JJ Annotated Anodyne CCOc1ccc(C(=O)Nc2cc(Br)c3c(c2)CNCC3)cc1Br ZINC000034013499 JJ Annotated Anodyne Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(Cl)ccc4n2)CC1)O3 ZINC000034013836 JJ Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000034025571 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCCC[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000034037011 JJ Annotated Anodyne Cc1cccc2c1CCC[C@@H]2C[C@@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F ZINC000034074058 JJ Annotated Anodyne Cc1cccc2c1CCC[C@H]2C[C@@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F ZINC000034074059 JJ Annotated Anodyne Cc1cccc2c1CCC[C@@H]2C[C@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F ZINC000034074061 JJ Annotated Anodyne Cc1cccc2c1CCC[C@H]2C[C@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F ZINC000034074062 JJ Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)c4ccc5c(c4=C(C)C[C@@]3(C)[C@@H]2C1)=CC(=O)C(O)=C5C ZINC000034074305 JJ Annotated Mild C[C@]1(COc2ccc(N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000034086765 JJ Annotated Clean COC(=O)CCC/C=C(/c1cc(C)c2onc(OC)c2c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000034086799 JJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)NC(=O)c2ccc(OC)cc2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000034108729 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)NC(=O)c2ccc(OC)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000034108733 JJ Annotated Mild CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C#N)cc1 ZINC000034131286 JJ Annotated Mild CCOC(=O)C1=CC[C@@H](c2ccccc2C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131789 JJ Annotated Anodyne CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 ZINC000034145400 JJ Annotated Anodyne CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 ZINC000034145402 JJ Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)N3CCCCCCC3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000034158238 JJ Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCCCCCC3)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000034158378 JJ Annotated Anodyne C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000034171938 JJ Annotated Anodyne C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000034171940 JJ Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3cccc3)c(C)[nH]c(=O)c2I)c1 ZINC000034208469 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000034208696 JJ Annotated Mild CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)O[C@H]1O ZINC000034208754 JJ Annotated Mild COC(=O)[C@@]1(C)C[C@H]2[C@]3(C)CC[C@@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C)[C@H](O)[C@@H]1O ZINC000034210843 JJ Annotated Mild in-vitro biogenic COC(=O)[C@@]1(C)C[C@@H]2[C@]3(C)CC[C@@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C)[C@H](O)[C@@H]1O ZINC000034210844 JJ Annotated Mild O=c1c2c(Cl)cccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1Cl ZINC000034244003 JJ Annotated Anodyne CC(C)N1CCC(C(=O)Nc2c(O)cc(Br)cc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000034250665 JJ Annotated Anodyne CCc1c(CCNC/C=C/C=C/CNCCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000034276415 JJ Annotated Anodyne Cc1cc(NC(=O)c2coc3cc(F)c(N4C[C@H](C)N(C)[C@H](C)C4)cc23)ccc1-n1ccnc1 ZINC000034356803 JJ Annotated Anodyne CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000034358631 JJ Annotated Anodyne CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000034358632 JJ Annotated Anodyne CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OC)cc2cn1 ZINC000034443772 JJ Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3OC(=O)/C=C/C#CC#CCCC ZINC000034473345 JJ Annotated Mild C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C ZINC000034473834 JJ Annotated Reactive CCCSc1ccc2nc(-c3ccc(OCCOC)c(OC)c3)c(Br)n2n1 ZINC000034509414 JJ Annotated Anodyne COc1cnc(C[C@@H](CO)C(=O)c2ncc(OC)c3c2[nH]c2ccccc23)c2[nH]c3ccccc3c12 ZINC000034537476 JJ Annotated Anodyne CO[C@]12C=C3C(=O)c4c(O)cc(O)c(CC=C(C)C)c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O ZINC000034548522 JJ Annotated Mild CC(=O)CC[C@@]1(C)C(=O)C=CC2=C1C=C[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C ZINC000034575392 JJ Annotated Mild O=C1C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@](Cl)(C1(Cl)[C@]53Cl)[C@]24Cl ZINC000034633708 JJ Annotated Anodyne in-man COC(=O)C(C[C@]1(C)C[C@H]2CC[C@@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC ZINC000034633866 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000034643377 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000034643378 JJ Annotated Anodyne Cc1c(O)c(O)cc2c1CC=C1[C@@]3(C)C(=O)C[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000034656017 JJ Annotated Clean in-vitro biogenic CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 ZINC000034662530 JJ Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000034662937 JJ Annotated Anodyne CCN1C(=O)/C(=C/c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S ZINC000034702102 JJ Annotated Clean O=[S@](Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000034800249 JJ Annotated Mild O=[S@@](Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000034800252 JJ Annotated Mild O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 ZINC000034800775 JJ Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 ZINC000034800788 JJ Annotated Anodyne C[N+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802170 JJ Annotated Bother C[N+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 ZINC000034802173 JJ Annotated Bother C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 ZINC000034802185 JJ Annotated Bother CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl ZINC000034802458 JJ Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl ZINC000034802459 JJ Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@@](=O)c2ccccc2)=N1 ZINC000034802468 JJ Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@@](=O)c2ccccc2)=N1 ZINC000034802469 JJ Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@](=O)c2ccccc2)=N1 ZINC000034802470 JJ Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCO)C(C[S@](=O)c2ccccc2)=N1 ZINC000034802471 JJ Annotated Reactive CCCCNC(=O)/C=C/COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000034802597 JJ Annotated Anodyne C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 ZINC000034804385 JJ Annotated Bother O=C(Nc1nnn[nH]1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12 ZINC000034820053 JJ Annotated Anodyne c1cc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)ccn1 ZINC000034820064 JJ Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034820128 JJ Annotated Anodyne CC(C)C[C@H](NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12)C(=O)O ZINC000034820226 JJ Annotated Anodyne O=C(CN(CC1CC1)C(=O)Nc1ccc(Cl)cc1)Nc1ccc(-n2ccccc2=O)cc1F ZINC000034826043 JJ Annotated Anodyne Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000034855246 JJ Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC/C(O)=N/c3ccc(C)cc3C)c21 ZINC000034858457 JJ Annotated Anodyne COCC/N=C(\O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000034859690 JJ Annotated Mild COCC/N=C(\O)[C@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000034859692 JJ Annotated Mild COCC/N=C(\O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000034859694 JJ Annotated Mild COCC/N=C(\O)[C@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000034859695 JJ Annotated Mild Cc1ccc(C)c(Cn2c(=O)n(CCC/C(O)=N/Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 ZINC000034860122 JJ Annotated Mild O=S(=O)(CCC/C(O)=N/c1cccc(O)c1)c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000034860271 JJ Annotated Mild Cc1ccc(C/N=C(\O)CCCn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 ZINC000034860395 JJ Annotated Mild CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)cc3Cl)c21 ZINC000034860910 JJ Annotated Anodyne Cc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)c(Cl)c1 ZINC000034861012 JJ Annotated Anodyne COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(C/C(O)=N/CCC3=CCCCC3)c2=O)c(OC)c1 ZINC000034861016 JJ Annotated Mild O=c1c2sccc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1CCc1ccccc1 ZINC000034861378 JJ Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc(SCc4cccnc4)c([N+](=O)[O-])c3)C[C@@H]2C)c1 ZINC000034861388 JJ Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc(SCc4cccnc4)c([N+](=O)[O-])c3)C[C@H]2C)c1 ZINC000034861390 JJ Annotated Anodyne CCOc1ccc(Cc2nc3cc(/N=C(/N)c4ccoc4)ccc3n2CCN(CC)CC)cc1 ZINC000034875295 JJ Annotated Mild Cc1cc(CNC[C@@H]2CCCN3CCCC[C@H]23)c(C)n1/N=c1\cc[nH]c2cc(Cl)ccc12 ZINC000034894471 JJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961583 JJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961585 JJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)Oc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961651 JJ Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)cc(F)c2)C1 ZINC000034984675 JJ Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2F)C1 ZINC000034984677 JJ Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cc(O)ccc2F)C1 ZINC000034984800 JJ Annotated Anodyne COC(=O)C[C@@H](c1cccc(Br)c1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034986301 JJ Annotated Anodyne COC(=O)C[C@@H](c1cccc(Br)c1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034986302 JJ Annotated Anodyne COC(=O)C[C@H](c1cccc(Br)c1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034986303 JJ Annotated Anodyne COC(=O)C[C@H](c1cccc(Br)c1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034986304 JJ Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F ZINC000034986528 JJ Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F ZINC000034986529 JJ Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4cccc(F)c4)c(C(N)=O)sc3c2)nn1)C(F)(F)F ZINC000034986631 JJ Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)NC)sc3c2)nn1)C(F)(F)F ZINC000034986981 JJ Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)NC)sc3c2)nn1)C(F)(F)F ZINC000034986982 JJ Annotated Anodyne COC(=O)C[C@@H](c1cccnc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1 ZINC000034987501 JJ Annotated Anodyne COC(=O)C[C@@H](c1cccnc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1 ZINC000034987502 JJ Annotated Anodyne COC(=O)C[C@H](c1cccnc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1 ZINC000034987503 JJ Annotated Anodyne COC(=O)C[C@H](c1cccnc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1 ZINC000034987504 JJ Annotated Anodyne COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)Cn3cccn3)o2)ccc1-c1cnco1 ZINC000003594918 JJ Annotated Anodyne O=C(Nc1cc(Cl)ccc1O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000003629377 JJ Annotated Anodyne O=C(NCc1cccc(Cl)c1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000003629833 JJ Annotated Anodyne Cc1cccc(CN2C(=O)CSc3ccc(/C(O)=N/C[C@H]4COc5ccccc5O4)cc32)c1 ZINC000003638479 JJ Annotated Mild Cc1cccc(CN2C(=O)CSc3ccc(/C(O)=N/C[C@@H]4COc5ccccc5O4)cc32)c1 ZINC000003638480 JJ Annotated Mild NC1CCN(Cc2ccc(Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)cc2)CC1 ZINC000003639560 JJ Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3ccc(CNC4CCNCC4)cc3)c2cc1Cl ZINC000003639576 JJ Annotated Anodyne NCCCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000003639578 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1cccc(Cl)c1 ZINC000003648364 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccs1)c1ccccc1Cl ZINC000003648375 JJ Annotated Anodyne CCc1ccccc1N(C(=O)c1cccs1)C(=S)OCCN1C(=O)c2ccccc2C1=O ZINC000003648377 JJ Annotated Anodyne COc1cc(C(=O)N(C(=S)OCCOc2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000003648421 JJ Annotated Anodyne COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCc1cccs1 ZINC000003672762 JJ Annotated Anodyne Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O ZINC000003785541 JJ Annotated Clean O=C(O)c1ccc2c(c1)[C@H](SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 ZINC000003790709 JJ Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccc(F)cc2F)N=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000003805434 JJ Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000003809194 JJ Annotated Mild COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)c(OCCCOc2ccccc2)c1 ZINC000003811198 JJ Annotated Anodyne COc1ccc2c(O)c([C@H](c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)C3CC3)c(=O)oc2c1 ZINC000003815645 JJ Annotated Anodyne O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000003819180 JJ Annotated Anodyne CCCC[C@H]1CN(c2cccc(C)c2C)CC(=O)N1Cc1cncn1Cc1ccc(C#N)cc1 ZINC000003822426 JJ Annotated Mild N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)cc3c(O)cccc32)c1 ZINC000003831881 JJ Annotated Anodyne Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl ZINC000003842358 JJ Annotated Anodyne O=c1ccc2c([nH]1)CCC[C@@H]2NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000003870441 JJ Annotated Anodyne in-vivo CCOP(=S)(OCC)S[C@@H]1OCCO[C@@H]1SP(=S)(OCC)OCC ZINC000003875496 JJ Annotated Reactive in-vitro CCOP(=S)(OCC)S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC ZINC000003875497 JJ Annotated Reactive in-vitro CCOP(=S)(OCC)S[C@H]1OCCO[C@@H]1SP(=S)(OCC)OCC ZINC000003875498 JJ Annotated Reactive in-vitro CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC)O1 ZINC000003916254 JJ Annotated Mild O=C(O)C/C(C(=O)O)=C(/CCCCCCCCCCCCCCCCOS(=O)(=O)O)C(=O)O ZINC000003918476 JJ Annotated Anodyne O=P(O)(O)OC[N+]1(C/C=C/c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000003923542 JJ Annotated Bother C=C(C)[C@@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(\C)CC[C@H]12)OC(C)=O ZINC000003928252 JJ Annotated Mild CC(=O)O[C@@H]1O[C@@H](C2=CC(=O)O[C@H]2O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000003931537 JJ Annotated Anodyne in-vivo COc1cc2c(cc1OCCCOc1cc(-c3ccc(F)cc3)nc(C)n1)N=C[C@@H]1CCCN1C2=O ZINC000003933607 JJ Annotated Anodyne N#Cc1ccc2c(c1)[C@H]1CN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CO2 ZINC000003941217 JJ Annotated Mild in-vitro COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000003941441 JJ Annotated Bother CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2 ZINC000003948051 JJ Annotated Anodyne COc1ccc2nccc([C@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 ZINC000003948850 JJ Annotated Anodyne CCN1CC[C@@H]2[C@H](C1)c1cc(I)c(C)cc1[C@H]2c1ccc(C(=O)OC)cc1 ZINC000003952453 JJ Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)CC1 ZINC000003955108 JJ Annotated Anodyne CN(c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1)C1CCCCC1 ZINC000003955171 JJ Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955235 JJ Annotated Anodyne CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955236 JJ Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955237 JJ Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4)nc3n2)C1 ZINC000003955238 JJ Annotated Anodyne O=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003955864 JJ Annotated Anodyne CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003955979 JJ Annotated Anodyne O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003956315 JJ Annotated Anodyne Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(CSCc5ccccc5)nc4n3)C[C@@H]2C)c1 ZINC000003956633 JJ Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc2c(c1)OCO2 ZINC000003962009 JJ Annotated Anodyne COc1cc(OC)cc([C@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)c1 ZINC000003962012 JJ Annotated Anodyne COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)cc1 ZINC000003962734 JJ Annotated Anodyne COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1 ZINC000003963013 JJ Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000003965256 JJ Annotated Mild O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O ZINC000003974230 JJ Annotated Clean investigational O=C(c1ccccc1)[C@@H]1N[C@@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000003974232 JJ Annotated Anodyne C=C[C@@H]1C=C(C)[C@H]2[C@H]3[C@H]1C(=O)C1=C[C@](O)(Cc4ccc(cc4)O[C@@H]3[C@@H]3[C@@H](C)C[C@@H](C)C[C@@]23C)NC1=O ZINC000003974653 JJ Annotated Mild COc1c(O)cc2c(c1C(=O)O)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@@H]4[C@]3(C)CC[C@]12C ZINC000003974910 JJ Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000003975285 JJ Annotated Anodyne COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(OC(C)=O)c(Cl)c(C)c1C(=O)O2 ZINC000003978594 JJ Annotated Anodyne in-vitro CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 ZINC000003979294 JJ Annotated Anodyne CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1 ZINC000003979296 JJ Annotated Anodyne CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(C(=O)NCc4ccncc4)cc3CC[C@@H]2C1 ZINC000003985525 JJ Annotated Mild Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@H]3CCCc4c(Cl)cccc43)C(F)(F)F)cc12 ZINC000003986257 JJ Annotated Anodyne CC[C@@H](C)CNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NC[C@H](C)CC)cc3)CC2)cc1 ZINC000003986787 JJ Annotated Anodyne COCn1c(=O)n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 ZINC000003990523 JJ Annotated Anodyne COCc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1 ZINC000035002851 JJ Annotated Anodyne Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1cccc2cccnc12 ZINC000035002886 JJ Annotated Anodyne COc1ccc2c(Cc3cc(F)c(F)c(F)c3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014881 JJ Annotated Anodyne CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C[C@@H]1C(C)(C)O[C@]3(CC=C(C)C)C4=O)C2=O ZINC000035015913 JJ Annotated Mild c1ccc2/c(=N\CCCCCCC/N=c3\c4ccccc4nc4n3CCC4)n3c(nc2c1)CCC3 ZINC000035033568 JJ Annotated Anodyne CCOC(=O)C[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000035050005 JJ Annotated Anodyne CCOC(=O)C[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000035050006 JJ Annotated Anodyne CCOC(=O)[C@]1(O)C[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/CC(C)C)C1=O ZINC000035050042 JJ Annotated Mild COc1ccc([C@@H](O)CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000035064235 JJ Annotated Anodyne COc1ccc([C@@H](O)CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000035064241 JJ Annotated Anodyne CC(=O)Nc1ccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)cc1 ZINC000035079545 JJ Annotated Anodyne CC(=O)Nc1ccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)cc1 ZINC000035079547 JJ Annotated Anodyne CCN(CC)C/C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000035089419 JJ Annotated Anodyne CCOCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000035090923 JJ Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(CCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000035090925 JJ Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000035090937 JJ Annotated Anodyne O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)c(-n2cc[nH]c2=S)cc1O ZINC000035242431 JJ Annotated Clean CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c3c(cn(C)c2=O)[C@@]2(O)CCC(=O)C[C@H]2O3)CC[C@H]1C ZINC000035259358 JJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(N)=O)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000035259605 JJ Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](OS(=O)(=O)c5ccc(C)cc5)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000035269849 JJ Annotated Mild COc1cc(CCN(C)C)c2sc3c(O)c(OC)cc(CCN(C)C)c3ssc2c1O ZINC000035274614 JJ Annotated Bother CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(F)cc1 ZINC000035324704 JJ Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000035324980 JJ Annotated Mild C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@H](OC(C)=O)[C@H](O)[C@H]1O ZINC000035330176 JJ Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3cccs3)nc3cc(Cl)ccc23)CC1 ZINC000035580558 JJ Annotated Anodyne O=C1c2cccc3c(NC4CCNCC4)ccc(c23)C(=O)N1c1cccc(Br)c1 ZINC000035803288 JJ Annotated Anodyne COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCC[C@@H]2CCSS2)c(Cl)c1 ZINC000035833583 JJ Annotated Reactive COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCC[C@H]2CCSS2)c(Cl)c1 ZINC000035833585 JJ Annotated Reactive CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)c(C(=O)N2CCS(=O)(=O)CC2)s1 ZINC000035834808 JJ Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2)C1 ZINC000035873345 JJ Annotated Anodyne CC1=C2CC[C@]3(C)[C@H](CC=C4[C@H]5[C@@](C(=O)O)(CC[C@]43C)[C@@H](O)C[C@@H](C)[C@@]5(C)O)[C@@]2(C)C=C(O)C1=O ZINC000035880709 JJ Annotated Mild CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 ZINC000035921529 JJ Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 ZINC000035922339 JJ Annotated Anodyne COC[C@H](C)Nc1nccc(N(C(=O)NCc2ccccc2Cl)c2ccc(OC)cc2)n1 ZINC000035934943 JJ Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000035936392 JJ Annotated Bother COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)[nH]c2c(OC)c1OC ZINC000035936441 JJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)[nH]c2c(OC)c1OC ZINC000035936443 JJ Annotated Reactive CC1(C)[C@H](O)CC[C@]2(C)[C@@H](CC[C@H]3[C@@H](O)CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@H](O)CC[C@@H]12 ZINC000035971781 JJ Annotated Anodyne COCC[C@@H](C(=O)O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000035974273 JJ Annotated Anodyne COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000035974559 JJ Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 ZINC000035974657 JJ Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc(OC)cc2)OC1=O ZINC000035984791 JJ Annotated Mild COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000035998493 JJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1O ZINC000036007541 JJ Annotated Anodyne CN(CC(=O)N(C)C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000036126705 JJ Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000036140310 JJ Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000036140314 JJ Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCCC5)C4)C3)s2)cc1 ZINC000036151876 JJ Annotated Anodyne COC(=O)c1c(F)cccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)c(F)c1 ZINC000036161464 JJ Annotated Mild CC(C)C(=O)N(Cc1ccc(C#N)cc1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC000036184785 JJ Annotated Mild CCN(CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(O)ccc3C)ncn2)cc1 ZINC000036187624 JJ Annotated Anodyne CCN(CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(OC)ccc3C)ncn2)cc1 ZINC000036187643 JJ Annotated Anodyne CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 ZINC000036190320 JJ Annotated Bother COc1cc(-c2ccc(N)cc2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1 ZINC000036241905 JJ Annotated Anodyne CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242258 JJ Annotated Bother CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242262 JJ Annotated Bother CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242264 JJ Annotated Bother CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 ZINC000036242267 JJ Annotated Bother COc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242352 JJ Annotated Anodyne COc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242359 JJ Annotated Anodyne CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242365 JJ Annotated Bother CC(=O)c1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242368 JJ Annotated Bother CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242374 JJ Annotated Bother CC(=O)c1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242377 JJ Annotated Bother O=c1c2ccccc2c(-c2cccnc2)nn1-c1cc(-c2c(CO)c(CO)cc3ccccc23)ccn1 ZINC000036242781 JJ Annotated Anodyne O=C(c1ccc(F)cc1)c1cc2n(c1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O ZINC000036270594 JJ Annotated Anodyne CC(C)C[C@H](N)C(=O)N1C[C@H](C[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000036310734 JJ Annotated Anodyne CC(C)C[C@@H](N)C(=O)N1C[C@H](C[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000036310737 JJ Annotated Anodyne CC(C)C[C@H](N)C(=O)N1C[C@@H](C[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000036310739 JJ Annotated Anodyne CC(C)C[C@@H](N)C(=O)N1C[C@@H](C[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c2ccccc21 ZINC000036310741 JJ Annotated Anodyne C[C@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(C#N)c1 ZINC000036330405 JJ Annotated Mild C[C@@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(C#N)c1 ZINC000036330406 JJ Annotated Mild CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(OC)cc(OC)cc2OC)n1 ZINC000036331116 JJ Annotated Mild CN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1 ZINC000036351522 JJ Annotated Anodyne CC(=O)OC/C=C(\C)CC/C=C(\C)[C@@H](C/C=C(\CC/C=C(\C)COC(C)=O)C(=O)O)OC(C)=O ZINC000036375150 JJ Annotated Anodyne CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](C/C=C(\CC/C=C(\C)COC(C)=O)C(=O)O)OC(C)=O ZINC000036375152 JJ Annotated Anodyne O=C(N1CCCCC1)[C@@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375629 JJ Annotated Anodyne CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375748 JJ Annotated Mild C=CC[C@@]1(C(=O)NCc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375802 JJ Annotated Mild CN(C)C(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375815 JJ Annotated Mild C=CC[C@]1(C(=O)NCc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375928 JJ Annotated Mild C=CC[C@]12N=C(c3ccc(OCCCO)cc3)O[C@H]1c1ccccc1CN(Cc1ccccc1)C2=O ZINC000036375934 JJ Annotated Mild C=CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(Cc1ccccc1)C2=O ZINC000036376031 JJ Annotated Mild O=C(N1CCCCC1)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036376046 JJ Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccc(CO)cc1 ZINC000036376231 JJ Annotated Anodyne O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(CO)cc1 ZINC000036376445 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000036378252 JJ Annotated Anodyne CN1[C@@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000036378253 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000036378266 JJ Annotated Anodyne CN1[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000036378270 JJ Annotated Anodyne C=CC/N=C1\N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000036379154 JJ Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CC2CC2)N[C@H]1c1ccc(Br)cc1 ZINC000036379155 JJ Annotated Mild CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@](c3ccc(OC)cc3)(Cc3cc(OC)c(OC)cc31)O2 ZINC000036379176 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000036379177 JJ Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@](c3ccsc3)(Cc3cc(OC)c(OC)cc31)O2 ZINC000036379178 JJ Annotated Anodyne COc1ccc([C@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(c4ccc(OC)cc4oc2=O)O3)cc1 ZINC000036379228 JJ Annotated Mild COc1ccc([C@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(cc(C)n(-c4ccccc4)c2=O)O3)cc1 ZINC000036379229 JJ Annotated Mild COc1ccc([C@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000036379246 JJ Annotated Mild CC(=O)N1CCN(c2ccc(NCc3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 ZINC000036380260 JJ Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)N/C1=N\Cc1ccc(OC)cc1 ZINC000036381595 JJ Annotated Mild COC(=O)c1ccc(CN2C(=O)[C@]3(OCCC=C[C@H]3C)c3c(Br)cccc32)cc1 ZINC000036381598 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=C[C@@H](C)O3)c3c(Br)cccc32)cc1 ZINC000036381599 JJ Annotated Anodyne CCCCCCc1cc2cc(OC)c(OC)cc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC)n12 ZINC000036381616 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000036381638 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000036381640 JJ Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000036381650 JJ Annotated Anodyne CCN(CC)CCCNC1=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000036381698 JJ Annotated Anodyne CCN1C(N(C)CCc2ccc(Br)cc2)=N[C@@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000036381718 JJ Annotated Anodyne CC(C)=CC[C@@]12C[C@H]3[C@@H](O)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000036381746 JJ Annotated Anodyne C#CCN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000036381959 JJ Annotated Mild CC(C)C[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382390 JJ Annotated Anodyne CC(C)C[C@@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382391 JJ Annotated Anodyne CC(C)C[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000036382402 JJ Annotated Anodyne CC(C)C[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000036382403 JJ Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCc5ccccc5C4)c32)cc1 ZINC000036382406 JJ Annotated Anodyne COc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCc5ccccc5C4)c32)cc1 ZINC000036382407 JJ Annotated Anodyne O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1N/C3=N\C1CCCCC1 ZINC000036382956 JJ Annotated Mild C=CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000036383140 JJ Annotated Mild O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1NC3=NCc1ccccc1 ZINC000036383154 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000036383634 JJ Annotated Anodyne Cc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccc(Br)c2)on1 ZINC000036384194 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000036384228 JJ Annotated Anodyne CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(F)cc1OCc1ccccc1)C2 ZINC000036384249 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036384264 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036384284 JJ Annotated Anodyne COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036384289 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000036384333 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000036384356 JJ Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386533 JJ Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(F)c(F)cc3C(=O)N12 ZINC000036387253 JJ Annotated Anodyne COc1ccc2c(c1)C(=O)N1[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000036387258 JJ Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036387300 JJ Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387305 JJ Annotated Anodyne COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387306 JJ Annotated Anodyne COc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(C)cc3C(=O)N12 ZINC000036387363 JJ Annotated Anodyne O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(/C=C/c3ccccc3)cc1S2(=O)=O ZINC000036388428 JJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)Oc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388478 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036388490 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036388504 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036388509 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000036388530 JJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388561 JJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388572 JJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)C3CCCC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388582 JJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)C3CCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388586 JJ Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000036388591 JJ Annotated Mild COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000036388603 JJ Annotated Mild C[C@@]12C(=O)N(Cc3ccc(Cl)cc3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389042 JJ Annotated Anodyne C[C@@]12C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389048 JJ Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H]4c5cc(C)ccc5OC[C@@H]4[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000036389060 JJ Annotated Anodyne C[C@@]12C(=O)N(Cc3ccccc3)CC(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389063 JJ Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036389396 JJ Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036389407 JJ Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NNCc1ccccc1 ZINC000036389413 JJ Annotated Reactive Cc1ccc(CNC(=O)c2cccc3c2C(=O)c2ccc(N4CCC(C)CC4)cc2S3(=O)=O)cc1 ZINC000036389430 JJ Annotated Anodyne COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 ZINC000036410905 JJ Annotated Anodyne COCC1=C(C)C[C@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000036418951 JJ Annotated Mild CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C(OCCO)[C@H](O)C3)CCC[C@]12C ZINC000036478965 JJ Annotated Anodyne CCC(O)(CC)CS[C@@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(OCCO)[C@H](O)C3)CCC[C@]12C ZINC000036478966 JJ Annotated Anodyne CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)(O)[C@H](O)C3)CCC[C@]12C ZINC000036478973 JJ Annotated Anodyne CCC(O)(CC)CS[C@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(C)(O)[C@H](O)C3)CCC[C@]12C ZINC000036478974 JJ Annotated Anodyne Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNS(C)(=O)=O ZINC000036479711 JJ Annotated Anodyne Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(=O)CO ZINC000036480274 JJ Annotated Anodyne CCNC(=O)c1cc2c(-c3cc(OCCN(CC)CC)c(Cl)cc3Cl)nc(N)nc2s1 ZINC000037246111 JJ Annotated Anodyne CCN(CC)CCOc1cc(-c2nc(N)nc3sc(C(=O)NC4CC4)cc23)c(Cl)cc1Cl ZINC000037246116 JJ Annotated Anodyne CC1(C)N(O)c2ccc(COc3ccc(/C=N/NC(=S)Nc4ccccc4)cc3)cc2[N+]1=O ZINC000377407363 JJ Annotated Mild CC1(C)N(O)c2ccc(COc3ccccc3/C=N\NC(=S)Nc3ccccc3)cc2[N+]1=O ZINC000377466646 JJ Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCC(C)C)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377529179 JJ Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(C)c5ccccc45)cc3)cc2N)cc1 ZINC000377807260 JJ Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377813708 JJ Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCc5ccccc5)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377813724 JJ Annotated Anodyne Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(Br)cc21 ZINC000377814124 JJ Annotated Bother Cn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2ccccc21 ZINC000377817457 JJ Annotated Anodyne Cn1ccc(=Nc2ccc(C(=O)Nc3ccc(N=c4ccn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377820939 JJ Annotated Anodyne COc1ccc2cc3n(cc-2c1=NCCc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 ZINC000377841250 JJ Annotated Bother COc1ccc(CCN=c2c(OC)ccc3cc4n(cc2-3)CCc2cc3c(cc2-4)OCO3)cc1OC ZINC000377841269 JJ Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(C)c5c(N)cccc45)cc3)cc2)cc1 ZINC000377848914 JJ Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)cc4)cc3)cc2)c2ccc(N)cc21 ZINC000377848928 JJ Annotated Anodyne Cn1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2ccc(=N)cc1-2 ZINC000377848950 JJ Annotated Anodyne CC1(C)N(O)c2ccc(CN3CCN(/C(=N/Cc4ccccc4)Nc4ccccc4)CC3)cc2[N+]1=O ZINC000377853480 JJ Annotated Mild C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C\c1ccc2c(c1)[n+](=O)c(C)c(C)n2O ZINC000378063493 JJ Annotated Mild Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2cc(Br)ccc21 ZINC000378063494 JJ Annotated Bother COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2ccc(Br)cc12 ZINC000378063495 JJ Annotated Bother COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2cc(Br)ccc12 ZINC000378655030 JJ Annotated Bother COc1cccc([C@H]2c3c(ncn(CCCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142021 JJ Annotated Anodyne CC1(C)CCc2cc(C3=C(O)/C(=C/c4ccc(O)c(C[C@H]5OC5(C)C)c4)OC3=O)c(O)cc2O1 ZINC000038142084 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(CC(C)=C[C@@H](C)O3)c3c(Br)cccc32)cc1 ZINC000038142221 JJ Annotated Anodyne C#CCN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000038142353 JJ Annotated Mild CCCCCC/C=C/COc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 ZINC000038142616 JJ Annotated Mild CCCCCC/C=C/COc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 ZINC000038142618 JJ Annotated Mild CC[n+]1c(/C=c2\s/c(=C/C=C/Nc3ccccc3)c(=O)n2-c2ccccc2)sc2ccccc21 ZINC000038146319 JJ Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@@]1(O)c1cccc(Cl)c1)CC2 ZINC000038147513 JJ Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@]1(O)c1cccc(Cl)c1)CC2 ZINC000038147514 JJ Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1)CC2 ZINC000038147515 JJ Annotated Anodyne O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@]1(O)c1cccc(Cl)c1)CC2 ZINC000038147516 JJ Annotated Anodyne CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCNCC1 ZINC000038151128 JJ Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCNCC1 ZINC000038151129 JJ Annotated Mild CCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 ZINC000038152177 JJ Annotated Mild CCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C ZINC000038159193 JJ Annotated Mild Cc1cc(Br)c(OCc2ccc(C(=O)NN/C=C3/C=CC=N3)cc2)c(Br)c1 ZINC000038178085 JJ Annotated Reactive CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC(=O)[C@]12C ZINC000038232438 JJ Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]1O ZINC000038233361 JJ Annotated Mild Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038269765 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038269766 JJ Annotated Anodyne CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CN2CCCCC2)cn1 ZINC000038270222 JJ Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(C#N)c3ccccc23)s1 ZINC000038270259 JJ Annotated Mild CC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)O)C4)O1 ZINC000038281160 JJ Annotated Anodyne CCCc1cc2c(n1Cc1ccco1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000038310150 JJ Annotated Anodyne O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000038488520 JJ Annotated Clean CCn1ccc2c3c(ccc21)[C@@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=C(N)O3 ZINC000038658355 JJ Annotated Reactive CCn1ccc2c3c(ccc21)[C@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=C(N)O3 ZINC000038658358 JJ Annotated Reactive CC(=O)OCC[C@@]1(C)[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C/C(C)C ZINC000038658992 JJ Annotated Mild C/C=C(/C)C(=O)OC[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)OC[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000038659878 JJ Annotated Anodyne in-vitro biogenic CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)/C1=C\C=C\CCCC(=O)OC ZINC000038748704 JJ Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)C/C(C)=C\C(=O)O)C(=O)C2=CO1 ZINC000038748823 JJ Annotated Mild C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4Nc5cccc6c5[C@]42CCN([C@H]6[C@@H]2OC2(C)C)[C@H]13 ZINC000038749701 JJ Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12 ZINC000038749822 JJ Annotated Anodyne Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1 ZINC000038801660 JJ Annotated Anodyne in-vivo CCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3[C@H](NC(C)=O)[C@H]4O)ccc21 ZINC000038802414 JJ Annotated Anodyne COc1cc(C(=O)N2[C@@H](c3nccs3)[C@H](CO)C[C@@]2(CC(C)C)C(=O)O)ccc1C(C)(C)C ZINC000038802914 JJ Annotated Anodyne CC(C)(C)c1ccc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000038807615 JJ Annotated Reactive COC1=CC(=O)c2cc(Cc3ccc(O)c(OC)c3)c(C)c(-c3ccc(O)c(OC)c3)c2C1=O ZINC000038842568 JJ Annotated Mild COc1cc(C(=O)OCC(C)(C)CC2=C(O)c3ccccc3C(=O)C2=O)c(O)c2ccccc12 ZINC000038846901 JJ Annotated Mild in-vitro biogenic CCN(CC)C[C@@H](C)OC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C ZINC000038909104 JJ Annotated Anodyne CCN(CC)C[C@H](C)OC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C ZINC000038909105 JJ Annotated Anodyne COc1cc(C(=O)N2[C@@H](c3nccs3)[C@@H](CO)C[C@@]2(CC(C)C)C(=O)O)ccc1C(C)(C)C ZINC000038911238 JJ Annotated Anodyne COc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5c(c4)NC(=O)CS5)CC3)c2c1 ZINC000038911400 JJ Annotated Anodyne C[C@H](CC(=O)[C@@H]1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C ZINC000038943670 JJ Annotated Anodyne C[C@@H](/C=C1/C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000038969917 JJ Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCCC[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000038992754 JJ Annotated Anodyne C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(\C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000038993374 JJ Annotated Reactive in-vitro biogenic COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)C=O)[C@@]3(C)CC[C@H]21 ZINC000039036134 JJ Annotated Reactive CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C ZINC000039036685 JJ Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C(=O)C=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@@H](OC(=O)c3ccccc3)[C@]21C ZINC000039036719 JJ Annotated Mild O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]12CCCO2 ZINC000039071186 JJ Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@H](OC(=O)C=C(C)C)CO2 ZINC000039108458 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@H]2O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000039166160 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@@H]2O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000039166161 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@H]2O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000039166162 JJ Annotated Anodyne CO[C@@H](C)[C@H](/C=C/C=C/c1cccc(O)c1C(=O)Oc1ccccc1O)C(=O)/C(C)=C/[C@H]1O[C@@H]1C ZINC000039166643 JJ Annotated Mild O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@]12CCCO2 ZINC000039183748 JJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1O ZINC000039314279 JJ Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@H](OC(C)=O)[C@H]2C(C)=CCC(=O)[C@@]21C ZINC000039560197 JJ Annotated Anodyne CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C(OCCO)[C@H](O)C3)CCC[C@]12C ZINC000039714763 JJ Annotated Anodyne CCN1/C(=C\C=c2/s/c(=C\c3sc4ccccc4[n+]3CC)n(CC)c2=O)Sc2ccccc21 ZINC000039774319 JJ Annotated Anodyne O=C(N[C@H](C(=O)O)C1CCN(c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000039927906 JJ Annotated Anodyne O=C(N[C@@H](C(=O)O)C1CCN(c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000039927907 JJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOc1ccccc1)[C@@H]2c1ccc(C)o1 ZINC000004004976 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOc1ccccc1)[C@H]2c1ccc(C)o1 ZINC000004004977 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@@H]2c1ccc(C)o1 ZINC000004014244 JJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCc1ccc(OC)cc1)[C@H]2c1ccc(C)o1 ZINC000004014248 JJ Annotated Mild Oc1nc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2nc1Cc1ccc(F)cc1 ZINC000004036490 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036513 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036516 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036520 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036521 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036552 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036555 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036569 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004036572 JJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004036642 JJ Annotated Bother CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004036644 JJ Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004036739 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004036744 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004037907 JJ Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004037929 JJ Annotated Bother CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038204 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038212 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038222 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004038232 JJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038767 JJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038782 JJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038789 JJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004038798 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004039369 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004039371 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004039377 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004039382 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039814 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039820 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039833 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004039846 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004041461 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004041464 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004041467 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004041469 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004041642 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004041647 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041732 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041738 JJ Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041917 JJ Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041919 JJ Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041923 JJ Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041930 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042031 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042035 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042039 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042044 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042733 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042736 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042743 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042747 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004043176 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004043178 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004043181 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004043182 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000004043330 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000004043331 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043715 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043723 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043737 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043760 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044026 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044027 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044039 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044041 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044603 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044605 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044606 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004045084 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004045085 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004045087 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004045088 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004045111 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004045113 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004045115 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004045117 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045199 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045203 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045205 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045348 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045351 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045357 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045360 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045415 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045418 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045421 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045424 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045601 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045603 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045609 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045612 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)cc1 ZINC000004045979 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)cc1 ZINC000004045982 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)cc1 ZINC000004045987 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)cc1 ZINC000004045990 JJ Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000004048693 JJ Annotated Anodyne CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000004048694 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000004048699 JJ Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000004048700 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000004048701 JJ Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3)nc2n1)C1CCCCC1 ZINC000004048889 JJ Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000004048897 JJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049961 JJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049962 JJ Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004050315 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004050320 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004050766 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004050767 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004050768 JJ Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004050801 JJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004050805 JJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004050807 JJ Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004050810 JJ Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004051035 JJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004051038 JJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004051042 JJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004051046 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004051610 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004051611 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004051612 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004051613 JJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004051663 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004051666 JJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004051672 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004051675 JJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051739 JJ Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051742 JJ Annotated Bother O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051744 JJ Annotated Bother O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004051751 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000004051866 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000004051867 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000004051870 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004051902 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004051903 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004051906 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004052101 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004052103 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004052161 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004052164 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004052282 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004052283 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004052338 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004052340 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004052389 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004052391 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000004052782 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000004052787 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004052813 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004052814 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000004052820 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000004052821 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004052950 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004052953 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004052990 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004052992 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004053409 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004053411 JJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053503 JJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004053504 JJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004053505 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004053561 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004053564 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004053610 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004053612 JJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053831 JJ Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053832 JJ Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000004053868 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000004053869 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004053949 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004053951 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053987 JJ Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053989 JJ Annotated Bother COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004054106 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004054108 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054784 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054785 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004054788 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004054791 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055142 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055143 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055144 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055145 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055162 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055163 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055164 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055165 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055402 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055403 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055404 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055405 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055562 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055563 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055659 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055660 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055661 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055677 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055678 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055679 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055680 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055912 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055913 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055914 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055915 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056020 JJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056021 JJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056022 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004056044 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004056045 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004056046 JJ Annotated Anodyne Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn(C3CCCC3)c(=O)c21 ZINC000004056872 JJ Annotated Anodyne Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccccc4)CC3)cn(C3CCCC3)c(=O)c21 ZINC000004057231 JJ Annotated Anodyne aggregator CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)cc1 ZINC000004075470 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)cc1 ZINC000004075471 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OC)cc1 ZINC000004075482 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000004075483 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075609 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075610 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004075621 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004075622 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075637 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075638 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)ccc1OC ZINC000004075671 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)ccc1OC ZINC000004075672 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004075970 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004075971 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004076010 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004076013 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076059 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076063 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076066 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076068 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076138 JJ Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076153 JJ Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076161 JJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076165 JJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076169 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076173 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076176 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076180 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076212 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076220 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076233 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076248 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076262 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076273 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076279 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004076288 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076414 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076424 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076428 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004076445 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004076594 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004076603 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004076609 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004076613 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004077392 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004077401 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004077407 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077444 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077450 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077906 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077921 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)c1OC ZINC000004077982 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)c1OC ZINC000004078000 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)c1 ZINC000004078116 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)c1 ZINC000004078122 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000004078355 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000004078377 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004078893 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004078901 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004078919 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000004078924 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004078926 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000004078935 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2OC)c1 ZINC000004078955 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2OC)c1 ZINC000004078960 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004079124 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004079139 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004079156 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004079169 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079179 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079208 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079216 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079822 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079824 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079826 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079827 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079939 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079942 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079944 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079946 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079991 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079994 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079996 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079998 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080153 JJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080154 JJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080156 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080158 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080299 JJ Annotated Bother Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080301 JJ Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)c1OC ZINC000004080308 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)c1OC ZINC000004080314 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004080364 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004080366 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)c1 ZINC000004080426 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)c1 ZINC000004080432 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080435 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080436 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000004080437 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000004080438 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1N ZINC000004080456 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1N ZINC000004080457 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1N ZINC000004080458 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1N ZINC000004080460 JJ Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)c1 ZINC000004080472 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)c1 ZINC000004080476 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000004080516 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000004080520 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000004080542 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000004080544 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004080671 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004080672 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004080674 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080717 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080722 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004080884 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004080885 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004080886 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004080888 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080896 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080897 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004080899 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004080901 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081169 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081170 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)cc1OC ZINC000004081258 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)cc1OC ZINC000004081262 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004081505 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004081506 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)ccc1OC ZINC000004081552 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)ccc1OC ZINC000004081553 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc1OC ZINC000004081717 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000004081720 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)cc1OC ZINC000004081743 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)cc1OC ZINC000004081745 JJ Annotated Anodyne C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)c1ccco1 ZINC000004125095 JJ Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000004126543 JJ Annotated Mild COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000004126546 JJ Annotated Mild CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000004146882 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)N=C3C[C@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000004146895 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000004146905 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)N=C3C[C@@H](C)[C@H](C(=O)OC)C(O)=C32)ccc1O ZINC000004146911 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151874 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151875 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151877 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151878 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004151927 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004151928 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004151929 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152056 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152057 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152058 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152059 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCN(CC)CC ZINC000004152485 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152486 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCN(CC)CC ZINC000004152487 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152488 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(Br)ccc1F ZINC000004152654 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(Br)ccc1F ZINC000004152656 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004152659 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004152660 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCOC ZINC000004152864 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCOC ZINC000004152866 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCOC ZINC000004152868 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCOC ZINC000004152869 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152958 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152960 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152962 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152965 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004153214 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004153215 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004153216 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004153217 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153277 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153386 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153387 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153388 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153389 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153436 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153437 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153587 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153588 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153589 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153590 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153647 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153648 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153649 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153650 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004153667 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004153668 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004153669 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004153670 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000004153765 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153852 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153853 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153854 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153855 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153904 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153905 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153906 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153907 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153921 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153922 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153923 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153924 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154039 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154040 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004154041 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004154042 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2OC)cc1 ZINC000004154421 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000004154422 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154507 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154508 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154509 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154510 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2)ccc1OC ZINC000004155037 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2)ccc1OC ZINC000004155042 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155162 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155163 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004155180 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000004155181 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004201140 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004201149 JJ Annotated Anodyne CCOc1ccc(CO[C@H]2[C@H]([C@@H]3COC4(CCCCC4)O3)O[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000004201917 JJ Annotated Anodyne CCOc1ccc(CO[C@@H]2[C@@H]([C@@H]3COC4(CCCCC4)O3)O[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000004201918 JJ Annotated Anodyne CCOc1ccc(CO[C@H]2[C@@H]([C@@H]3COC4(CCCCC4)O3)O[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000004201919 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202228 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202229 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202230 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202231 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204491 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204493 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204667 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204670 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2OC)c1 ZINC000004204821 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2OC)c1 ZINC000004204822 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204828 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204830 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204879 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204881 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204883 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204914 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204918 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204921 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204934 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204935 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205637 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205639 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205643 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205644 JJ Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206050 JJ Annotated Bother O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206054 JJ Annotated Bother O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206058 JJ Annotated Bother O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206061 JJ Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206513 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206514 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004206517 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004206519 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206561 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206563 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004206566 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004206569 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004207134 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207135 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004207138 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207139 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004207511 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004207512 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207608 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207609 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207610 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207611 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207628 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207629 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207630 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207631 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207995 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207996 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207999 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208000 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208193 JJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208194 JJ Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208195 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208219 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208220 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208221 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208363 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208364 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208365 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208366 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208379 JJ Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208380 JJ Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208381 JJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208382 JJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208383 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208384 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208385 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208386 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208399 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208400 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208401 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208402 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208418 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208419 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208420 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004208421 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004208509 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004208510 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004208511 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)c1OC ZINC000004208600 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)c1OC ZINC000004208601 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000004208660 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000004208661 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)c1OC ZINC000004209062 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)c1OC ZINC000004209068 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004209108 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004209110 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)c1 ZINC000004209165 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)c1 ZINC000004209170 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)c1 ZINC000004209205 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)c1 ZINC000004209209 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000004209255 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000004209257 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000004209323 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000004209327 JJ Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210034 JJ Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210038 JJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210044 JJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004210050 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)cc1OC ZINC000004211235 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)cc1OC ZINC000004211237 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004211550 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004211553 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)ccc1OC ZINC000004211612 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)ccc1OC ZINC000004211615 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004211701 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000004211705 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc1OC ZINC000004211819 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000004211821 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)cc1OC ZINC000004211839 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)cc1OC ZINC000004211840 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212195 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212196 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212198 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212200 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212254 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212257 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212260 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212263 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004213041 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004213045 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004213049 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004213052 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213245 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213246 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213248 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213250 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213522 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213524 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004213525 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCN(CC)CC ZINC000004213526 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213575 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213577 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC ZINC000004213579 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC ZINC000004213581 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213887 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213889 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213892 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213893 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCC#N ZINC000004213981 JJ Annotated Mild CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCC#N ZINC000004213982 JJ Annotated Mild CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCC#N ZINC000004213984 JJ Annotated Mild CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCC#N ZINC000004213986 JJ Annotated Mild CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCOC ZINC000004214047 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCOC ZINC000004214051 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCOC ZINC000004214053 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCOC ZINC000004214054 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214296 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214299 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214302 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214304 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCOC ZINC000004214572 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCOC ZINC000004214574 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCOC ZINC000004214575 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCOC ZINC000004214576 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214634 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214636 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214638 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214641 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214687 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214688 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214689 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214693 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215230 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215232 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215233 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215236 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004215354 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004215356 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004215358 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004215360 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215773 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215775 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215776 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215777 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215821 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215823 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215824 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215825 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215926 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215928 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215933 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215940 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216434 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216436 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216439 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216441 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216560 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216564 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216566 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216568 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216616 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216619 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216621 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216623 JJ Annotated Anodyne COCC(=O)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000004237996 JJ Annotated Anodyne COCC(=O)N1CCC2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000004238007 JJ Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000004238133 JJ Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1 ZINC000004238226 JJ Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(Cc4cccc(OC)c4)c3n2)cc1 ZINC000004238261 JJ Annotated Anodyne Cn1cc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(CCC#N)c2=O)c2ccccc21 ZINC000004238397 JJ Annotated Mild O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1 ZINC000004238570 JJ Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4cccc(C#N)c4)c(=O)n(Cc4cccc(OC)c4)c3n2)cc1 ZINC000004238844 JJ Annotated Mild aggregator COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OCc4ccccc4)nc32)c1 ZINC000004238862 JJ Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)cc1 ZINC000004238908 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004273783 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004273794 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000004273799 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000004273810 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274983 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274984 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274985 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274986 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004275063 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004275064 JJ Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1OC ZINC000004275065 JJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1OC ZINC000004275066 JJ Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275091 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275092 JJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275093 JJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275094 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000004295896 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000004295902 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004296149 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004296159 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004296236 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004296237 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296250 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296252 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296253 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000004296393 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000004296395 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296437 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296438 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296439 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296440 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296472 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296473 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296474 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296499 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296500 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296501 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296502 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004296517 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004296518 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296527 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296528 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296529 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296530 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004296662 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004296663 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004296737 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004296738 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004296739 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004296740 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004296784 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004296785 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004296817 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004296818 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004296819 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000004296930 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000004296931 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296971 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296972 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296973 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296974 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000004296981 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000004296982 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004297006 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004297007 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004297008 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004297009 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310289 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310290 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310291 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310292 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004310307 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000004310308 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310317 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310318 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310319 JJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310320 JJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354784 JJ Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354794 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)[C@@H](C)C(=O)NC(C)(C)C)cc12 ZINC000004355889 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)[C@H](C)C(=O)NC(C)(C)C)cc12 ZINC000004355892 JJ Annotated Anodyne Cc1sc(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000004443025 JJ Annotated Anodyne CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)C1=O ZINC000004489263 JJ Annotated Anodyne O=C(O)c1ccc(NC(=S)[C@@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000040379224 JJ Annotated Clean O=C(O)c1ccc(NC(=S)[C@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000040379225 JJ Annotated Clean C=CCOC(=O)N1c2ccc(OCCCO[C@@H]3CCCCO3)cc2C[C@H]1[C@@H](CC=C)OC(C)=O ZINC000040379577 JJ Annotated Mild C=CCOC(=O)N1c2ccc(OCCCO[C@H]3CCCCO3)cc2C[C@H]1[C@@H](CC=C)OC(C)=O ZINC000040379578 JJ Annotated Mild COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 ZINC000040379732 JJ Annotated Anodyne COc1ccc(/C=C2\CN(C(=O)CCSCCS)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000040379791 JJ Annotated Mild Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C ZINC000040380336 JJ Annotated Anodyne CC(=O)NCCNCc1ccc(OCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1 ZINC000040380380 JJ Annotated Anodyne COC(=O)[C@](C)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1ccccc1Cl ZINC000040380501 JJ Annotated Anodyne Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(F)c(Cl)cc3Cl)n2N)c(C)c1 ZINC000040391866 JJ Annotated Anodyne [O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 ZINC000040392376 JJ Annotated Bother Cc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000040392585 JJ Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000040392673 JJ Annotated Anodyne CC(C)NC(=O)c1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1 ZINC000040392735 JJ Annotated Anodyne O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3cn[nH]c3)c21 ZINC000040392949 JJ Annotated Anodyne O=C(/C=C/c1ccc(/C=C2\Oc3ccccc3NC2=O)s1)Nc1ccc(N2CCOCC2)cc1 ZINC000040393038 JJ Annotated Anodyne O=C1N[C@@H](c2cc3ccc(Br)cc3[nH]2)CN[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000040393341 JJ Annotated Anodyne O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(Cl)c21 ZINC000040393500 JJ Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc21 ZINC000040393556 JJ Annotated Bother O=C1C(Cl)=C(Nc2cc(F)c(F)c(F)c2)C(=O)c2nc(-c3ccccn3)c(-c3ccccn3)nc21 ZINC000040393610 JJ Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\C=C\C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000040393803 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@@H](O)[C@H](C)[C@@H]1C)OCO3 ZINC000040394891 JJ Annotated Anodyne CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3cnccc3C#N)cc2c2n[nH]c(=O)n12 ZINC000040394989 JJ Annotated Mild CC(C)(c1ccc(O)c(CN2CCSCC2)c1)c1ccc(O)c(CN2CCSCC2)c1 ZINC000040395154 JJ Annotated Clean CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(F)cc2)cc1 ZINC000040395388 JJ Annotated Reactive Cc1cc(S(=O)(=O)Nc2nc(O)c3sccc3n2)c(SCc2ccccc2)cc1Cl ZINC000040395646 JJ Annotated Anodyne O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1nc(-c2cccc3ccccc23)no1 ZINC000040395704 JJ Annotated Reactive C/C1=C/C[C@@H](/C(C)=C/c2coc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000040401289 JJ Annotated Anodyne Sc1nnc(CO[C@@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000040402272 JJ Annotated Anodyne Sc1nnc(CO[C@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000040402275 JJ Annotated Anodyne COC(=O)c1cc(/C(=C\CCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000040402715 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1 ZINC000040403048 JJ Annotated Mild CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000040403110 JJ Annotated Bother CCCCOc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040403318 JJ Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)C(CCN1CCCCC1)=CC2)c1c(Cl)nc2sccn12 ZINC000040403552 JJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040403668 JJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040403671 JJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040403675 JJ Annotated Anodyne Cc1nnc(C(C)C)n1C1CCN([C@@H](C)C[C@H](NC(=O)COCC(F)(F)F)c2ccccc2)CC1 ZINC000040404698 JJ Annotated Anodyne Cc1nnc(C(C)C)n1C1CCN([C@H](C)C[C@H](NC(=O)COCC(F)(F)F)c2ccccc2)CC1 ZINC000040404701 JJ Annotated Anodyne COc1noc2c(C)cc(C(=CCCN3CCOC3=O)c3cc(C)c4onc(OC)c4c3)cc12 ZINC000040405166 JJ Annotated Anodyne CN1C[C@@H](c2ccccc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)C12C(=O)c1ccccc1C2=O ZINC000040405170 JJ Annotated Clean COc1ccc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2ccc(OC)cc2)cc1 ZINC000040406248 JJ Annotated Anodyne Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040406306 JJ Annotated Reactive Cc1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040406310 JJ Annotated Reactive Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040406313 JJ Annotated Reactive Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040406316 JJ Annotated Reactive O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3c2OCO3)c1)c1cc(Cl)ccc1Cl ZINC000040407062 JJ Annotated Clean COc1ccc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2ccccc2)cc1 ZINC000040408822 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3ccc(F)cc31)CC1CC1)CO2 ZINC000040411377 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3ccc(F)cc31)CC1CC1)CO2 ZINC000040411380 JJ Annotated Anodyne CN(C)CCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCN(C)C)c2)cc2cc(O)ccc21 ZINC000040411566 JJ Annotated Anodyne COc1ccccc1-n1nc(-c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccccc3)nnc21 ZINC000040412828 JJ Annotated Anodyne C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CC3=CCCCC3)nn2)O1 ZINC000040414538 JJ Annotated Mild NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3c(F)cccc31)C1CCC1)CO2 ZINC000040420595 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3c(F)cccc31)C1CCC1)CO2 ZINC000040420597 JJ Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc3ccccn23)CC1 ZINC000040421242 JJ Annotated Anodyne COc1ccc2c(c1)/C(=C\c1c(-c3cc(OC)ccc3OC)nc3sc(C)cn13)C(=O)N2C ZINC000040422089 JJ Annotated Clean Cc1ccc(N(C(=O)c2ccc(F)cc2F)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000040422505 JJ Annotated Anodyne CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1CSc1ccc(F)cc1 ZINC000040422748 JJ Annotated Clean COC(=O)[C@@]1(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000040423017 JJ Annotated Mild COC(=O)[C@]1(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)CC(=O)C=CC1=O ZINC000040423018 JJ Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)C[C@@H](C)C2 ZINC000040423179 JJ Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)C[C@@H](C)C2 ZINC000040423180 JJ Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)C[C@H](C)C2 ZINC000040423181 JJ Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)C[C@H](C)C2 ZINC000040423182 JJ Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000040423210 JJ Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1cccc(Cl)c1Cl ZINC000040423332 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000040423526 JJ Annotated Anodyne O=C(Cc1csc2ccc(Cl)cc12)N1CCN(c2ccccc2)C[C@H]1CN1CCCC1 ZINC000040424279 JJ Annotated Anodyne O=C(Cc1csc2ccc(Cl)cc12)N1CCN(c2ccccc2)C[C@@H]1CN1CCCC1 ZINC000040424280 JJ Annotated Anodyne CN1CCC(CCOc2nc(C#N)nc(NCC3CCC4(CC3)CC4)c2Br)CC1 ZINC000040425128 JJ Annotated Mild CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(OC)cc1 ZINC000040429219 JJ Annotated Anodyne CCCCCCN(CCCCCC)C(=O)C[C@H]1C[C@H](O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000040430350 JJ Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@@H]1C(=O)COC(=O)C(C)(C)C ZINC000040475182 JJ Annotated Anodyne CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000040504859 JJ Annotated Anodyne O=C(O)CCCSc1nc2cc(Cl)cnc2n1Cc1ccc(Br)cc1F ZINC000040506123 JJ Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(/C=C/Cn3ccnc3)cc1C2)c1ccc(Cl)s1 ZINC000040527583 JJ Annotated Anodyne COc1cc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc(OC)c1OC ZINC000040563751 JJ Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2/C=C/C1=C/C(=C/C=C/c2ccccc2)OC1=O ZINC000040563812 JJ Annotated Anodyne CCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccccc3[C@]3(OC(=O)c4ccccc4)CCO[C@H]23)C1=O ZINC000040564329 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4ccccc4OC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040565130 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4ccccc4OC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040565132 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4ccc(OC)cc4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040565248 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4ccc(OC)cc4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040565250 JJ Annotated Mild Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCN2CCCC2)c2cccc(Br)c21 ZINC000040565919 JJ Annotated Mild CCN(CC)CCO/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21 ZINC000040566768 JJ Annotated Mild Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCC1 ZINC000040566828 JJ Annotated Mild COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1Cc1ccccc1 ZINC000040566869 JJ Annotated Anodyne COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)Cc2ccccc2)[C@H]1CCCc1ccccc1 ZINC000040566906 JJ Annotated Anodyne CCN(CC)CCO/N=C1/C(c2c(O)n(C)c3c(Br)cccc23)=Nc2ccccc21 ZINC000040566945 JJ Annotated Mild COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)Cc2ccccc2)[C@H]1CC1CCCCC1 ZINC000040567069 JJ Annotated Anodyne COc1cc(-n2cnc3cc(-c4ccc([N+](=O)[O-])cc4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040567115 JJ Annotated Bother Cc1c(/N=C/c2ccc(-c3ccc(Br)cc3C(=O)O)o2)c(=O)n(-c2ccccc2)n1C ZINC000040567275 JJ Annotated Mild Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1CCCO ZINC000040567394 JJ Annotated Anodyne CCCCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040567760 JJ Annotated Mild CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(Br)c(Br)c1 ZINC000040568454 JJ Annotated Mild CCCCC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040568601 JJ Annotated Mild CN(CC(N)=O)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000040575338 JJ Annotated Anodyne C[C@H](N[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)[C@H](O)c1ccc(O)cc1 ZINC000040575811 JJ Annotated Anodyne C[C@H](N[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000040575815 JJ Annotated Anodyne C[C@@H](N[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000040575817 JJ Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040577160 JJ Annotated Anodyne CCN(C)CCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000040584173 JJ Annotated Anodyne C[C@H](Nc1c(-c2c(F)ccc(OCCCCN(C)C)c2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040584822 JJ Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)C[C@@H](OS(=O)(=O)c5ccc(C)cc5)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000040584984 JJ Annotated Mild COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000040602054 JJ Annotated Bother C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000040602277 JJ Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000040602280 JJ Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1 ZINC000040602306 JJ Annotated Reactive O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@H]1c1ccccn1 ZINC000040605939 JJ Annotated Bother C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040640387 JJ Annotated Anodyne C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040640390 JJ Annotated Anodyne C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040640393 JJ Annotated Anodyne C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000040640396 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000040656238 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@@]2(C)[C@@H]1CCC[C@@]21CO1)OC(C)=O ZINC000040656240 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@@H]1C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H]12 ZINC000040662064 JJ Annotated Anodyne Cc1cn2c(nc1=O)O[C@@H]1C[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]12 ZINC000040662067 JJ Annotated Anodyne Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCBr ZINC000040762393 JJ Annotated Reactive CCN(CC)C(=O)O/N=C1/C(c2c(O)n(C)c3c(Br)cccc23)=Nc2ccccc21 ZINC000040762803 JJ Annotated Mild CCN(CC)C(=O)O/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21 ZINC000040762882 JJ Annotated Mild C=CCCC(=O)O[C@@H]1[C@H](O)c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC1(C)C ZINC000040763112 JJ Annotated Mild O=S(=O)(c1ccc(Br)s1)N1CCCCC(c2cccc(Br)c2)=N1 ZINC000040763189 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040764158 JJ Annotated Anodyne O=C1c2ccccc2[C@](NC[C@H](O)c2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764166 JJ Annotated Anodyne O=C1c2ccccc2[C@@](NC[C@H](O)c2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764167 JJ Annotated Anodyne O=C1c2ccccc2[C@](NC[C@@H](O)c2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764168 JJ Annotated Anodyne O=C1c2ccccc2[C@@](NC[C@@H](O)c2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764169 JJ Annotated Anodyne Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCBr)c2cccc(Br)c21 ZINC000040764184 JJ Annotated Reactive C[C@H](Nc1c(-c2c(F)cc(OCCCN3CCC3)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040764238 JJ Annotated Anodyne O=C1c2ccccc2[C@](NC[C@H](O)c2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764437 JJ Annotated Anodyne O=C1c2ccccc2[C@@](NC[C@H](O)c2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764438 JJ Annotated Anodyne O=C1c2ccccc2[C@](NC[C@@H](O)c2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764439 JJ Annotated Anodyne O=C1c2ccccc2[C@@](NC[C@@H](O)c2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1 ZINC000040764440 JJ Annotated Anodyne COC(=O)c1c(-c2ccc(O)cc2O)c(-c2cccc(O)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000040764487 JJ Annotated Anodyne O=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)O[C@@H](c3ccccc3)C1=N2 ZINC000040767009 JJ Annotated Mild Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000040767361 JJ Annotated Bother C=C(SCCNC(=O)NCCCCCCNC(=O)NCCSc1ccccc1O)/C(C)=C\C ZINC000040767362 JJ Annotated Anodyne CC1(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(CO)=CC[C@@H]2[C@@H]1CC[C@@]2(C)O ZINC000040767408 JJ Annotated Anodyne CC1(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(CO)=CC[C@H]2[C@@H]1CC[C@@]2(C)O ZINC000040767413 JJ Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(I)c1OC ZINC000040767485 JJ Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(I)c1OC ZINC000040767487 JJ Annotated Reactive C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000040776261 JJ Annotated Anodyne CCOc1cc(OCC(=O)O)c2c(=O)c(OCC)c(-c3ccc(OCC)c(OCC)c3)oc2c1 ZINC000040818652 JJ Annotated Anodyne O=C(c1cc2cccc(S(=O)(=O)c3ccccc3)c2[nH]1)n1nc(O)c2cc(Br)ccc21 ZINC000040846149 JJ Annotated Anodyne O=S1(=O)Oc2ccccc2N=C2C1=CC=CN2CCc1ccc(OCc2ccccc2)cc1 ZINC000040846526 JJ Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccnc5ccccc45)cc3)c(F)c2)C(=O)O1 ZINC000040847499 JJ Annotated Anodyne O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3cncnc3)c21 ZINC000040847641 JJ Annotated Anodyne CC(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1 ZINC000040849112 JJ Annotated Anodyne CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1CSc1ccc(F)c(F)c1 ZINC000040859917 JJ Annotated Clean O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1 ZINC000040860709 JJ Annotated Bother in-vivo C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CC/C=C(\C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000040861491 JJ Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 ZINC000040861712 JJ Annotated Reactive COc1cc(OC(C)(C)COC(C)=O)c(COC(C)=O)c2c1c(=O)c1cc3ccccc3cc1n2C ZINC000040862648 JJ Annotated Bother N#Cc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(OC(F)(F)F)c1 ZINC000040866874 JJ Annotated Mild Cc1cc(S(=O)(=O)Nc2nc3cscc3c(=O)n2Cc2ccccc2)c(S)cc1Cl ZINC000040867273 JJ Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)c2nc(-c3ccccn3)c(-c3ccccn3)nc21 ZINC000040867286 JJ Annotated Mild CC(C)NC(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000040872513 JJ Annotated Anodyne Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040872553 JJ Annotated Anodyne CC(C)CCC[C@H](CCC[C@H](C)CCC[C@H](C)COS(=O)(=O)O)COS(=O)(=O)O ZINC000040873489 JJ Annotated Anodyne CC(C)CCC[C@H](CCC[C@@H](C)CCC[C@H](C)COS(=O)(=O)O)COS(=O)(=O)O ZINC000040873491 JJ Annotated Anodyne CC(C)CCC[C@@H](CCC[C@H](C)CCC[C@H](C)COS(=O)(=O)O)COS(=O)(=O)O ZINC000040873493 JJ Annotated Anodyne CC(C)CCC[C@@H](CCC[C@@H](C)CCC[C@H](C)COS(=O)(=O)O)COS(=O)(=O)O ZINC000040873495 JJ Annotated Anodyne C=CCNC(=O)c1cccc(Sc2ccc(NC(=O)NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000040873699 JJ Annotated Mild Cc1cc(-n2ccc(-n3cc[nH]c3=O)n2)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000040873791 JJ Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(O)c(OC)c1OC)[C@@H](O)[C@H](C)[C@H](C)C2 ZINC000040874582 JJ Annotated Anodyne O=C1c2cc(ccc2-n2nccn2)CCCCc2ccc3cc(ccc3c2)N2CCCN1CC2 ZINC000040874904 JJ Annotated Anodyne CCN(CC)CCNc1c(C(=O)OC(C)C)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000040875290 JJ Annotated Anodyne COC(=O)[C@](F)([C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000040876091 JJ Annotated Anodyne O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)no1 ZINC000040878897 JJ Annotated Reactive C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C/C=C/1 ZINC000040879331 JJ Annotated Anodyne CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3cc(F)c(NS(C)(=O)=O)c(C#N)c3)ccc21 ZINC000040880620 JJ Annotated Mild CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-n3ccnc3)nc2NCC(F)(F)F)c(F)c1 ZINC000040880865 JJ Annotated Anodyne CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)(O)[C@H](O)C3)CCC[C@]12C ZINC000040892455 JJ Annotated Anodyne CNCCCOc1cc(F)c(-c2c(Cl)nc(-n3cccn3)nc2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000040892474 JJ Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000040892634 JJ Annotated Anodyne CN[C@@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1 ZINC000040894449 JJ Annotated Anodyne CCOc1cc(CNc2c(S)n[nH]c2C)cc(Br)c1OCC(=O)NC1CCCCC1 ZINC000040894485 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@@H]2O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C ZINC000040896858 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@@H](C2=CC(=O)O[C@H]2O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C ZINC000040896861 JJ Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc(=O)c3ccccc3n2C)c(SCc2ccccc2)cc1Cl ZINC000040898793 JJ Annotated Anodyne O=C(CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 ZINC000040899017 JJ Annotated Reactive O=C(CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 ZINC000040899020 JJ Annotated Reactive CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(OC(F)(F)F)cccc23)on1 ZINC000040899232 JJ Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@]23CCc2c([nH]c4ccccc24)C3=O)cc1 ZINC000040899761 JJ Annotated Anodyne CC(=O)CCCCC[C@H](NS(=O)(=O)c1ccccc1C#N)c1ncc(-c2ccccc2)[nH]1 ZINC000040914045 JJ Annotated Mild C[C@@H]1CN([C@@H](c2ccccc2)c2ccncc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000040915084 JJ Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1c(Cl)cccc1Cl ZINC000040915149 JJ Annotated Reactive COc1ccc(CN2CC=C(c3ccc(O)cc3)c3c(n(C)c4cc(OC)c(OC)cc34)C2=O)cc1 ZINC000040915231 JJ Annotated Anodyne COC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000040915235 JJ Annotated Anodyne CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 ZINC000040915568 JJ Annotated Anodyne CC(C)CCCCCCCCC[C@@H](C)C(=O)OC[C@@H](O)CO[P@](=O)(O)CC[N+](C)(C)C ZINC000040916022 JJ Annotated Bother CC(C)CCCCCCCCC[C@H](C)C(=O)OC[C@@H](O)CO[P@](=O)(O)CC[N+](C)(C)C ZINC000040916024 JJ Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCc1ccccc1)OCc1cccc2ccccc12 ZINC000040916966 JJ Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](COCc1ccccc1)OCc1cccc2ccccc12 ZINC000040916968 JJ Annotated Bother COc1ccc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2ccccc2OC)cc1 ZINC000040917072 JJ Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000040917293 JJ Annotated Reactive CCCCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccc(OC)cc3)[nH]c12 ZINC000040917496 JJ Annotated Anodyne COc1ccc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2cccc(OC)c2)cc1 ZINC000040917834 JJ Annotated Anodyne O=C([C@@H]1CCc2c(Cl)cc(OCCc3ccc(Cl)c(Cl)c3)c(=O)n21)N1CCCC1 ZINC000040918078 JJ Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc(CNC(=O)N3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000040918317 JJ Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040918379 JJ Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040918380 JJ Annotated Anodyne CCC(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000040918617 JJ Annotated Anodyne COc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccccc4)nnc32)c1 ZINC000040918729 JJ Annotated Anodyne COc1ccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccccc4)nnc32)cc1 ZINC000040918873 JJ Annotated Anodyne C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCc3ccccc3)nn2)O1 ZINC000040918998 JJ Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(C(F)(F)F)cc3)nn2)O1 ZINC000040919028 JJ Annotated Mild CCOC(=O)c1c(NCCc2ccccn2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040933138 JJ Annotated Anodyne C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CCCCC2)c1 ZINC000040933851 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@H]2c2ccccc2)cc1OC ZINC000040933955 JJ Annotated Mild COc1ccc(NC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@@H]2c2ccccc2)cc1OC ZINC000040933956 JJ Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccccc3)nn2)O1 ZINC000040934093 JJ Annotated Mild CCCCN(CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(CC)CC)O2)nn1)CCCC ZINC000040934195 JJ Annotated Mild Cc1nc(-c2ccc3[nH]ccc3c2)sc1C(=O)N(CC(=O)O)Cc1nc2ccccc2s1 ZINC000040934892 JJ Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3cccc4ccccc34)nn2)O1 ZINC000040935701 JJ Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3cccc4ccccc34)nn2)O1 ZINC000040935984 JJ Annotated Mild COc1cc2c(cc1OCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000040936392 JJ Annotated Mild NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2 ZINC000040937025 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2 ZINC000040937027 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3cccc(F)c31)CC1CC1)CO2 ZINC000040937029 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3cccc(F)c31)CC1CC1)CO2 ZINC000040937031 JJ Annotated Anodyne COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2cccs2)cc1OC ZINC000040937138 JJ Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4c(Cl)cccc4Cl)CC3)cc1CC2 ZINC000040937410 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3cc(F)ccc31)C1CCC1)CO2 ZINC000040937464 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3cc(F)ccc31)C1CCC1)CO2 ZINC000040937466 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3ccc(F)cc31)C1CCC1)CO2 ZINC000040937468 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3ccc(F)cc31)C1CCC1)CO2 ZINC000040937470 JJ Annotated Anodyne c1ccc2c(c1)SCCc1c-2n(CCc2nnn(CCN3CCCCC3)n2)c2ccccc12 ZINC000040938323 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2 ZINC000040938825 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2 ZINC000040938827 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3cccc(F)c31)C1CCC1)CO2 ZINC000040939237 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3cccc(F)c31)C1CCC1)CO2 ZINC000040939239 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2 ZINC000040943614 JJ Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@H](N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2 ZINC000040943616 JJ Annotated Anodyne c1ccc2c(c1)SCCc1c-2n(CCc2nnnn2CCN2CCCCC2)c2ccccc12 ZINC000040943683 JJ Annotated Anodyne Cc1ccc2c(Cc3nn4c(CN5CCOCC5)c(-c5ccc([N+](=O)[O-])cc5)nc4s3)coc2c1 ZINC000040949317 JJ Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C2CCCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040949617 JJ Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C2CCCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040949619 JJ Annotated Mild O=C1C=C(CCC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C(=O)c2ccccc21 ZINC000040949877 JJ Annotated Mild Cc1[nH]n(C(C)C)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040950495 JJ Annotated Mild Cc1[nH]n(C(C)C)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040950497 JJ Annotated Mild CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(OC)cc1 ZINC000040952695 JJ Annotated Anodyne Cc1cc(NC(=O)c2ccc3c(c2)CCNC3)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040953163 JJ Annotated Anodyne CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CNc3ccccc3)ccc21 ZINC000040954098 JJ Annotated Anodyne CCOC(=O)[C@@H](OCC)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C ZINC000040954254 JJ Annotated Clean CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1 ZINC000040955021 JJ Annotated Anodyne C=CCN(c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000040955246 JJ Annotated Mild C=CCN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000040955248 JJ Annotated Mild CCOC(=O)[C@H](OCC)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C ZINC000040955952 JJ Annotated Clean O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040957272 JJ Annotated Anodyne O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040957275 JJ Annotated Anodyne CC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1 ZINC000040973878 JJ Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCO)c2cccc(Cl)c2)C1 ZINC000040974042 JJ Annotated Anodyne CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040974576 JJ Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2F)C1 ZINC000040974845 JJ Annotated Anodyne Cc1ccc(-c2cc(NCNCCCCS)ccc2C(=O)N[C@@H](CCC(C)C)C(=O)O)cc1 ZINC000040975241 JJ Annotated Mild N#Cc1cc(NCCCc2nc(-c3ccc(F)cc3Cl)no2)cnc1OCC(F)(F)F ZINC000040976927 JJ Annotated Mild Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@@H]2CC(O)([C@@H]2CCNC2=O)C3)c(Cl)c1 ZINC000040977059 JJ Annotated Anodyne CN(CC(=O)N1CCN(c2ccc(F)c(F)c2)C[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040979962 JJ Annotated Anodyne CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C ZINC000040981062 JJ Annotated Anodyne CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1CSc1cccc(OC)c1 ZINC000040981165 JJ Annotated Clean C=C(C)[C@H](O)[C@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042835765 JJ Annotated Mild C=C(C)[C@@H](O)[C@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042835767 JJ Annotated Mild C=C(C)[C@H](O)[C@@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042835769 JJ Annotated Mild C=C(C)[C@@H](O)[C@@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042835771 JJ Annotated Mild C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000042851115 JJ Annotated Anodyne C/C(=C\[C@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042851207 JJ Annotated Anodyne C/C(=C\[C@@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042851210 JJ Annotated Anodyne C/C(=C\[C@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042851213 JJ Annotated Anodyne C/C(=C\[C@@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C ZINC000042851215 JJ Annotated Anodyne CC(C)[C@@H]1C[C@H](OO)C=C2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr ZINC000042852276 JJ Annotated Reactive CC(C)=CCC[C@](C)(O)[C@H]1C[C@H](O)[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000042875608 JJ Annotated Anodyne C/C(=C\CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C)CO ZINC000042875641 JJ Annotated Anodyne CC1=C[C@@H]2C3=C(C)C(=O)O[C@]3([C@@]34C[C@@H](C)[C@@H]5CC(=O)C(C)=C[C@@H]5C3=C(C)C(=O)O4)C[C@@H](C)[C@@H]2CC1=O ZINC000042876405 JJ Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1O ZINC000042876899 JJ Annotated Mild O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc3n2CCCC3)CC1 ZINC000042887441 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000042888015 JJ Annotated Anodyne in-vitro COC(=O)c1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1cc(Br)ccc12 ZINC000042888373 JJ Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1cccs1)c1ccc(Cl)cc1)C2=O ZINC000042888594 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H](O)[C@@H]1O ZINC000042888842 JJ Annotated Anodyne Cc1cc(C(=O)N2CCC(F)(F)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000042889001 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@@H]3C=CC[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C(=O)N2c2ccccc2)cc1 ZINC000042891280 JJ Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]24C)[C@@H]3C1 ZINC000042919916 JJ Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCc1ccc(I)cc1 ZINC000042923023 JJ Annotated Anodyne COc1cc2c(cc1OCCCCO)Nc1cc(Nc3cc(F)nc(F)c3)ccc1C(=O)N2 ZINC000042967084 JJ Annotated Anodyne Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1 ZINC000043009997 JJ Annotated Anodyne COc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/c3ccc(O)c(OC)c3)nn2)cc1 ZINC000043010288 JJ Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000043014651 JJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000043014654 JJ Annotated Anodyne C[C@@H]1CNC(c2ccc(Nc3nnc(Nc4ccc(C5=N[C@H](C)CN5)cc4)c4ccccc34)cc2)=N1 ZINC000043017787 JJ Annotated Anodyne C[C@H]1CNC(c2ccc(Nc3nnc(Nc4ccc(C5=N[C@H](C)CN5)cc4)c4ccccc34)cc2)=N1 ZINC000043017790 JJ Annotated Anodyne C[C@H]1CNC(c2ccc(Nc3nnc(Nc4ccc(C5=N[C@@H](C)CN5)cc4)c4ccccc34)cc2)=N1 ZINC000043017794 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)O[C@@H]1O)COS(=O)(=O)O ZINC000043021224 JJ Annotated Anodyne O=C(O)c1cn([C@H](CO)c2ccccc2)c2ccc(Cc3cccc(Cl)c3F)cc2c1=O ZINC000043023543 JJ Annotated Anodyne CC(=O)Nc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1 ZINC000043024092 JJ Annotated Anodyne CCN(C[C@@](O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043025178 JJ Annotated Anodyne CCN(C[C@](O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043025181 JJ Annotated Anodyne O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1Cc1cc(F)cc(F)c1 ZINC000043059490 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2)cc1 ZINC000043062179 JJ Annotated Mild O=C(CCCC[C@@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O ZINC000043063129 JJ Annotated Reactive O=C(CCCC[C@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O ZINC000043063133 JJ Annotated Reactive C[C@H](Cc1ccc(F)c(F)c1)n1c(-c2ncccc2O)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043066201 JJ Annotated Anodyne O=C(c1ccc(-n2cnnn2)cc1)N(c1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1 ZINC000043076124 JJ Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2Br)cc1 ZINC000043118465 JJ Annotated Bother N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCc1ccc(I)cc1 ZINC000043120283 JJ Annotated Anodyne COc1ccc2c(c1OC)[C@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 ZINC000043120378 JJ Annotated Bother COc1nc(C)cc2c1-c1[nH]c3cc(N4CCN(C)CC4)ccc3c1CCN2CCc1ccccc1 ZINC000043123324 JJ Annotated Anodyne Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N3CCOCC3)cc12 ZINC000043129363 JJ Annotated Anodyne COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(F)(F)c3nnn[nH]3)c2)n1 ZINC000043129409 JJ Annotated Anodyne CCOC(=O)c1cc2cc3c(cc2nc1NC(=O)Nc1ccc(Br)cc1)OCO3 ZINC000043151173 JJ Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(OCc2cccc(O)c2)C1 ZINC000043152664 JJ Annotated Anodyne Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(F)(F)F ZINC000043195549 JJ Annotated Anodyne NCc1cccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)c1 ZINC000043196059 JJ Annotated Clean NCc1cccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)c1 ZINC000043196060 JJ Annotated Clean Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c(C)c(O)ccc2n1-c1ccccc1 ZINC000043206831 JJ Annotated Anodyne COc1ccc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1 ZINC000043206835 JJ Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2c4ccccc4cc4ccccc24)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000043207420 JJ Annotated Mild COc1cc(C2=NO[C@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000043207680 JJ Annotated Anodyne COc1cc(C2=NO[C@@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000043207681 JJ Annotated Anodyne COc1cc(C2=NO[C@]3(CCCN([C@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000043207682 JJ Annotated Anodyne COc1cc(C2=NO[C@@]3(CCCN([C@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000043207683 JJ Annotated Anodyne N#CN[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc21 ZINC000043307403 JJ Annotated Mild C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 ZINC000043482070 JJ Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 ZINC000043482072 JJ Annotated Reactive CCCCCCCCC[C@@H](O)C1=C[C@@H](OC(C)C)O[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1O ZINC000043562129 JJ Annotated Mild C[C@@]12CC(C(F)(F)F)=NN1C(/N=C(\O)C(F)(F)F)=N/C2=N\c1ccc(C#N)c(C(F)(F)F)c1 ZINC000043574601 JJ Annotated Mild C[C@]12CC(C(F)(F)F)=NN1C(/N=C(\O)C(F)(F)F)=N/C2=N\c1ccc(C#N)c(C(F)(F)F)c1 ZINC000043574603 JJ Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(SCCO)=C(SCCO)C1=O ZINC000043574841 JJ Annotated Mild C[C@](C#N)(COc1cc(F)c(F)cc1C(F)(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000043606203 JJ Annotated Mild C[C@@](C#N)(COc1cc(F)c(F)cc1C(F)(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000043606204 JJ Annotated Mild O=[N+]([O-])c1ccc(COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 ZINC000043677116 JJ Annotated Reactive CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4OC[C@@H](C)[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043693117 JJ Annotated Mild CCO[P@](=O)(F)CCC(=O)NCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000043938988 JJ Annotated Reactive CCO[P@@](=O)(F)CCC(=O)NCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000043938990 JJ Annotated Reactive CCCCCCCCCCCCN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000044086587 JJ Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@@H]1[C@H](O)CO ZINC000044117590 JJ Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@H]1[C@H](O)CO ZINC000044117595 JJ Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO ZINC000044117600 JJ Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@H]1[C@@H](O)CO ZINC000044117605 JJ Annotated Mild CCCCCCCO[C@@H]1[C@@H](O)[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccc(OC)cc3)O[C@H]21 ZINC000044220502 JJ Annotated Mild CCCCCCCCC[C@@H](O)C1=C[C@@H](OC(C)C)O[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000044221802 JJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4[C@H](C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000044265107 JJ Annotated Mild C/C=C/C=C/C(=O)N1CC[C@@]23c4ccccc4N[C@@H]4Nc5cccc6c5[C@@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@@H]13 ZINC000044306352 JJ Annotated Anodyne Cn1c([N+](=O)[O-])cnc1[C@H](Br)[C@H](Br)c1ccc(Br)cc1 ZINC000044307406 JJ Annotated Reactive Cn1c([N+](=O)[O-])cnc1[C@@H](Br)[C@H](Br)c1ccc(Br)cc1 ZINC000044307410 JJ Annotated Reactive Cn1c([N+](=O)[O-])cnc1[C@H](Br)[C@@H](Br)c1ccc(Br)cc1 ZINC000044307414 JJ Annotated Reactive Cn1c([N+](=O)[O-])cnc1[C@@H](Br)[C@@H](Br)c1ccc(Br)cc1 ZINC000044307417 JJ Annotated Reactive CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000044307977 JJ Annotated Anodyne C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](O)[C@H]1O ZINC000044359139 JJ Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)C=CC(=O)[C@@]2(C)[C@@H]13 ZINC000044362177 JJ Annotated Anodyne C/C(=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C)CO ZINC000044362230 JJ Annotated Anodyne C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]1O ZINC000044387411 JJ Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)[C@@H](CC[C@]23C)C(C)(C)[C@H](O)C[C@H]4O)O1 ZINC000044404349 JJ Annotated Anodyne CCCCCCC[C@H](O)CCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044405050 JJ Annotated Mild CCCCCCC[C@@H](O)CCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044405054 JJ Annotated Mild CCCCCCC[C@H](O)CCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044405058 JJ Annotated Mild CCCCCCC[C@@H](O)CCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044405062 JJ Annotated Mild CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)[C@@H](CC[C@]23C)C(C)(C)[C@H](O)C[C@H]4O)O1 ZINC000044417100 JJ Annotated Anodyne COC1(OC)CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@]54O)[C@@H]3CC[C@@H]2C1 ZINC000044417982 JJ Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@H]2C(=O)[C@@]3(C)CC[C@H](O)C[C@@]34O[C@H]4[C@@H]2O)[C@]1(C)CCO ZINC000044418437 JJ Annotated Anodyne CC(C)[C@@H]1C[C@H](OO)C=C2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O ZINC000044418972 JJ Annotated Reactive CC1(C)C[C@@H](NCc2cccc(C(F)(F)F)c2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000004665209 JJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004665252 JJ Annotated Anodyne CC(C)OC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC(C)C ZINC000004692280 JJ Annotated Reactive COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757122 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757123 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757124 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757125 JJ Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c(Cl)c1 ZINC000004758795 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1nc3ccccc3s1)[C@@H](c1cccs1)N(C)C2=O ZINC000004759776 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1nc3ccccc3s1)[C@H](c1cccs1)N(C)C2=O ZINC000004759778 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1nc3ccccc3s1)[C@@H](c1cccs1)N(C)C2=O ZINC000004759781 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1nc3ccccc3s1)[C@H](c1cccs1)N(C)C2=O ZINC000004759782 JJ Annotated Anodyne O=C(CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)cn1-c1ccccc1)Nc1ccc(F)cc1F ZINC000004765544 JJ Annotated Anodyne CCOc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793426 JJ Annotated Anodyne CCOc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793430 JJ Annotated Anodyne CCOc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004793432 JJ Annotated Anodyne CCOc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004793435 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793671 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004793674 JJ Annotated Anodyne Cc1cccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004793876 JJ Annotated Anodyne Cc1cccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004793878 JJ Annotated Anodyne Cc1cccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004793881 JJ Annotated Anodyne Cc1cccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004793883 JJ Annotated Anodyne CCOc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793910 JJ Annotated Anodyne CCOc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793915 JJ Annotated Anodyne CCOc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793917 JJ Annotated Anodyne CCOc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000004793920 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004798899 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004798905 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004798909 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004798913 JJ Annotated Anodyne O=C1COC2(CN1C[C@@H]1CCN(Cc3ccc(O)c(Cl)c3)C1)c1ccccc1-c1ccccc12 ZINC000045166855 JJ Annotated Anodyne O=C1COC2(CN1C[C@H]1CCN(Cc3ccc(O)c(Cl)c3)C1)c1ccccc1-c1ccccc12 ZINC000045166857 JJ Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(CNCCN5CCNCC5)c4)c3)nc2c1 ZINC000045167299 JJ Annotated Anodyne COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3C#N)c(=S)n2Cc2ccco2)c1 ZINC000045167667 JJ Annotated Mild CCc1c(CCNCCCCCCNCCc2ccc3c(c2C)OCO3)ccc2c1OCO2 ZINC000045167916 JJ Annotated Anodyne Oc1ccc(CCCNc2nc(NCc3cccc4ccccc34)nc(NC3CCNCC3)n2)cc1 ZINC000045168171 JJ Annotated Anodyne CN(C)CCC1CCN(CCS(=O)(=O)c2cccc(Nc3ccc(-c4ccsc4)cn3)c2)CC1 ZINC000045168242 JJ Annotated Anodyne Cn1nc(-c2ccc(CN[C@@H]3CCc4ccc(O)cc43)cc2)c2cnc(NC3CCCC3)nc21 ZINC000045168358 JJ Annotated Anodyne Cn1nc(-c2ccc(CN[C@H]3CCc4ccc(O)cc43)cc2)c2cnc(NC3CCCC3)nc21 ZINC000045168361 JJ Annotated Anodyne Cc1ccc(N2CCN(C(=O)c3cccc(-c4cncc5nc(-c6ccco6)n(C)c45)c3)CC2)nc1 ZINC000045168738 JJ Annotated Anodyne CSc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1 ZINC000045168763 JJ Annotated Anodyne c1cncc(CN2CCCN(c3ccc4c(c3)CCN(Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)c1 ZINC000045168828 JJ Annotated Anodyne Cc1cnccc1/C=C/c1cccc(OCCCN2CCc3ccc(S(C)(=O)=O)cc3CC2)c1 ZINC000045168931 JJ Annotated Anodyne N#Cc1ccc(-n2cc(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)c(C(F)(F)F)n2)cc1 ZINC000045169078 JJ Annotated Mild Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)nc(NCCOc2ccccc2)n1 ZINC000045169100 JJ Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c1Br ZINC000045187427 JJ Annotated Anodyne COc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5c(F)cccc5[nH]4)CC3)c2n1 ZINC000045188898 JJ Annotated Anodyne COc1ccc(CN2CC[C@H](CN3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1 ZINC000045189400 JJ Annotated Clean COc1ccc(CN2CC[C@@H](CN3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1 ZINC000045189403 JJ Annotated Clean FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCCN5CCNCC5)c4)s3)nc2c1 ZINC000045189690 JJ Annotated Anodyne Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)NCCc5ccc(O)c(=O)[nH]5)cc4)c3)[nH]c12 ZINC000045190061 JJ Annotated Anodyne CN(C)CCOc1ccc(-c2cc(-c3ccc(Cl)c(O)c3)c(-c3ccnc(N)n3)o2)cc1 ZINC000045190112 JJ Annotated Anodyne COc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(C(F)(F)F)cc3)cc1)CNCC2 ZINC000045190305 JJ Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCCNC(=O)c5ccnn5C)cc4)s3)nc12 ZINC000045191124 JJ Annotated Anodyne O=[N+]([O-])c1ccc(N/C(=N\c2ccccc2Br)NCCOc2ccccc2)c(O)c1 ZINC000045191499 JJ Annotated Mild CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)COc3ccccc3Cl)cc2)nc1 ZINC000045191690 JJ Annotated Anodyne N#Cc1ccc2c(c1)CN(C1CCC(NC(=O)C3=Cc4cc(Cl)ccc4OC3)CC1)CCC2 ZINC000045193357 JJ Annotated Mild Cc1nc2ccc(/C=C/C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)cc2[nH]1 ZINC000045193641 JJ Annotated Mild CCc1c(CCNCCCCCCNCCc2ccc(Br)cc2)ccc(O)c1O ZINC000045193664 JJ Annotated Clean CCCNCc1ccc(-c2ccc(CN(C(=O)c3nn(-c4ccccc4)nc3C)C3CC3)cc2)nc1 ZINC000045194476 JJ Annotated Anodyne Cc1cc(-c2nc3cncc(-c4cccc(CN5CCC[C@@H]5Cc5cccnc5)c4)c3n2C)nn1C ZINC000045194488 JJ Annotated Anodyne Cc1cc(-c2nc3cncc(-c4cccc(CN5CCC[C@H]5Cc5cccnc5)c4)c3n2C)nn1C ZINC000045194491 JJ Annotated Anodyne CN(C)CCOc1ccc(-c2cc(-c3ccnc(N)n3)c(-c3ccc(Cl)c(O)c3)o2)cc1 ZINC000045195247 JJ Annotated Anodyne N=C(NC1CC1)c1ccc2[nH]c(CCCCCc3nc4ccc(C(=N)NC5CC5)cc4[nH]3)nc2c1 ZINC000045195295 JJ Annotated Anodyne O=C1COC(c2ccccc2)(c2ccccc2)CN1C[C@@H]1CCN(Cc2ccc(O)cc2Cl)C1 ZINC000045195298 JJ Annotated Anodyne O=C1COC(c2ccccc2)(c2ccccc2)CN1C[C@H]1CCN(Cc2ccc(O)cc2Cl)C1 ZINC000045195301 JJ Annotated Anodyne COc1ccc2nccc(CCC3(O)CCC(NCc4cc5c(cc4F)SCC(=O)N5)CC3)c2c1 ZINC000045196221 JJ Annotated Anodyne CN(C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(=O)n(C[C@@H]5CCCO5)cnc4c3)cc2)c1 ZINC000045201222 JJ Annotated Anodyne CN(C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(=O)n(C[C@H]5CCCO5)cnc4c3)cc2)c1 ZINC000045201224 JJ Annotated Anodyne Fc1cccc(COc2ccc(-n3ccc4c(NCCCn5ccnc5)ncnc43)cc2Cl)n1 ZINC000045201644 JJ Annotated Anodyne Cc1cc(NC(=O)c2coc3cc(F)c(N4C[C@@H](C)N(C)[C@H](C)C4)cc23)ccc1-n1ccnc1 ZINC000045201918 JJ Annotated Anodyne Cc1cc(NC(=O)c2coc3cc(F)c(N4C[C@H](C)N(C)[C@@H](C)C4)cc23)ccc1-n1ccnc1 ZINC000045201921 JJ Annotated Anodyne Oc1ccc(CN2Cc3ccccc3OC3(CCN(Cc4c[nH]c5cnccc45)CC3)C2)cc1 ZINC000045202046 JJ Annotated Anodyne Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)nc(NCCc2ccc(F)cc2)n1 ZINC000045202123 JJ Annotated Anodyne COc1cc(F)c2ncc(Cl)c(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2c1 ZINC000045202590 JJ Annotated Anodyne CCc1ccc(-n2c(NC(=O)c3ccccc3)nc3ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc32)cc1 ZINC000045209665 JJ Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(c4cc(-c5ccc(Cl)cc5)[nH]n4)CC3)c2n1 ZINC000045210821 JJ Annotated Anodyne Cc1cccc(-c2ccc(CNC3CCN(C[C@@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)cn2)c1 ZINC000045211068 JJ Annotated Anodyne Cc1cccc(-c2ccc(CNC3CCN(C[C@H]4Cn5c(=O)ccc6ccc(F)c4c65)CC3)cn2)c1 ZINC000045211072 JJ Annotated Anodyne Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCc2cccs2)n1 ZINC000045227059 JJ Annotated Anodyne Oc1ccccc1CN(CCCN(Cc1ccccn1)Cc1ccccc1O)Cc1ccccn1 ZINC000045227113 JJ Annotated Clean N#Cc1cncc(-c2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2[C@@H]2CCNC2)c1 ZINC000045227576 JJ Annotated Mild N#Cc1cncc(-c2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2[C@H]2CCNC2)c1 ZINC000045227579 JJ Annotated Mild CC(=O)c1cccc2[nH]c(C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5C4)CC3)cc12 ZINC000045227999 JJ Annotated Mild c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)ccc1OCCCOc1ccc(C2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000045228130 JJ Annotated Anodyne c1cc(C2=N[C@H]3CCCC[C@@H]3N2)ccc1OCCCOc1ccc(C2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000045228134 JJ Annotated Anodyne c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)ccc1OCCCOc1ccc(C2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000045228137 JJ Annotated Anodyne O=c1cnc2ccc(F)cc2n1CCN1CCC(NCc2cc(-c3ccccc3)cs2)CC1 ZINC000045229050 JJ Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCCN5CCNCC5)c4)cc3)nc2c1 ZINC000045229175 JJ Annotated Anodyne CCOC(=O)NC1=NC(C)(C)N(OCc2cccc3c2ccc2ccccc23)C(NC(=O)OCC)=N1 ZINC000045229405 JJ Annotated Bother CC1(C)[C@H]2CC[C@@H](CNc3nc(NCCc4c[nH]cn4)nc(NCc4cc(F)ccc4F)n3)[C@@H]1C2 ZINC000045229432 JJ Annotated Anodyne CN(CCc1ccccn1)c1cccc2c1nc(-c1cccnc1)n2CCNCc1ccccc1 ZINC000045230164 JJ Annotated Anodyne O=C(c1ccc(-c2ccccn2)s1)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000045231172 JJ Annotated Anodyne COc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1 ZINC000045231333 JJ Annotated Anodyne COC(=O)c1cccc(CN(CCC(O)(C(F)(F)F)C(F)(F)F)C(=O)CC2CCCC2)c1 ZINC000045231348 JJ Annotated Anodyne C=CCOC(=O)NCCSc1nc2ccc(NC(=O)[C@H]3CC(=O)c4ccccc43)cc2s1 ZINC000045245286 JJ Annotated Mild Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(CC(C)C)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045245370 JJ Annotated Anodyne COc1ccc(/C(=N/Cc2ccc(F)cc2)c2ccc(=O)n(Cc3ccc(F)cc3)c2)c(O)c1 ZINC000045245490 JJ Annotated Mild COc1ccc(/C(=N/Cc2cccc(F)c2)c2ccc(=O)n(Cc3cccc(F)c3)c2)c(O)c1 ZINC000045252876 JJ Annotated Mild CCOC(=O)c1[nH]c2ccc(Br)cc2c1Sc1cc(O)c(OC)c(OC)c1 ZINC000045253371 JJ Annotated Anodyne CSc1nn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2nc(C)c3c(O)ncnc3c12 ZINC000045253736 JJ Annotated Anodyne CCN(CC)CCCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C ZINC000045253803 JJ Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(Cl)cc1 ZINC000045253807 JJ Annotated Mild CC(=O)c1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1 ZINC000045254421 JJ Annotated Anodyne CN1C(=N)C([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)C(=N)N(C)C1=O ZINC000045254604 JJ Annotated Anodyne COCCSCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000045254617 JJ Annotated Anodyne COc1ccc(C/N=C(\c2ccc(=O)n(Cc3ccc(OC)cc3)c2)c2ccc(OC)cc2O)cc1 ZINC000045254922 JJ Annotated Mild COC(=O)c1ccc([C@@H]2CC([C@@H]3CCC[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)=NO2)cc1 ZINC000045254969 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2CC([C@@H]3CCC[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)=NO2)cc1 ZINC000045254971 JJ Annotated Anodyne O=CC1=C(Sc2ccc(C(=O)O)cc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 ZINC000045255965 JJ Annotated Reactive O=C(NNc1nc(-c2ccccc2)nc2c1[C@H]1CCCN1C(=O)N2c1ccccc1)c1cccnc1 ZINC000045256302 JJ Annotated Reactive O=C(NNc1nc(-c2ccccc2)nc2c1[C@@H]1CCCN1C(=O)N2c1ccccc1)c1cccnc1 ZINC000045256306 JJ Annotated Reactive C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1cccc(Cl)c1 ZINC000045257035 JJ Annotated Mild FC(F)(F)c1cccc2c(N3CCOCC3)c(-c3nnc(S)n3-c3ccccc3)cnc12 ZINC000045258201 JJ Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000045259872 JJ Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000045259875 JJ Annotated Anodyne CN(C)Cc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1 ZINC000045259995 JJ Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](CCc3ccccc3)(CC(C)C)C2=O)cc1 ZINC000045260040 JJ Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@@](CCc3ccccc3)(CC(C)C)C2=O)cc1 ZINC000045260043 JJ Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3Cl)cc1)C2 ZINC000045260890 JJ Annotated Bother CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1ccc(-c2ccc(CO)cc2)cc1 ZINC000045261077 JJ Annotated Anodyne Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1ccc(Cl)cc1 ZINC000045283541 JJ Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)cc1)C2 ZINC000045283674 JJ Annotated Bother O=C(CSc1snnc1-c1ccc(Br)cc1Br)Nc1ccccn1 ZINC000045283910 JJ Annotated Anodyne CCc1ccc(C(=O)NCC2=C[C@@H]3Oc4ccccc4C(=O)C3=CN2c2ncccc2C)cc1 ZINC000045284203 JJ Annotated Mild C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000045284333 JJ Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)F)c3)cc1)C2 ZINC000045284659 JJ Annotated Bother Cc1cccnc1N1C=C2C(=O)c3ccccc3O[C@H]2C=C1CNC(=O)c1cccc(Cl)c1 ZINC000045284788 JJ Annotated Mild Cc1nc(O)c2c(n1)n(-c1nnc(-c3ccccc3)c(-c3ccccc3)n1)n1c(-c3ccccc3)nnc21 ZINC000045285403 JJ Annotated Anodyne Nc1nc2c(-c3[nH]c(Br)c(CCc4ccccc4)c3Br)nccc2[nH]1 ZINC000045286602 JJ Annotated Anodyne Cc1c(C(=O)O)cncc1-c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)o1 ZINC000045286681 JJ Annotated Clean COc1cc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045287220 JJ Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045287222 JJ Annotated Reactive COc1ccc(-c2nc(-c3cccnc3)oc2Sc2ncc(C)c(C)n2)c(OC)c1OC ZINC000045287773 JJ Annotated Anodyne CN(c1ccc(NC(=O)Cc2cccnc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000045287934 JJ Annotated Anodyne CN(c1ccc(NC(=O)Cc2ccccn2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000045287936 JJ Annotated Anodyne COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(C)o3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045288056 JJ Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(C)o3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045288058 JJ Annotated Reactive CO[C@H]1CCCN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)C1 ZINC000045288385 JJ Annotated Anodyne CO[C@@H]1CCCN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)C1 ZINC000045288388 JJ Annotated Anodyne COc1c2occc2c(OC)c2c(C)c(-c3nnc(S)n3CCc3ccccc3)c(=O)oc12 ZINC000045289742 JJ Annotated Anodyne CCNC(=O)NCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1CC ZINC000045289857 JJ Annotated Anodyne Cc1cc(C)cc(Sc2c(Cc3ccc[nH]3)c(C)[nH]c(=O)c2I)c1 ZINC000045289960 JJ Annotated Anodyne COC1CCN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)CC1 ZINC000045289996 JJ Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1O ZINC000045290744 JJ Annotated Clean Cc1cc(C)cc(Sc2c(Cn3cccc3C#N)c(C)[nH]c(=O)c2I)c1 ZINC000045290795 JJ Annotated Mild Clc1ccc([C@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045299529 JJ Annotated Anodyne Clc1ccc([C@@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045299531 JJ Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1 ZINC000045300542 JJ Annotated Reactive CC1(C)O[C@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@@H]1Nc1ccc(Br)cc1Br ZINC000045300834 JJ Annotated Clean CC1(C)O[C@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@@H]1Nc1ccc(Br)cc1Br ZINC000045300838 JJ Annotated Clean Cc1cc(C)cc(Oc2c(CN(C)Cc3ccco3)c(C)[nH]c(=O)c2I)c1 ZINC000045301511 JJ Annotated Anodyne Cc1ccc(NC(=O)N2CCN(CCN(Cc3ccc(F)cc3)C(=O)c3ccccc3C)CC2)cc1 ZINC000045301542 JJ Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNCCN5CCNCC5)cc4)c3)nc2c1 ZINC000045301675 JJ Annotated Anodyne Cc1noc(C)c1CN1Cc2ccccc2OC2(CCN(Cc3c[nH]c4cnccc34)CC2)C1 ZINC000045302196 JJ Annotated Anodyne CCC/N=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCC)OCO3 ZINC000045302408 JJ Annotated Mild COC(=O)c1sc2nc(CN(C)Cc3nccs3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000045302672 JJ Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5cc(Cl)ccc5[nH]4)CC3)c2c1 ZINC000045302803 JJ Annotated Anodyne COc1ccc(-c2ccc(NC(=O)c3ccc(C#N)cc3)c(F)c2)cc1CN(C)CCN(C)C ZINC000045303091 JJ Annotated Mild COc1ccccc1CCNc1nccc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)n1 ZINC000045303144 JJ Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)cc1)C2 ZINC000045303307 JJ Annotated Bother O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-n3ccnc3)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045315232 JJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-n3ccnc3)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045315236 JJ Annotated Anodyne CCO/N=C(/c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cn1 ZINC000045316392 JJ Annotated Mild O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2ccc(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045316606 JJ Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045316610 JJ Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)cc2c1 ZINC000045317020 JJ Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3cc(C#N)ccc43)cc2c1 ZINC000045317023 JJ Annotated Reactive COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@H](C1CC1)c1c[nH]nc1-2 ZINC000045317228 JJ Annotated Anodyne COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C1CC1)c1c[nH]nc1-2 ZINC000045317232 JJ Annotated Anodyne COc1cc(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045319372 JJ Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045319375 JJ Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)NC(=O)c2ccc(O)cc2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000045320025 JJ Annotated Mild Cc1[nH]c2ccccc2c1C1=CCN(CCN2CCOc3c(Br)cccc3C2=O)CC1 ZINC000045320610 JJ Annotated Anodyne COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cc(OC)c(OC)c(OC)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000045321142 JJ Annotated Reactive COc1ccccc1[C@H]1C(C#N)=C(N)N(c2cc(OC)c(OC)c(OC)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000045321146 JJ Annotated Reactive COc1ccc(/C(=N/Cc2ccccc2F)c2ccc(=O)n(Cc3ccccc3F)c2)c(O)c1 ZINC000045322219 JJ Annotated Mild C=CCNC(=O)c1ccc2c(c1)N=C(C[C@H](C)c1ccccc1)N(CCCN1CCCC1=O)C2 ZINC000045322842 JJ Annotated Mild C=CCNC(=O)c1ccc2c(c1)N=C(C[C@@H](C)c1ccccc1)N(CCCN1CCCC1=O)C2 ZINC000045322845 JJ Annotated Mild FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNCCN5CCNCC5)cc4)cc3)nc2c1 ZINC000045322889 JJ Annotated Anodyne CN1CCC(OC(=O)c2cc3cc(-c4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)CC1 ZINC000045323426 JJ Annotated Anodyne COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=S)n2C[C@@H]2CCCO2)c1 ZINC000045323528 JJ Annotated Bother COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=S)n2C[C@H]2CCCO2)c1 ZINC000045323530 JJ Annotated Bother CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000045323783 JJ Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@@H]12 ZINC000045323786 JJ Annotated Mild Nc1ncc(-c2cccc(CCN3CCOCC3)c2)cc1-c1nc2cc(Br)ccc2[nH]1 ZINC000045334427 JJ Annotated Anodyne Cc1nnc2c(NC(=O)NC3CCCC3)cc3cc(-c4ccc(CN5CCN(C)CC5)cc4)ccc3n12 ZINC000045334872 JJ Annotated Anodyne COc1ccc(CN2CCC[C@H](N3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1 ZINC000045335356 JJ Annotated Clean COc1ccc(CN2CCC[C@@H](N3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1 ZINC000045335359 JJ Annotated Clean O=c1ccc2ccc(F)cc2n1CCN1CCC(NCc2ccc(-c3ccccn3)s2)CC1 ZINC000045336795 JJ Annotated Anodyne C=CC[C@@H](C(=O)OCC)[C@@H]1[C@@H](N(CC=C)C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000045337543 JJ Annotated Mild O=C(Cn1c(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc2ccccc21)Nc1ccccc1 ZINC000045337735 JJ Annotated Clean CC(=O)c1cccc2cc(C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5C4)CC3)[nH]c12 ZINC000045338355 JJ Annotated Mild CSCCC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000045339372 JJ Annotated Anodyne CSCCC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000045339374 JJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3coc4c(C)c(OC(C)=O)ccc4c3=O)ccc2OC)c1 ZINC000045339427 JJ Annotated Anodyne O=C(Cn1c(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc2ccccc21)Nc1ccccc1 ZINC000045339509 JJ Annotated Clean C[C@H](ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](O)Nc1ccc(Cl)cc1 ZINC000045340047 JJ Annotated Anodyne C[C@@H](ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](O)Nc1ccc(Cl)cc1 ZINC000045340049 JJ Annotated Anodyne C[C@H](ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](O)Nc1ccc(Cl)cc1 ZINC000045340051 JJ Annotated Anodyne C[C@@H](ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](O)Nc1ccc(Cl)cc1 ZINC000045340053 JJ Annotated Anodyne CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000045340167 JJ Annotated Mild CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000045340169 JJ Annotated Mild CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000045340171 JJ Annotated Mild CC1(C)/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000045340173 JJ Annotated Mild O=c1c2cc(Br)cc(Br)c2nc2c3c4c(sc3ncn12)CCCC4 ZINC000045351254 JJ Annotated Bother CC1=C([C@@H]2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 ZINC000045352865 JJ Annotated Anodyne CC1=C([C@H]2CCCN(C)C2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 ZINC000045352869 JJ Annotated Anodyne OC[C@H](Cc1cn(Cc2cc(F)cc(F)c2)cn1)Nc1nccc(-c2cc3ccccc3s2)n1 ZINC000045353845 JJ Annotated Anodyne COc1cc(/C=C/c2cc(O)c(CCCO)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045358540 JJ Annotated Anodyne c1cc(C2=NCCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCCN4)cc3[nH]2)nc1 ZINC000045364052 JJ Annotated Anodyne CN(CCN)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045364911 JJ Annotated Anodyne CC(=O)Nn1ccnc1NCc1ccc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F ZINC000045366057 JJ Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O ZINC000045368800 JJ Annotated Bother CC(C)OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O ZINC000045368804 JJ Annotated Bother CC(C)OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O ZINC000045368807 JJ Annotated Bother CC(C)OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O ZINC000045368810 JJ Annotated Bother COc1cccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)c(Cl)cc32)c1 ZINC000045372706 JJ Annotated Anodyne COc1cccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)c(Cl)cc32)c1 ZINC000045372710 JJ Annotated Anodyne C=CCN(CC=C)CCN1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000045387116 JJ Annotated Mild C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C(=O)O)noc1CCc1ccc2ccccc2c1 ZINC000045387219 JJ Annotated Mild c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)o3)sc2cc1C1=NCCN1 ZINC000045387704 JJ Annotated Anodyne N#Cc1c(Cl)c(Cl)c(C(C(=O)c2ccc(Cl)cc2)=C2NCCN2)c(C#N)c1Cl ZINC000045388900 JJ Annotated Mild O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)Cc4cccc(C(F)(F)F)c4)c3)c2[nH]1 ZINC000045390416 JJ Annotated Anodyne Cc1ccc(N(C(=O)c2cc(F)ccc2F)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000045484925 JJ Annotated Anodyne Cc1cc(C(=O)N2CCC(F)(F)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000045495023 JJ Annotated Anodyne Cc1cc(C(=O)N(C(=S)OCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)c(C)o1 ZINC000045495457 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1ccc(Cl)cc1Cl ZINC000045496115 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000045496506 JJ Annotated Anodyne Cc1cc(C#N)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(NO)c1Br ZINC000045505967 JJ Annotated Mild CC(C)C[C@@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473082065 JJ Annotated Reactive CC(C)C[C@H](c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)N(CCCl)CCCl ZINC000473082070 JJ Annotated Reactive N#Cc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2 ZINC000473082085 JJ Annotated Mild O=C1c2ccccc2C(=O)c2c(O)c([C@H](Cc3ccccc3)N(CCCl)CCCl)cc(O)c21 ZINC000473082423 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@@H](Cc3ccccc3)N(CCCl)CCCl)cc(O)c21 ZINC000473082426 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccccc3)N(CCCl)CCCl)cc(O)c21 ZINC000473082722 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccccc3)N(CCCl)CCCl)cc(O)c21 ZINC000473082729 JJ Annotated Reactive COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1cccc(Cl)c1 ZINC000473083275 JJ Annotated Anodyne COC(=O)[C@]12C=CC(=O)[C@H]1[C@@]13C=C(C(C)C)[C@@H]2C[C@@H]1[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@@H]1CC3 ZINC000473083466 JJ Annotated Mild O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(F)cc3)N(CCCl)CCCl)cc(O)c21 ZINC000473083558 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(F)cc3)N(CCCl)CCCl)cc(O)c21 ZINC000473083569 JJ Annotated Reactive O=C(CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23)N(CCCl)CCCl ZINC000473083673 JJ Annotated Reactive COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4ccccn4)cc3Cl)c2c1 ZINC000473083948 JJ Annotated Anodyne COc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2 ZINC000473084136 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccccc3F)N(CCCl)CCCl)cc(O)c21 ZINC000473085068 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccccc3F)N(CCCl)CCCl)cc(O)c21 ZINC000473085070 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3cccc(F)c3)N(CCCl)CCCl)cc(O)c21 ZINC000473085209 JJ Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3cccc(F)c3)N(CCCl)CCCl)cc(O)c21 ZINC000473085210 JJ Annotated Reactive O=C1N(Cc2cccc(Cl)c2)c2cccn2S(=O)(=O)N1Cc1cccc(Br)c1 ZINC000473085503 JJ Annotated Anodyne O=C1N(Cc2ccccc2Br)c2cccn2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000473085512 JJ Annotated Anodyne COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccccc1Cl ZINC000473085538 JJ Annotated Anodyne O=C1c2cccc(O)c2C(=O)c2c1ccc([C@@H](c1ccccc1)N(CCCl)CCCl)c2O ZINC000473085543 JJ Annotated Reactive O=C1c2cccc(O)c2C(=O)c2c1ccc([C@H](c1ccccc1)N(CCCl)CCCl)c2O ZINC000473085544 JJ Annotated Reactive CC1(C)N=C(c2ccc(-c3ccc4cccnc4c3)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O ZINC000473085711 JJ Annotated Anodyne COC(=O)[C@]12CC[C@H](O)[C@H]1[C@@]13C=C(C(C)C)[C@@H]2C[C@@H]1[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@@H]1CC3 ZINC000473085874 JJ Annotated Anodyne CN=c1nc(Nc2cccc(S(C)(=O)=O)c2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473086056 JJ Annotated Anodyne COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4cccnc4)cc3Cl)c2c1 ZINC000473086413 JJ Annotated Anodyne Brc1cccc([C@H]2C[C@@H](c3cccc(I)c3)N3NN=NC3=N2)c1 ZINC000473086884 JJ Annotated Anodyne Brc1cccc([C@@H]2C[C@H](c3cccc(I)c3)N3NN=NC3=N2)c1 ZINC000473086885 JJ Annotated Anodyne Cc1c(CNC(=O)c2ccc(Cl)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Cl)cc1)CCC2 ZINC000473089104 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC000473089810 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 ZINC000473089815 JJ Annotated Anodyne Cc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c3nc(O)c(C)cc23)c1 ZINC000473090264 JJ Annotated Anodyne Cc1cncc(-c2cnc(N[C@H]3CCNC[C@@H]3OCC3CCCCC3)c3nc(O)c(C)cc23)c1 ZINC000473090265 JJ Annotated Anodyne c1cc2cc(-c3cnc(-c4cc5ccc(C6=NCCCN6)cc5o4)nc3)oc2cc1C1=NCCCN1 ZINC000473091776 JJ Annotated Anodyne CC(C)CN=c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)c(O)c(F)c2)c[nH]1 ZINC000473092176 JJ Annotated Anodyne CCN1C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473098093 JJ Annotated Clean CC(C)=CC[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)c3ccc4c(c3C[C@@H](O)[C@]12C)[C@@H](O)C[C@H](O)C4(C)C ZINC000473099095 JJ Annotated Anodyne NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1 ZINC000473107731 JJ Annotated Bother O=C(N/C(C(=O)N1CCCCC1)=C(\Br)c1cncc2ccccc12)c1ccccc1 ZINC000473108856 JJ Annotated Anodyne CNC(=O)Cn1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473110369 JJ Annotated Anodyne CN(C)S(=O)(=O)n1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473110908 JJ Annotated Anodyne NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1 ZINC000473110931 JJ Annotated Bother CC1(C)OC2=C(C[C@@H]1I)C(=O)/C(=N\Nc1ccccc1)c1ccccc12 ZINC000473112598 JJ Annotated Reactive CC1(C)OC2=C(C[C@H]1I)C(=O)/C(=N\Nc1ccccc1)c1ccccc12 ZINC000473112599 JJ Annotated Reactive CCOC(=O)c1csc2nc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)cn12 ZINC000473113312 JJ Annotated Anodyne N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 ZINC000473113567 JJ Annotated Anodyne CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N/NC(=O)c3ccncc3)C[C@H]21 ZINC000473113694 JJ Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(-c2cn(C(=O)OC(C)(C)C)c(=N)[nH]2)cc1 ZINC000473115009 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(-c2cn(C(=O)OC(C)(C)C)c(=N)[nH]2)cc1 ZINC000473115010 JJ Annotated Anodyne COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3c2ccc2ccccc23)n1 ZINC000473116566 JJ Annotated Anodyne COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccc4ccccc4c23)n1 ZINC000473117277 JJ Annotated Anodyne Cc1ccc(N=c2c(C(N)=O)c[nH]c3ccc(C(=O)/C=C/c4ccc(N(C)C)cc4)cc23)cc1 ZINC000473119729 JJ Annotated Mild C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)NC(=O)[C@@H]43)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]1C(=O)c1ccccc1C2=O ZINC000473120452 JJ Annotated Clean Cc1cn(-c2ccnc(Nc3cc(C)c(Oc4ccccc4)c(C)c3)n2)cc1CN1CC(O)C1 ZINC000473120617 JJ Annotated Anodyne O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(C(F)F)c2C(=O)O1 ZINC000473121210 JJ Annotated Mild CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(C(C)(C)C)cc4)c23)CC1 ZINC000473124049 JJ Annotated Anodyne COc1cc(/C=C2\COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OCc1ccccc1 ZINC000473125558 JJ Annotated Mild COc1ccc(/C=C2\COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OCc1ccccc1 ZINC000473125725 JJ Annotated Mild Cc1nc(C)c(CN=c2[nH]c(OCCCc3cnc4ccccc4n3)nc(Cl)c2C)s1 ZINC000473126221 JJ Annotated Anodyne Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000473127333 JJ Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccc(OC)c(OC)c4)sc3n2)c1 ZINC000473127344 JJ Annotated Anodyne N#Cc1ccc(Nc2nccc(=Nc3ccc4c(=O)c(C(=O)O)cn(C5CCCCC5)c4c3)[nH]2)cc1 ZINC000473129016 JJ Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)c(Cl)c1)C2 ZINC000473129082 JJ Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1Cl)C2 ZINC000473130575 JJ Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1c(F)cc(-c3ccc(OC(F)(F)F)cc3)cc1F)C2 ZINC000473133114 JJ Annotated Bother CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCCc1ccccc1)CC2 ZINC000473133673 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C[C@@H]3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000473133720 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000473133721 JJ Annotated Mild COC(=O)/C=C/C1=CC[C@H]2[C@@]3(CC[C@]2(C)C[C@H]2[C@@H]1C(=O)C[C@@]2(C)O)O[C@@H](C=C(C)C)C[C@@H]3C ZINC000473135026 JJ Annotated Anodyne CC(C)[C@H]1CC[C@@](O)(CCl)[C@H]2C(=O)OCC(C(=O)OCc3ccc(-c4ccccc4)o3)=C[C@@H]21 ZINC000473135167 JJ Annotated Reactive CNC(=O)c1ccc(-c2ccccc2)cc1O[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000473135517 JJ Annotated Anodyne CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)Cc1ccc(Br)cc1 ZINC000473136284 JJ Annotated Anodyne CCn1c(=O)c(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)cc2c[nH]c(=NC)cc21 ZINC000473136472 JJ Annotated Anodyne CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(Br)cc1 ZINC000473136920 JJ Annotated Anodyne O=S(=O)(N[C@H]1CCOC2(C1)c1ccccc1CCc1ccccc12)c1ccc(Cl)cc1 ZINC000473136926 JJ Annotated Anodyne O=S(=O)(N[C@@H]1CCOC2(C1)c1ccccc1CCc1ccccc12)c1ccc(Cl)cc1 ZINC000473136927 JJ Annotated Anodyne O=S(=O)(N[C@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccc(Cl)cc1 ZINC000473137053 JJ Annotated Anodyne O=S(=O)(N[C@@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccc(Cl)cc1 ZINC000473137055 JJ Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(SC(F)(F)F)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473137219 JJ Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(SC(F)(F)F)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473137220 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(C(=N)N)cc3)c2[N+](=O)[O-])cc1 ZINC000473144422 JJ Annotated Bother CSCC[C@H](NC1=CC(=O)C=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)C1=O)C(=O)O ZINC000473144881 JJ Annotated Mild CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473144931 JJ Annotated Anodyne COC(=O)[C@@H]1N2C(=O)C[C@H]2S[C@@]1(C)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000473145175 JJ Annotated Anodyne C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccccc1 ZINC000473145780 JJ Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCN=c1c3c([nH]c4ccccc14)CCCC3)O2 ZINC000473146746 JJ Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCN=c1c3c([nH]c4ccccc14)CCCC3)O2 ZINC000473146747 JJ Annotated Anodyne C[C@@H]1CC[C@H]2[C@]3(CC(c4c(Cl)cccc4Cl)=NO3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000473146877 JJ Annotated Reactive CCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)OC(C)(C)C)cc21 ZINC000473147445 JJ Annotated Anodyne C[C@H](CC(=O)[C@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000473148464 JJ Annotated Mild O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000473149186 JJ Annotated Clean C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)C=C1 ZINC000473151266 JJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2nc(-c3nc(C(N)=S)cs3)cs2)cs1 ZINC000473151273 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2nc(-c3nc(C(N)=S)cs3)cs2)cs1 ZINC000473151274 JJ Annotated Anodyne C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000473151296 JJ Annotated Mild C=CC(=O)Nc1cc(Nc2cncc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C ZINC000473151827 JJ Annotated Anodyne O=S(=O)(NCc1ccccc1)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)s1 ZINC000473152130 JJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4C[C@@H]5CC[C@H](C4)N5)c3c2)cc(Cl)c1O ZINC000473152136 JJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@H]4C[C@@H]5CC[C@H](C4)N5)c3c2)cc(Cl)c1O ZINC000473152137 JJ Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)NCCc2ccccc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153098 JJ Annotated Anodyne COc1ccc([C@@H]2CCCN2C(=O)NC(=N)NCc2cc(Cl)c(NC(C)=O)c(Cl)c2)cc1 ZINC000473153914 JJ Annotated Anodyne COc1ccc([C@H]2CCCN2C(=O)NC(=N)NCc2cc(Cl)c(NC(C)=O)c(Cl)c2)cc1 ZINC000473153915 JJ Annotated Anodyne COc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473154221 JJ Annotated Bother O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000473155012 JJ Annotated Anodyne Cn1cc(-c2cnc3nc(OCc4cc(F)c(Oc5ccc(Cl)nc5)c(F)c4)ccn23)cn1 ZINC000473155156 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCO[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1 ZINC000473155305 JJ Annotated Mild Cc1ccc(S(=O)(=O)OCCO[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1 ZINC000473155309 JJ Annotated Mild COc1nc(OC)c2c(ccn2C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000473155993 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(C#CC5CCCCC5)cnc43)cc2OC)cn1 ZINC000473159057 JJ Annotated Mild CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=NC[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473164844 JJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@H](CN(C)C)CC1 ZINC000473165299 JJ Annotated Anodyne COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 ZINC000473166883 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2C)S3)cc(OC)c1OC ZINC000473167417 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccccc2C)S3)cc(OC)c1OC ZINC000473167418 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccccc2C)S3)cc(OC)c1OC ZINC000473167420 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2C)S3)cc(OC)c1OC ZINC000473167421 JJ Annotated Anodyne CC(=O)OC[C@@](C)(O)CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O1 ZINC000473167956 JJ Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(C(F)(F)F)cn1)C2 ZINC000473170606 JJ Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cccc(C(F)(F)F)n2)C3)n1 ZINC000473170638 JJ Annotated Anodyne N#C[C@H]1C[C@@H](N(CC2CC2)C2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000473170680 JJ Annotated Mild N#C[C@H]1C[C@H](N(CC2CC2)C2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000473170687 JJ Annotated Mild COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170750 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170753 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170757 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@@H](C(=O)c2ccccc2)S3)cc(OC)c1OC ZINC000473170761 JJ Annotated Anodyne [C-]#[N+][C@H]1C[C@@H](N(C)C2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000473170829 JJ Annotated Reactive CC(=O)OC[C@]1(C)CC[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5CC(=O)[C@]4(C)[C@H]3[C@@H]2C)O1 ZINC000473172488 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473172838 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473172839 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473172840 JJ Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473172841 JJ Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1 ZINC000473179395 JJ Annotated Anodyne O=C(c1ccc(F)cc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(C(F)(F)F)cn1)C2 ZINC000473179591 JJ Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473179712 JJ Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](NC(=O)c2ccccc2)CC1 ZINC000473183164 JJ Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1 ZINC000473194491 JJ Annotated Anodyne COc1ccc2c(c1)CN(c1ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3c1)C2=O ZINC000473199273 JJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](N(C)C)CC4)c3c2)ccc1O ZINC000473201073 JJ Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1ccccc1Cl)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473201217 JJ Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1ccccc1Cl)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473201221 JJ Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473201228 JJ Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473201229 JJ Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2)C1CC1 ZINC000473210109 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(C5CCNCC5)ccc43)cc2OC)cn1 ZINC000473210190 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(C5CCOCC5)ccc43)cc2OC)cn1 ZINC000473210216 JJ Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(S(C)(=O)=O)c[nH]c3ccc(-c4ccc(O)c(Cl)c4)cc23)CC1 ZINC000473210236 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5cncnc5)ccc43)cc2OC)cc1 ZINC000473210242 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(-c5ccnnc5)ccc43)cc2OC)cn1 ZINC000473210248 JJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C#N)c(=N[C@@H]4CC[C@@H](N(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473210251 JJ Annotated Mild CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473213425 JJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CO)CC1 ZINC000473213478 JJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3n2)cc(Cl)c1O ZINC000473213482 JJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473213519 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccccc5)cnc43)cc2OC)cn1 ZINC000473215221 JJ Annotated Anodyne O=C(O)CO/N=C/c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 ZINC000473215363 JJ Annotated Mild C[S@](=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215413 JJ Annotated Anodyne C[S@@](=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215420 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccc(F)cc5)cnc43)cc2OC)cn1 ZINC000473215506 JJ Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(C5=C[C@@]6(C)CCCN5C6)cnc43)cc2OC)cn1 ZINC000473215513 JJ Annotated Anodyne CCOc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473215526 JJ Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](C(=O)NCc2ccccc2)CC1 ZINC000473244411 JJ Annotated Anodyne Cc1nn2c(COCc3cn(Cc4ccc(F)cc4)nn3)c(-c3ccc(Cl)cc3)nc2s1 ZINC000473247078 JJ Annotated Anodyne Cc1cccc(C)c1NCc1cn(CC(=O)Nc2c(C(F)(F)F)n[nH]c2-c2ccccc2)nn1 ZINC000473247208 JJ Annotated Anodyne Brc1cccc([C@@H]2C[C@@H](c3cccc(I)c3)N3NN=NC3=N2)c1 ZINC000473247812 JJ Annotated Anodyne Brc1cccc([C@H]2C[C@H](c3cccc(I)c3)N3NN=NC3=N2)c1 ZINC000473247815 JJ Annotated Anodyne COC(=O)[C@H](C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000473248300 JJ Annotated Anodyne CC1(C)CC[C@@]2(CO)[C@@H](C1)[C@H]1[C@@H](O)C[C@@H]3[C@@](C)(CCCO)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)C[C@H]2O ZINC000473248675 JJ Annotated Anodyne CC1(C)CC[C@@]2(CO)[C@@H](C1)[C@H]1[C@H](O)C[C@@H]3[C@@](C)(CCCO)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)C[C@H]2O ZINC000473248678 JJ Annotated Anodyne Cc1ccc(NC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1NC(=O)c1cnoc1C ZINC000473249358 JJ Annotated Anodyne Cc1ccc(NC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1NC(=O)c1cnoc1C ZINC000473249359 JJ Annotated Anodyne Cc1nn2c(COCc3cn(Cc4ccccc4F)nn3)c(-c3ccc(Cl)cc3)nc2s1 ZINC000473249390 JJ Annotated Anodyne O=C(Cn1cc(-c2ccc(OC(F)(F)F)cc2)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473249934 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nc(Cl)cnc2NCCO)cc1 ZINC000474602353 JJ Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(Cc4cccc(OC)c4)sc3n2)c1 ZINC000474607025 JJ Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(Cc4ccc(OC)cc4)sc3n2)c1 ZINC000474608464 JJ Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccc(OC)cc4)sc3n2)c1 ZINC000474608609 JJ Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4cccc(OC)c4)sc3n2)c1 ZINC000474609561 JJ Annotated Anodyne CC1=NOC(=O)/C1=C/c1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)c2ccc(F)cc12 ZINC000474609671 JJ Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nccnc2NCCCO)cc1 ZINC000474609835 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(OC)c(OC)c5)O4)cc3)O2)cc1OC ZINC000048999343 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(OC)c(OC)c5)O4)cc3)O2)cc1OC ZINC000048999345 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(OC)c(OC)c5)O4)cc3)O2)cc1OC ZINC000048999347 JJ Annotated Anodyne Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CN(C)C)c1 ZINC000048999605 JJ Annotated Anodyne O=C(CC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000049000036 JJ Annotated Anodyne O=C(CC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000049000038 JJ Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1ccc(C2=NN3C(c4ccccc4)=CS[C@H]3N2)cc1 ZINC000049000131 JJ Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1ccc(C2=NN3C(c4ccccc4)=CS[C@@H]3N2)cc1 ZINC000049000133 JJ Annotated Anodyne C/N=C/C(=O)c1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1 ZINC000049014397 JJ Annotated Mild O=S(=O)(c1ccc(Cl)cc1)c1ccc(C2=NN3C(c4ccccc4)=CS[C@H]3N2)cc1 ZINC000049020435 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1ccc(C2=NN3C(c4ccccc4)=CS[C@@H]3N2)cc1 ZINC000049020438 JJ Annotated Anodyne CC(C)(C)c1ccc(CS[n+]2cc3ccccc3c(=O)n2Nc2ccc(Cl)nn2)cc1 ZINC000049021217 JJ Annotated Anodyne CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000049032077 JJ Annotated Reactive NC(=O)c1cc([N+](=O)[O-])c2c(c1)nc(NCc1ccccc1Cl)n2[C@H]1CCc2ccccc21 ZINC000049032451 JJ Annotated Bother Nc1nc(OCCC2CCN(c3cc(-c4cc5ccccc5s4)ncn3)CC2)ncc1F ZINC000049032556 JJ Annotated Anodyne CCn1nc(C)c2c1CCN([C@H](C(=O)NC)c1ccccc1)[C@H]2Cc1ccc(C(F)(F)F)cc1 ZINC000049032640 JJ Annotated Anodyne CCn1nc(C)c2c1CCN([C@H](C(=O)NC)c1ccccc1)[C@@H]2Cc1ccc(C(F)(F)F)cc1 ZINC000049032642 JJ Annotated Anodyne C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000049033116 JJ Annotated Anodyne O=C(Nn1c(CCc2ccccc2)nc2c(-c3ccc(Cl)cc3)n[nH]c2c1=O)c1ccccc1 ZINC000049033554 JJ Annotated Anodyne O=C(O)CSC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000049036678 JJ Annotated Anodyne C=CS(=O)(=O)C1=C[C@@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049036866 JJ Annotated Anodyne COCC[C@H](C(=O)O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000049037465 JJ Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N\OC)[C@H](C)CS4)c(F)cc2C1 ZINC000049045745 JJ Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)/C(=N\OC)[C@@H](C)CS4)c(F)cc2C1 ZINC000049045749 JJ Annotated Mild N#Cc1ccccc1/C=C\C(=O)N1CC[C@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@H](F)C1 ZINC000049048881 JJ Annotated Mild N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@H](F)C1 ZINC000049048885 JJ Annotated Mild N#Cc1ccccc1/C=C\C(=O)N1CC[C@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049048889 JJ Annotated Mild N#Cc1ccccc1/C=C\C(=O)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049048893 JJ Annotated Mild N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/Nc2ccccc2S1 ZINC000049049419 JJ Annotated Reactive N#C/C(C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/Nc2ccccc2S1 ZINC000049049423 JJ Annotated Reactive N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/Nc2ccccc2S1 ZINC000049049427 JJ Annotated Reactive N#C/C(C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/Nc2ccccc2S1 ZINC000049049432 JJ Annotated Reactive C=CS(=O)(=O)C1=C[C@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049051196 JJ Annotated Anodyne CO[C@H]1O[C@H](COc2ccc(C3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1cccc2c1CCCC2 ZINC000049051228 JJ Annotated Anodyne CC1=NN(C(=O)c2sc3ccccc3c2Cl)C(=O)/C1=N/Nc1ccc(C)cc1[N+](=O)[O-] ZINC000049054636 JJ Annotated Mild CC(C)c1cccc2c1NC(=O)[C@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(C)CCC2=O ZINC000049067977 JJ Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(C)CCC2=O ZINC000049067979 JJ Annotated Anodyne N#Cc1ccccc1/C=C/C(=O)N1CC[C@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@H](F)C1 ZINC000049068292 JJ Annotated Mild N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@H](F)C1 ZINC000049068294 JJ Annotated Mild N#Cc1ccccc1/C=C/C(=O)N1CC[C@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049068298 JJ Annotated Mild N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049068300 JJ Annotated Mild CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)O)CC4(C)C)cc3C(=O)O ZINC000049068686 JJ Annotated Bother C[C@H](Nc1nccc(N(CC2CCOCC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 ZINC000049068787 JJ Annotated Anodyne Cc1cc(OC2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C)n3)CC2)ncn1 ZINC000049068927 JJ Annotated Anodyne S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccc(I)cc1 ZINC000049070443 JJ Annotated Anodyne COc1cc(OC)c(/C=C2\CCC/C(=C\c3c(OC)cc(OC)cc3OC)C2=O)c(OC)c1 ZINC000049070674 JJ Annotated Mild O=[N+]([O-])c1ccc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)c([N+](=O)[O-])c1 ZINC000049070705 JJ Annotated Bother CS/C=C\C(=O)SCC[C@H](CCCCC(=O)OCCN(C)C)SC(=O)/C=C\SC ZINC000049071047 JJ Annotated Mild CS/C=C\C(=O)SCC[C@@H](CCCCC(=O)OCCN(C)C)SC(=O)/C=C\SC ZINC000049071049 JJ Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)C2 ZINC000049071907 JJ Annotated Anodyne CCOC(=O)SC1=N[C@@H](c2ccc(OC)c(OC)c2)C(=O)[C@@H](c2ccc3c(c2)CCCC3)N1 ZINC000049088945 JJ Annotated Anodyne CCOC(=O)SC1=N[C@@H](c2ccc(OC)c(OC)c2)C(=O)[C@H](c2ccc3c(c2)CCCC3)N1 ZINC000049088946 JJ Annotated Anodyne CCOC(=O)SC1=N[C@H](c2ccc(OC)c(OC)c2)C(=O)[C@@H](c2ccc3c(c2)CCCC3)N1 ZINC000049088947 JJ Annotated Anodyne CCOC(=O)SC1=N[C@H](c2ccc(OC)c(OC)c2)C(=O)[C@H](c2ccc3c(c2)CCCC3)N1 ZINC000049088948 JJ Annotated Anodyne COc1cc(N2CCN(C3CCN(c4ccc(F)c5cc(F)cnc45)CC3)CC2)c2ncccc2c1 ZINC000049089062 JJ Annotated Anodyne Cc1c(C(=O)NN/C=C(\NNC(=O)c2oc3ccccc3c2C)c2ccccc2)oc2ccccc12 ZINC000049111189 JJ Annotated Reactive CS/C=C/C(=O)SCC[C@H](CCCCC(=O)OCCN(C)C)SC(=O)/C=C/SC ZINC000049111220 JJ Annotated Mild CS/C=C/C(=O)SCC[C@@H](CCCCC(=O)OCCN(C)C)SC(=O)/C=C/SC ZINC000049111222 JJ Annotated Mild S=c1sc2c(ncn3nc(-c4ccco4)nc23)n1-c1ccccc1I ZINC000049112585 JJ Annotated Anodyne CO[C@H]1O[C@H](COc2ccc(C3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc2c(c1)CCCC2 ZINC000049113488 JJ Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(C2=NN3C(c4ccc(Br)cc4)=CS[C@@H]3N2)cc1 ZINC000049113601 JJ Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(C2=NN3C(c4ccc(Br)cc4)=CS[C@H]3N2)cc1 ZINC000049113603 JJ Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049114289 JJ Annotated Anodyne Cc1noc(C)c1CN1[C@H](c2c(C)n(CC(=O)O)c3ccc(Cl)cc23)c2ccccc2S1(=O)=O ZINC000049116068 JJ Annotated Anodyne Cc1noc(C)c1CN1[C@@H](c2c(C)n(CC(=O)O)c3ccc(Cl)cc23)c2ccccc2S1(=O)=O ZINC000049116071 JJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/C1CCCCC1 ZINC000049735193 JJ Annotated Mild CCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCNCCN(C)C)C2=O ZINC000049757410 JJ Annotated Mild CC(C)[C@@H]1C=C[C@H](O)[C@H]2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)CC[C@@]3(C)O ZINC000049762499 JJ Annotated Reactive CC(C)[C@@H]1CC=C[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)C[C@@H](O)[C@@]3(C)O ZINC000049766742 JJ Annotated Reactive CC(C)[C@@H]1CC=C[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr ZINC000049767331 JJ Annotated Reactive C=C1C([C@@H](C)[C@H]2CC=C(C)C(=O)O2)=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)OC(=O)C=C[C@]45O[C@@H]5[C@@]3(O)C[C@@H]12 ZINC000049769968 JJ Annotated Mild CCCCCCCCC[C@@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O ZINC000049771161 JJ Annotated Mild CCCCCCCCC[C@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O ZINC000049771162 JJ Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1ccc(Br)cc1Br ZINC000049783696 JJ Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1ccc(Br)cc1Br ZINC000049783697 JJ Annotated Mild CC1(C)C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000049783813 JJ Annotated Anodyne CC1=C(C(=O)NCc2ccc(C(F)(F)F)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000049784019 JJ Annotated Reactive CCC1(CC)CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)O1 ZINC000049784329 JJ Annotated Anodyne CC1(C)C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@]2(C)O)OC1(C)C ZINC000049784495 JJ Annotated Anodyne CCC1(CC)CC[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)O1 ZINC000049784718 JJ Annotated Anodyne C=CCn1nc(C(=O)Nc2ccc(OC)cc2)cc1-c1sc(NC(=O)C(C)(C)C)nc1C ZINC000049784911 JJ Annotated Mild O=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1c(Cl)cncc1Cl ZINC000049784993 JJ Annotated Anodyne CNC(=O)Nc1ccc2c(c1)C(=O)/C(=C\c1c(-c3c(C)nn(C)c3C)[nH]c3ccc(OC)cc13)O2 ZINC000049785070 JJ Annotated Mild CNC(=O)Nc1ccc2c(c1)C(=O)/C(=C\c1c(-c3c(C)nn(C)c3C)[nH]c3c(F)cc(OC)cc13)O2 ZINC000049785469 JJ Annotated Mild CC1(C)C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000049793618 JJ Annotated Anodyne CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3Cl)CCN4)cn2)CC1 ZINC000049803298 JJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC1CCCC1 ZINC000049803315 JJ Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@@H](OC(=O)[C@@H](C)[C@H](C)OC(C)=O)[C@H]1C(C)C ZINC000049803506 JJ Annotated Anodyne O=C(NNC(=S)NC1CCCCC1)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000049803655 JJ Annotated Reactive CNC(C)(C)C/C=C/C(=O)N(C)[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000049807878 JJ Annotated Anodyne CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000049807879 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](c2ccc(-c3ccccc3)cc2)C1=O ZINC000049864896 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](c2ccc(-c3ccccc3)cc2)C1=O ZINC000049864897 JJ Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@H](O)C(C)(C)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000049867540 JJ Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@H](O)C(C)(C)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000049867541 JJ Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC(C)=O ZINC000049872048 JJ Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]1O ZINC000049872142 JJ Annotated Mild CCCCCCCC/C=C\CCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(C)=O ZINC000049872179 JJ Annotated Mild CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)O[C@@H](C)[C@H]1O ZINC000049872236 JJ Annotated Anodyne CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@]56C=CC(=O)O[C@@H]5O6)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000049872423 JJ Annotated Anodyne CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@]56C=CC(=O)O[C@H]5O6)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 ZINC000049872441 JJ Annotated Anodyne C/C(C(=O)/C=C/C(C)=C/C=C/C(C)(C)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C ZINC000049872463 JJ Annotated Mild CCCCCCCCCCCC/C=C/C[C@@H](O)[C@H](CO)NCc1c(CO)cnc(C)c1O ZINC000049877887 JJ Annotated Mild C/C(C(=O)/C=C/C(C)=C/C=C/C(C)(C)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O ZINC000049878717 JJ Annotated Mild Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn(C)c3N(C)C(=O)C2)cc1 ZINC000000576799 JJ Annotated Anodyne CC(C)CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccccc32)c(Cl)cc1Cl ZINC000000590318 JJ Annotated Anodyne CC(C)CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccccc32)c(Cl)cc1Cl ZINC000000590323 JJ Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000000594541 JJ Annotated Bother N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)n3)cc2c1 ZINC000000599118 JJ Annotated Mild Cc1nsc(-c2ccc(N3CCN(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000000602222 JJ Annotated Anodyne NC(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000000606386 JJ Annotated Anodyne in-vivo COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000000659549 JJ Annotated Reactive CCOc1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OC(=O)c1cccs1 ZINC000000660436 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000756215 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000756216 JJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1C ZINC000000758107 JJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)NC(=O)N1C ZINC000000758108 JJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758439 JJ Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758440 JJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758498 JJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758499 JJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758500 JJ Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758501 JJ Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758629 JJ Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758630 JJ Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758641 JJ Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758642 JJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758643 JJ Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758644 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000760193 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000760194 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000760195 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000760196 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000760197 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000760198 JJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763083 JJ Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763084 JJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763085 JJ Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763086 JJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763088 JJ Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763089 JJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763094 JJ Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763095 JJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763096 JJ Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763097 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763157 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763158 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763159 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763160 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763169 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763170 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763171 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000763172 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763177 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763178 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763179 JJ Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763180 JJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763185 JJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763186 JJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763187 JJ Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763188 JJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763295 JJ Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763296 JJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763325 JJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763326 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000767062 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000767063 JJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767066 JJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767068 JJ Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000000767103 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 ZINC000000767184 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000000767227 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000767256 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000767257 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000767264 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000767265 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000000767268 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000000767270 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000767316 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000767317 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000767324 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000767325 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000000767470 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000000767472 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000000767478 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000000767480 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000767514 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000767515 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000000767570 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000000767572 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000000767578 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000000767580 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000767622 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000767623 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000767633 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000000767635 JJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000000767637 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000000767677 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000000767678 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000767686 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000767687 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000000767786 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000000767788 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000000767808 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000000767810 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000000767859 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000000767861 JJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767950 JJ Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767952 JJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767954 JJ Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767956 JJ Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000768642 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000768652 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000768653 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000000768662 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000000768675 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000768773 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000768798 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000768811 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000768812 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)c1OC ZINC000000768822 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)c1OC ZINC000000768824 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000000768830 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000000768832 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)c1OC ZINC000000768938 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)c1OC ZINC000000768940 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)c1 ZINC000000768942 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)c1 ZINC000000768944 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000000768946 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000000768948 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000769026 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000769027 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)c1 ZINC000000769030 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)c1 ZINC000000769032 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000000769034 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000000769035 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)cc1OC ZINC000000769060 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)cc1OC ZINC000000769062 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000000769225 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)cc1OC ZINC000000769227 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)ccc1OC ZINC000000769272 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)ccc1OC ZINC000000769274 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000769307 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000769308 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2OC)cc1OC ZINC000000769320 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2OC)cc1OC ZINC000000769321 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769329 JJ Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000769331 JJ Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000000769360 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000769474 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000769475 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769490 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769491 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000000769521 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000000769523 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000000769536 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000000769538 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000769540 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000769541 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769593 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769632 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)cc1 ZINC000000769870 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)cc1 ZINC000000769872 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000000769969 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OC)cc1 ZINC000000769971 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)ccc1OC ZINC000000770014 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)ccc1OC ZINC000000770016 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000770036 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000770037 JJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000000770044 JJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000000770045 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770091 JJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770092 JJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000000770095 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770105 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770106 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000000770113 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000000770114 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770189 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770191 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000770193 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)ccc1OC ZINC000000770221 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)ccc1OC ZINC000000770223 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c1 ZINC000000770302 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c1 ZINC000000770303 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2OC)c1 ZINC000000770310 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2OC)c1 ZINC000000770311 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770364 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770366 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000000770390 JJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000770626 JJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000770627 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000770738 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000770740 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770746 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770748 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770749 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000000770774 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000000770776 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000770777 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000770934 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000770935 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000770936 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000770937 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000770942 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000770943 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000770944 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000770945 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2)cc1 ZINC000000770946 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2)cc1 ZINC000000770947 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2)cc1 ZINC000000770948 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2)cc1 ZINC000000770949 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771038 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771039 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771040 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771041 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771042 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771043 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771044 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771045 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771046 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771047 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771048 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771049 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccsc2)cc1 ZINC000000771050 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccsc2)cc1 ZINC000000771051 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccsc2)cc1 ZINC000000771052 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccsc2)cc1 ZINC000000771053 JJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771230 JJ Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771231 JJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000000771374 JJ Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000000771375 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2OC)cc1 ZINC000000771476 JJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2OC)cc1 ZINC000000771478 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2)ccc1OC ZINC000000771521 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2)ccc1OC ZINC000000771523 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771530 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771532 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771551 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771552 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000000771564 JJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000000771616 JJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2OC)cc1 ZINC000000771617 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771719 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771721 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771752 JJ Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2OC)c1 ZINC000000771894 JJ Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2OC)c1 ZINC000000771895 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771912 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771914 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771920 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771922 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N ZINC000000771934 JJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N ZINC000000771936 JJ Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000000771948 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000000771950 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000771952 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000772129 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000772130 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000000772139 JJ Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000000772151 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000772271 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000772285 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)c1OC ZINC000000772295 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)c1OC ZINC000000772297 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)cc(OC)c1 ZINC000000772303 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)cc(OC)c1 ZINC000000772305 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)c1OC ZINC000000772411 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)c1OC ZINC000000772413 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)c1 ZINC000000772415 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)c1 ZINC000000772417 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc(OC)c1 ZINC000000772419 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc(OC)c1 ZINC000000772421 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000772499 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000772500 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)c1 ZINC000000772503 JJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)c1 ZINC000000772505 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)cc(OC)c1 ZINC000000772507 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)cc(OC)c1 ZINC000000772508 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)cc1OC ZINC000000772533 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)cc1OC ZINC000000772535 JJ Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000000772554 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)cc1OC ZINC000000772696 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)cc1OC ZINC000000772698 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)ccc1OC ZINC000000772743 JJ Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)ccc1OC ZINC000000772745 JJ Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000772778 JJ Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000772779 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000000772786 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000000772788 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)cc1OC ZINC000000772791 JJ Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)cc1OC ZINC000000772792 JJ Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772800 JJ Annotated Bother Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000772802 JJ Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000000772836 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000000772837 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000000772857 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000000772886 JJ Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000000772888 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000000772894 JJ Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000000772896 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000772958 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000772959 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772972 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000773013 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000773014 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000000773057 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000773137 JJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000773139 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000773162 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000773164 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000000773222 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000000773224 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1N ZINC000000773232 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1N ZINC000000773234 JJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000773236 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000773256 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1 ZINC000000773257 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000773270 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000000773305 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000000773306 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000773313 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2OC)c(OC)c1 ZINC000000773314 JJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773374 JJ Annotated Bother O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773376 JJ Annotated Bother COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000773400 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000773401 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000773402 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000773403 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773486 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773487 JJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000773510 JJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000773511 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773623 JJ Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773624 JJ Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773625 JJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000773626 JJ Annotated Bother CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000000773647 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC(C)(C)CO ZINC000000773670 JJ Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773737 JJ Annotated Bother O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773743 JJ Annotated Bother O=C(NCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773744 JJ Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773745 JJ Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000000773748 JJ Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000000773749 JJ Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000773837 JJ Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000000773900 JJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000000773901 JJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000000773902 JJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000000773903 JJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000774029 JJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000774030 JJ Annotated Anodyne COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000000774179 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774183 JJ Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774184 JJ Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774185 JJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774186 JJ Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774212 JJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774238 JJ Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2F)cc1 ZINC000000774328 JJ Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@H](C)C(C)C)cc1 ZINC000000774332 JJ Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@@H](C)C(C)C)cc1 ZINC000000774333 JJ Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCc2ccccc2)cc1 ZINC000000774335 JJ Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccoc2)ccc1OC ZINC000000774373 JJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCC(C)C)cc1 ZINC000000774443 JJ Annotated Bother COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000774520 JJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1OC ZINC000000774521 JJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000774522 JJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1OC ZINC000000774523 JJ Annotated Anodyne O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774534 JJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(OC)c(OC)c1OC ZINC000000774625 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(OC)c(OC)c1OC ZINC000000774626 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(OC)c(OC)c1OC ZINC000000774627 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(OC)c(OC)c1OC ZINC000000774628 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774739 JJ Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774740 JJ Annotated Bother CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000774796 JJ Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000774881 JJ Annotated Bother O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774960 JJ Annotated Bother O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774962 JJ Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000000774969 JJ Annotated Bother COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000774986 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000774987 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000774988 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000774989 JJ Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775035 JJ Annotated Bother O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775036 JJ Annotated Bother O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775037 JJ Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775038 JJ Annotated Bother CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775058 JJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775059 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775072 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775073 JJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000775096 JJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000775097 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775209 JJ Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775210 JJ Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775211 JJ Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775212 JJ Annotated Bother CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775233 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCC(C)(C)CO ZINC000000775256 JJ Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775323 JJ Annotated Bother O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775329 JJ Annotated Bother O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775330 JJ Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775331 JJ Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000000775334 JJ Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000000775335 JJ Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000775424 JJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000775527 JJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000775698 JJ Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775702 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775703 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775704 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775705 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775722 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775723 JJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775724 JJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000000775725 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775726 JJ Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775727 JJ Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775798 JJ Annotated Bother CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775799 JJ Annotated Bother CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000775848 JJ Annotated Bother CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000775856 JJ Annotated Bother COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000000775941 JJ Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000775965 JJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000775972 JJ Annotated Bother COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775980 JJ Annotated Bother CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776041 JJ Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776042 JJ Annotated Anodyne CC1(C)C[C@H](NCc2cccc(C(F)(F)F)c2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000776076 JJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776130 JJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776131 JJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776132 JJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776133 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776711 JJ Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776712 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000776725 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000776726 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000776727 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000776728 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000776729 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000776730 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000776731 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000776732 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776739 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776740 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776743 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000776744 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776749 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776750 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776751 JJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776752 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776757 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776758 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776759 JJ Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776760 JJ Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776810 JJ Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776811 JJ Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776812 JJ Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776813 JJ Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000776814 JJ Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777010 JJ Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777011 JJ Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777012 JJ Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777013 JJ Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777014 JJ Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777015 JJ Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777016 JJ Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)cc2OC)cc(OC)c1 ZINC000000777225 JJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777538 JJ Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777539 JJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777540 JJ Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000777541 JJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000777542 JJ Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000777543 JJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777568 JJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777569 JJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000777576 JJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000777577 JJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000777578 JJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000777579 JJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000777600 JJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000777601 JJ Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000777602 JJ Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000777603 JJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000777762 JJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000777763 JJ Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000777791 JJ Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788496 JJ Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788497 JJ Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788498 JJ Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000000788499 JJ Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789133 JJ Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789135 JJ Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789137 JJ Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789138 JJ Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789284 JJ Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789286 JJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789553 JJ Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789555 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000000789588 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000000789590 JJ Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000000789592 JJ Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC1(CCCCC1)O2 ZINC000000789593 JJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000789595 JJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000789597 JJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789611 JJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789613 JJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789615 JJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789617 JJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789667 JJ Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789668 JJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789669 JJ Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000000789671 JJ Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789698 JJ Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789699 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000789999 JJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790652 JJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790653 JJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790655 JJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790657 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790765 JJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000791043 JJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000791045 JJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000791046 JJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000791047 JJ Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000000791050 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000791537 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000791538 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000791539 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000791541 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000000791547 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000000791548 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000000791549 JJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000000791550 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000792004 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000792006 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000792008 JJ Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccco3)C2)cc1 ZINC000000792010 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000792230 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000792249 JJ Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)C=C2 ZINC000000897931 JJ Annotated Anodyne in-vitro biogenic O=C(Nc1nc(C2C3CC4CC(C3)CC2C4)cs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000973408 JJ Annotated Bother COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cccnc2)cc1OC ZINC000000975996 JJ Annotated Mild COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cccnc2)cc1OC ZINC000000975997 JJ Annotated Mild O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1 ZINC000050664261 JJ Annotated Anodyne Cc1nc2ccc(/C=C\C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)cc2[nH]1 ZINC000051023988 JJ Annotated Anodyne CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cnc(-c6ccccn6)nc5)[C@@H]4O)[C@@H]3CC[C@@H]12 ZINC000052565944 JJ Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N\c3c(Cl)cc(Cl)cc3Cl)n(C)c(=O)n1CC2 ZINC000052971150 JJ Annotated Anodyne CCCC[C@H]1CN(c2cccc(C)c2C)C(=O)CN1Cc1cncn1Cc1ccc(C#N)cc1 ZINC000053186491 JJ Annotated Mild CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12 ZINC000053229227 JJ Annotated Anodyne CC1(NC(=O)c2cccnc2)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053230172 JJ Annotated Anodyne COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O ZINC000053242789 JJ Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O ZINC000053242791 JJ Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O ZINC000053242793 JJ Annotated Reactive COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O ZINC000053242795 JJ Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053243039 JJ Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053243040 JJ Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053243042 JJ Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053243044 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053243122 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053243124 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053243126 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053243128 JJ Annotated Reactive O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2nnc3n2N=C(Nc2ccccc2)CS3)cc1 ZINC000053243217 JJ Annotated Anodyne CCOC(=O)C1=C(N)OC(c2c(C)[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000053243336 JJ Annotated Reactive Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)cc1 ZINC000053243703 JJ Annotated Clean N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000053243792 JJ Annotated Reactive O=C(O)CN(CC(=O)O)C(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053243893 JJ Annotated Anodyne O=C(O)C[C@H](NC(=O)/C=C/CCCCCCCCCC=C(Br)Br)C(=O)O ZINC000053276330 JJ Annotated Anodyne O=C1CS[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053276541 JJ Annotated Clean O=C1CS[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053276542 JJ Annotated Clean O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000053294184 JJ Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O ZINC000053297656 JJ Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)ccc1O ZINC000053297659 JJ Annotated Anodyne CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 ZINC000053297793 JJ Annotated Reactive CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 ZINC000053297796 JJ Annotated Reactive CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 ZINC000053297801 JJ Annotated Reactive CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c4ccccc4c4ccccc43)o2)cc1 ZINC000053297804 JJ Annotated Reactive O=C(O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053298184 JJ Annotated Anodyne COc1cccc(-c2cc(-c3cn(-c4cc5ccc(OC(C)=O)c(C)c5oc4=O)nn3)ccc2OC)c1 ZINC000053298730 JJ Annotated Anodyne O=C(CBr)N(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000053299099 JJ Annotated Reactive COc1cccc(-c2cc(-c3cn(-c4cc5ccc(O)c(C)c5oc4=O)nn3)ccc2OC)c1 ZINC000053299127 JJ Annotated Anodyne N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053312663 JJ Annotated Reactive N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053312665 JJ Annotated Reactive N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053312668 JJ Annotated Reactive N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053312671 JJ Annotated Reactive COc1ccc(N/C=N/C2=C(C#N)[C@@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313213 JJ Annotated Reactive COc1ccc(N/C=N/C2=C(C#N)[C@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313216 JJ Annotated Reactive COc1ccc(N/C=N/C2=C(C#N)[C@@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313219 JJ Annotated Reactive COc1ccc(N/C=N/C2=C(C#N)[C@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313222 JJ Annotated Reactive CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COS(=O)(=O)c1ccc(C)cc1)[C@@]2(C)CCC1=CCOC1=O ZINC000053313382 JJ Annotated Mild COc1ccc(/C=N/C2=C(C#N)[C@@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313699 JJ Annotated Reactive COc1ccc(/C=N/C2=C(C#N)[C@H]3[C@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313702 JJ Annotated Reactive COc1ccc(/C=N/C2=C(C#N)[C@@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313706 JJ Annotated Reactive COc1ccc(/C=N/C2=C(C#N)[C@H]3[C@@H](N4CCCC4)CCCCN3C(=O)N2c2ccccc2)cc1 ZINC000053313708 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053313736 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053313739 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053313743 JJ Annotated Reactive N#CC1=C(/N=C/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053313746 JJ Annotated Reactive O=C1CC(C[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539212 JJ Annotated Anodyne O=C1CC(C[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539214 JJ Annotated Anodyne O=C1CC(C[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539219 JJ Annotated Anodyne O=C1CC(C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539224 JJ Annotated Anodyne CC[C@@]1(C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=S)COC2(CCCCC2)O1 ZINC000005542005 JJ Annotated Anodyne Cc1ccc(C)n1-c1ccccc1[C@@H]1C=Cn2c3c1c(=O)c(OC(C)C)c(OC(C)C)c-3n[nH]c2=O ZINC000005542869 JJ Annotated Clean O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc12 ZINC000005579228 JJ Annotated Bother CN(C)CCCn1c(=S)n(CCCN(C)C)c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000005581646 JJ Annotated Bother CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 ZINC000005582114 JJ Annotated Reactive N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1 ZINC000005582261 JJ Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2cc1OCCN(C)C ZINC000005582531 JJ Annotated Reactive COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 ZINC000005582598 JJ Annotated Reactive CCOC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000005582797 JJ Annotated Anodyne CC1=NN(c2nc(N)nc(/C(C#N)=C/c3cccn3-c3cc(Cl)cc(Cl)c3)n2)C(C)(C)C1 ZINC000005582851 JJ Annotated Reactive N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005722450 JJ Annotated Reactive N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005722451 JJ Annotated Reactive Cc1ccc(N2C(=O)/C(=C3\Sc4c(nc(C)[nH]c4=O)N3c3ccccc3)SC2=S)cc1 ZINC000005724241 JJ Annotated Clean CCCCCC=C(c1cc(Cl)c(O)c(C(=O)NO)c1)c1cc(Cl)c(O)c(C(=O)NO)c1 ZINC000005729373 JJ Annotated Anodyne Cc1ccc(N2C(=O)/C(=C3\Sc4c(nc(C)n(C)c4=O)N3c3ccccc3)SC2=S)cc1 ZINC000005733499 JJ Annotated Clean COc1cc([C@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(C#N)cc3)[C@H]3COC(=O)N23)cc(OC)c1O ZINC000005741499 JJ Annotated Mild COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000005807971 JJ Annotated Anodyne C=C(/C=C/C=C(\CO)CCC=C(C)C)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000005810894 JJ Annotated Reactive COC(=O)C1=Cc2cn(S(=O)(=O)c3ccc(C)cc3)c3cccc(c23)[C@@H](C=C(C)C)N1C(C)=O ZINC000005811059 JJ Annotated Anodyne COC1=CC(=Nc2c(Cl)cc(Cl)cc2OC(=O)c2ccc([N+](=O)[O-])cc2)C=C(OC)C1=O ZINC000005811300 JJ Annotated Mild C[C@@H](C[C@@H]1[C@H](O)C(C)(C)C(=O)N1C(=O)C[C@@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000005812774 JJ Annotated Anodyne C[C@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000005812776 JJ Annotated Anodyne CC(=O)Oc1cc2c(cc1OCC(F)(F)F)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2=O ZINC000005822477 JJ Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3cccs3)[C@H](C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 ZINC000005822784 JJ Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3cccs3)[C@H](C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 ZINC000005822786 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C[C@@]3(CC[C@]2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000005822788 JJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C[C@]3(CC[C@]2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 ZINC000005822791 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1CC(c2ccc3ccccc3c2O)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005838609 JJ Annotated Clean CC(C)OP(=O)(OC(C)C)/C(I)=N/Nc1ccc([N+](=O)[O-])cc1 ZINC000005842446 JJ Annotated Mild N=c1c2c(ncn1N)Oc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000005846531 JJ Annotated Anodyne Cc1c(C2=NN=C(/N=N/c3c(O)cccc3O)/C2=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000005883080 JJ Annotated Clean Cc1ccc(NC(=O)CCC/C(CC(=O)c2ccc(Br)cc2)=N/NC(=O)CC#N)cc1 ZINC000005891436 JJ Annotated Reactive N#CCCNCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000005922485 JJ Annotated Mild COC(=O)c1cc2c3c(c1)Oc1cc(C(=O)OC)cc4c1C3c1c(cc(C(=O)OC)cc1O4)O2 ZINC000005922606 JJ Annotated Anodyne C/C=C\[C@@H](CC(=O)NCCc1cn(C(=O)OCc2ccccc2)c2ccccc12)CC(=O)OC ZINC000005923574 JJ Annotated Anodyne C/C=C\[C@H](CC(=O)NCCc1cn(C(=O)OCc2ccccc2)c2ccccc12)CC(=O)OC ZINC000005923576 JJ Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@@H]1CN(C(=O)OCc2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923582 JJ Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@@H]1CN(C(=O)OCc2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923585 JJ Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC[C@H]1CN(C(=O)OCc2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923587 JJ Annotated Anodyne C/C=C\[C@H](CC(=O)NCC[C@H]1CN(C(=O)OCc2ccccc2)c2ccccc21)CC(=O)OC ZINC000005923592 JJ Annotated Anodyne CC(=O)CCC[C@@H](C)[C@@H]1O[C@H]([C@@]2(C)CCC(=O)O2)C[C@H]2[C@@H](CSc3ccccc3)C(=O)O[C@@H]12 ZINC000005923680 JJ Annotated Anodyne CC(C)(Br)[C@H](Br)CC[C@]1([C@H](Br)CBr)CO1 ZINC000005941541 JJ Annotated Unstable CC(C)(Br)[C@H](Br)CC[C@@]1([C@H](Br)CBr)CO1 ZINC000005941544 JJ Annotated Unstable O=c1c2ccccc2nc(-c2cc3c(cc2Cl)Sc2nccn2S3(=O)=O)n1-c1ccccc1 ZINC000005983635 JJ Annotated Anodyne Cc1ccc2occ(CN3CCOc4ccc([C@](C)(O)COc5ccccc5)cc4C3)c(=O)c2c1 ZINC000055052761 JJ Annotated Anodyne Cc1ccc2occ(CN3CCOc4ccc([C@@](C)(O)COc5ccccc5)cc4C3)c(=O)c2c1 ZINC000055052764 JJ Annotated Anodyne COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(Cc3cn(C)nc3C)C4)cc(C)c2c1 ZINC000055089768 JJ Annotated Anodyne Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1cccn1-c1ncccn1)C2 ZINC000055120007 JJ Annotated Anodyne C[C@@](O)(COc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055211365 JJ Annotated Anodyne C[C@](O)(COc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055211366 JJ Annotated Anodyne Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)[C@H](C3=NCCN3)C2)c(Cl)c1 ZINC000055805339 JJ Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@]4(O)C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21 ZINC000056871310 JJ Annotated Anodyne in-vitro biogenic CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000058480382 JJ Annotated Anodyne CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@@H]1Nc1ccc(Br)cc1Br ZINC000058480538 JJ Annotated Clean CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\Cc3ccccc3)C(=O)[C@H]12 ZINC000058487840 JJ Annotated Anodyne CCN1C(=O)C(C)(C)COc2cc(N(CC(F)(F)F)S(=O)(=O)c3ccc(C)c(C)c3)ccc21 ZINC000584904753 JJ Annotated Anodyne CNc1ccnc(Nc2ccc3cc(C)n(-c4cc(-c5c(C)ccn(C)c5=O)cnc4Cl)c3c2)n1 ZINC000584904937 JJ Annotated Anodyne CC[C@@H]1C[C@]2(C)C=C(C)[C@H](C)C[C@]23NC(=O)C(=C3O)C(=O)[C@]2(C)[C@@H](CC[C@@H]3[C@@H](O)CCC[C@H]32)C[C@H]1O ZINC000584905139 JJ Annotated Mild CN(c1ccccc1Cl)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905643 JJ Annotated Anodyne Cc1cc(C)cc(C(=O)O/N=C/c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)c1 ZINC000058523386 JJ Annotated Mild COc1cc(F)ccc1[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCCCCC1 ZINC000058523662 JJ Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCCC(=O)[C@@]2(C)CC[C@H]1C)OC(C)=O ZINC000058533367 JJ Annotated Anodyne O=C(O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1 ZINC000058538423 JJ Annotated Anodyne COc1cc(F)ccc1[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000058538488 JJ Annotated Anodyne C[C@@H]1CN([C@H](c2ccccc2)c2ccncc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000058539357 JJ Annotated Anodyne CC(C)CN(NC(=O)c1cc(-c2ccccc2)cs1)c1nc(C#N)ncc1Br ZINC000058541371 JJ Annotated Reactive NC(=O)c1ccnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c1C(F)(F)F ZINC000058541451 JJ Annotated Anodyne CC(C)CN(NC(=O)c1ccc(-c2ccccc2)s1)c1nc(C#N)ncc1Br ZINC000058541813 JJ Annotated Reactive CCCN(c1cc(/C=C\[C@@H]2C[C@H]2C)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O ZINC000058541870 JJ Annotated Anodyne CN(CC(=O)N1CCN(c2ccc(F)c(F)c2)C[C@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000058553412 JJ Annotated Anodyne O=c1c2ccccc2cc2n1Cc1c-2nc2cccc(Cl)c2c1CNCCCn1ccnc1 ZINC000058563699 JJ Annotated Anodyne CN(CC(N)=O)[C@@H]1CC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000058565823 JJ Annotated Anodyne C[C@H](N[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000058565940 JJ Annotated Anodyne O=C(CN1CCC(O)CC1)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000058566596 JJ Annotated Anodyne CC(C)CN(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(C#N)ncc1Br ZINC000058568916 JJ Annotated Reactive CC(C)CN(NC(=O)c1ccccc1Oc1ccccc1)c1nc(C#N)ncc1Br ZINC000058569457 JJ Annotated Reactive CC(C)[C@@H](I)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F ZINC000058569568 JJ Annotated Anodyne CC(C)CN(NC(=O)c1ccc(Oc2ccccc2)cc1)c1nc(C#N)ncc1Br ZINC000058574841 JJ Annotated Reactive CC(C)CN(NC(=O)c1cccc(Oc2ccccc2)c1)c1nc(C#N)ncc1Br ZINC000058575064 JJ Annotated Reactive CCN1CCC[C@@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12 ZINC000058576083 JJ Annotated Anodyne COc1cc(/C=C2\N=C(N3CCCC3)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058581408 JJ Annotated Anodyne COC1=C(OC)C(=O)C(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O ZINC000058581443 JJ Annotated Reactive C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(-n3cccc3)cc21 ZINC000058581684 JJ Annotated Reactive Cn1cc(Cc2cccc(-c3cccc4c3OCO4)n2)c2cc(NC(=O)CC(C)(C)O)ccc21 ZINC000058582399 JJ Annotated Anodyne Cc1nc(-c2ccc([C@H](c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)cc2)cs1 ZINC000058583419 JJ Annotated Anodyne C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(-n3cccc3)cc21 ZINC000058583605 JJ Annotated Reactive COc1cc(Br)c([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1OC ZINC000058583814 JJ Annotated Reactive C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000058583861 JJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000058590111 JJ Annotated Anodyne COc1cc(/C=C2\N/C(=N\CC3CC3)N([C@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058590715 JJ Annotated Mild C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)cc2)c2ccc(F)cc21 ZINC000058590768 JJ Annotated Anodyne O=C(CNCCc1nc(C(=O)OCc2ccccc2)cc2c1[nH]c1ccccc12)OCc1ccccc1 ZINC000058591324 JJ Annotated Anodyne CC(C)CN(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1C#Cc1ccc(C(F)(F)F)cc1 ZINC000058591462 JJ Annotated Reactive C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccc(F)cc21 ZINC000058591496 JJ Annotated Anodyne Cn1cc(Cc2cccc(-c3cccc4c3OCO4)n2)c2cc(NC(=O)C(C)(C)CO)ccc21 ZINC000058591791 JJ Annotated Anodyne COc1cc(/C=C2\N/C(=N\CC3CC3)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058591876 JJ Annotated Mild C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21 ZINC000058592473 JJ Annotated Anodyne CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nc(C#N)ncc1Br ZINC000058592693 JJ Annotated Reactive c1ccc(Cn2nnnc2[C@@H](c2ccc(Oc3ccccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058592833 JJ Annotated Anodyne CCN1CCN(CCN2CCC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058592907 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)O[C@@H]1O)COS(=O)(=O)O ZINC000058594471 JJ Annotated Anodyne CC(=O)OCC[C@]1(C)[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@@H]1[C@H](C)/C=C/C(C)C ZINC000058602859 JJ Annotated Mild CCN(CC)CCNc1nc(N2CCCc3ccccc32)nc(N2CCCc3ccccc32)n1 ZINC000058603328 JJ Annotated Anodyne CN1C(=N)C([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)C(=N)N(C)C1=O ZINC000058608598 JJ Annotated Anodyne COc1ccc(S(=O)(=O)O/N=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1 ZINC000058608732 JJ Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000058608748 JJ Annotated Anodyne CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCN1CCN(C(=O)c2ccco2)CC1 ZINC000058650384 JJ Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000058677996 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000586877632 JJ Annotated Anodyne CCCC1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)CCC1 ZINC000586877830 JJ Annotated Anodyne C#CCC1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)CCCCC1 ZINC000586877927 JJ Annotated Mild Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878340 JJ Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586878342 JJ Annotated Anodyne Cc1cc(-c2nc3ncc(I)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880252 JJ Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccnc(O)c5[nH]4)c3)cc2)c1 ZINC000586881039 JJ Annotated Anodyne C=Cc1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000586882283 JJ Annotated Anodyne O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000586883931 JJ Annotated Anodyne O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000586883932 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586887222 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586887224 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586887227 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586887229 JJ Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586888639 JJ Annotated Bother CC(C)[C@](C)(O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586888651 JJ Annotated Bother O=C(O)c1cc2[nH]c([C@H](O)c3cccc(O)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586891991 JJ Annotated Bother O=C(O)c1cc2[nH]c([C@@H](O)c3cccc(O)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586891992 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586894251 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586894252 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586894253 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586894254 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586895626 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCc4cccc(O)c4)[nH]c3c2)cc1 ZINC000586895936 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 ZINC000586896739 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 ZINC000586896960 JJ Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3CC[C@H](O)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586899830 JJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 ZINC000586900069 JJ Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586900785 JJ Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586901364 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccoc3C3CC3)nc1-2 ZINC000586902377 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc5c(C=O)ccc(OC)c5o4)nc3c2)cc1 ZINC000586903649 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2c1 ZINC000586904157 JJ Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Br)ncc(Br)c4[nH]3)oc12 ZINC000586904574 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586905206 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586905207 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586905208 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586905209 JJ Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586905922 JJ Annotated Bother CC1(C)OC(=O)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586905925 JJ Annotated Bother O=C1O/C(=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c2ccccc21 ZINC000586906033 JJ Annotated Anodyne O=C1O/C(=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c2ccccc21 ZINC000586906034 JJ Annotated Anodyne O=C1O/C(=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c2ccccc21 ZINC000586906790 JJ Annotated Anodyne O=C1O/C(=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c2ccccc21 ZINC000586906791 JJ Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586906992 JJ Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586906994 JJ Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586908046 JJ Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586908048 JJ Annotated Anodyne Ic1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586908394 JJ Annotated Mild Ic1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586908395 JJ Annotated Mild O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586908679 JJ Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586908686 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1)C(F)(F)F ZINC000586909147 JJ Annotated Mild O=S(=O)(c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1)C(F)(F)F ZINC000586909151 JJ Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586909862 JJ Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586909863 JJ Annotated Mild Clc1ncc(I)c2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910337 JJ Annotated Mild Clc1ncc(I)c2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910346 JJ Annotated Mild Ic1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910637 JJ Annotated Mild Ic1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910639 JJ Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c21 ZINC000586911221 JJ Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c21 ZINC000586911223 JJ Annotated Mild Oc1ccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CCOCC2)cc1 ZINC000586912101 JJ Annotated Anodyne Oc1ccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CCOCC2)cc1 ZINC000586912536 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913193 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586913734 JJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586913735 JJ Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913853 JJ Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586914363 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586914908 JJ Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586914909 JJ Annotated Mild O=C(O)c1cc(Br)cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586915012 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000586915753 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916090 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916091 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916092 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCOc3ccc(OC)cc34)nc2c1 ZINC000586916093 JJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586916433 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586916434 JJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586916435 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586916437 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586916461 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586916462 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586916463 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@]45CCOc4ccc(OC)cc45)[nH]c3c2)cc1 ZINC000586916465 JJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(=O)oc2c1C ZINC000586917087 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C ZINC000586917094 JJ Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(=O)oc2c1C ZINC000586917099 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)nc2c1 ZINC000586917445 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccc(I)c4[nH]3)c(=O)oc2c1C ZINC000586917656 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc(C(=O)O)c4[nH]3)c(=O)oc2c1C ZINC000586917675 JJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4nc(Br)c[nH]c-4n3)c(=O)oc2c1C ZINC000586917700 JJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)c(=O)oc2c1C ZINC000586917815 JJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586917984 JJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586917989 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586917991 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586917993 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(=O)oc2c1C ZINC000586918131 JJ Annotated Clean COc1ccc2c(C)c(CCc3nc4cc(C#N)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918257 JJ Annotated Mild CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(=O)oc2c1C ZINC000586918272 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(Br)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586918296 JJ Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)ccc12 ZINC000586918544 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(=O)oc2c1C ZINC000586918551 JJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586918630 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3ccc4c(CCCC)cc(=O)oc4c3)[nH]c2c1 ZINC000586918647 JJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918723 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(Cl)c(Br)cnc4[nH]3)c(=O)oc2c1C ZINC000586918772 JJ Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)ccc12 ZINC000586918989 JJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(S)nc(S)nc4[nH]3)c(=O)oc2c1C ZINC000586919037 JJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C ZINC000586919044 JJ Annotated Bother COc1ccc2c(C)c(CCc3nc4ccc(I)cc4[nH]3)c(=O)oc2c1C ZINC000586919133 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1OC ZINC000586919556 JJ Annotated Anodyne CSc1sc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919600 JJ Annotated Anodyne CSc1sc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919776 JJ Annotated Anodyne CSc1sc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919928 JJ Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586919955 JJ Annotated Anodyne CC(C)Oc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586920006 JJ Annotated Anodyne CC(C)COc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586920048 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)nc2cc1OC ZINC000586920049 JJ Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920074 JJ Annotated Bother COC(=O)c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000586920114 JJ Annotated Anodyne CCCOc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586920175 JJ Annotated Anodyne CC(C)CCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586920192 JJ Annotated Bother CSc1sc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920249 JJ Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920286 JJ Annotated Anodyne O=S(=O)(CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920328 JJ Annotated Anodyne O=S(=O)(CCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920427 JJ Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586920431 JJ Annotated Bother O=S(=O)(CCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920613 JJ Annotated Anodyne O=S(=O)(CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920649 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 ZINC000586920699 JJ Annotated Anodyne O=S(=O)(CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920723 JJ Annotated Anodyne CCCCCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586920758 JJ Annotated Bother CSc1sc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920812 JJ Annotated Anodyne O=S(=O)(CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920853 JJ Annotated Anodyne O=S(=O)(CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920864 JJ Annotated Anodyne O=S(=O)(CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920870 JJ Annotated Anodyne O=S(=O)(CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921008 JJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cccc(I)c2[nH]1)c1ccccc1 ZINC000586921033 JJ Annotated Anodyne CCCCCOc1cc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000586921098 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586921181 JJ Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 ZINC000586921319 JJ Annotated Mild CCS(=O)(=O)c1cccc(Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1 ZINC000586921344 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 ZINC000586921403 JJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586921822 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c21 ZINC000586921831 JJ Annotated Clean O=C(O)c1cc(Br)cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586921889 JJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000586921996 JJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccccc1 ZINC000586922098 JJ Annotated Anodyne CCCCCCCCOc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586922220 JJ Annotated Mild CCS(=O)(=O)c1cccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000586922266 JJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586922626 JJ Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586922743 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3c2)cc1 ZINC000586922855 JJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)o1 ZINC000586923434 JJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)o1 ZINC000586923486 JJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)o1 ZINC000586923718 JJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)o1 ZINC000586923737 JJ Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586923770 JJ Annotated Reactive CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)o1 ZINC000586923791 JJ Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)o1 ZINC000586923804 JJ Annotated Clean COC(=O)c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586924253 JJ Annotated Anodyne COC(=O)c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586924254 JJ Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586924313 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586924324 JJ Annotated Unstable COc1cc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924341 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586924361 JJ Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(/C=C/S(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586924377 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\S(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586924379 JJ Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586924421 JJ Annotated Unstable COc1cc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924437 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586924461 JJ Annotated Unstable COc1cc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924463 JJ Annotated Unstable COc1cc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924569 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586924813 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586924836 JJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1Cl ZINC000586924921 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586925089 JJ Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000586925126 JJ Annotated Anodyne COc1cc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925244 JJ Annotated Unstable CCCCNS(=O)(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 ZINC000586925334 JJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925378 JJ Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925395 JJ Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586925467 JJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1Cl ZINC000586925521 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586925527 JJ Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586925532 JJ Annotated Anodyne COc1cc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925612 JJ Annotated Unstable Cc1cnc(Cl)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 ZINC000586925643 JJ Annotated Unstable Cc1nc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2cc1Br ZINC000586925658 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000586925680 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586925696 JJ Annotated Unstable Cc1c(Br)cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1C ZINC000586925791 JJ Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586925793 JJ Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586925802 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586925806 JJ Annotated Unstable COc1cc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925884 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586925923 JJ Annotated Unstable Cc1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2cc1[N+](=O)[O-] ZINC000586925936 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586925950 JJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000586925954 JJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1Cl ZINC000586925987 JJ Annotated Unstable COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586926003 JJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1Cl ZINC000586926027 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586926072 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000586926116 JJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1Cl ZINC000586926130 JJ Annotated Unstable COC(=O)c1cc(Cl)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 ZINC000586926184 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586926205 JJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926319 JJ Annotated Bother CCCOc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586926320 JJ Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926321 JJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1Cl ZINC000586926329 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000586926338 JJ Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586926341 JJ Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926368 JJ Annotated Bother CC(C)CCOc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1Br ZINC000586926380 JJ Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586926449 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000586926482 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000586926555 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586926580 JJ Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586926636 JJ Annotated Unstable CN(C)CCOc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926640 JJ Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(CC)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586926740 JJ Annotated Unstable COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1C ZINC000586926791 JJ Annotated Unstable COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1F ZINC000586926845 JJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926876 JJ Annotated Bother O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000586926889 JJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926938 JJ Annotated Bother CS(=O)(=O)c1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926940 JJ Annotated Clean CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586926946 JJ Annotated Anodyne CCc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926995 JJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(I)c3[nH]2)c1Cl ZINC000586927052 JJ Annotated Unstable COc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1C ZINC000586927156 JJ Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927186 JJ Annotated Bother CC(C)Oc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586927216 JJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 ZINC000586927251 JJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1Cl ZINC000586927288 JJ Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl ZINC000586927313 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000586927320 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586927344 JJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000586927356 JJ Annotated Unstable COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1OC ZINC000586927388 JJ Annotated Unstable O=C(O)c1cc(Br)cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586927471 JJ Annotated Unstable O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1F ZINC000586927475 JJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1Cl ZINC000586927546 JJ Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1Cl ZINC000586927578 JJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927680 JJ Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586927777 JJ Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927781 JJ Annotated Bother CC(C)COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cc1Br ZINC000586927817 JJ Annotated Anodyne Cc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927995 JJ Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928202 JJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 ZINC000586928394 JJ Annotated Unstable CN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928466 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586928472 JJ Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928486 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000586928498 JJ Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928514 JJ Annotated Anodyne CCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586928543 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000586928563 JJ Annotated Anodyne CC(C)Oc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586928592 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC)c(Cl)cc3[nH]2)c1 ZINC000586928637 JJ Annotated Anodyne CC(C)COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586928700 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000586928729 JJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000586928766 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000586928781 JJ Annotated Anodyne CN(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928788 JJ Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1Cl ZINC000586928795 JJ Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586928855 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000586928874 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000586928928 JJ Annotated Anodyne CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929219 JJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586929259 JJ Annotated Anodyne CCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586929347 JJ Annotated Anodyne CN(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929387 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586929478 JJ Annotated Anodyne CN(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929596 JJ Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929599 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000586929606 JJ Annotated Mild CN(Cc1nc2c(Br)ccc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929618 JJ Annotated Anodyne CN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929661 JJ Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br ZINC000586929676 JJ Annotated Mild CN(Cc1nc2cc(Br)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929683 JJ Annotated Anodyne CN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929722 JJ Annotated Anodyne CCCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586929726 JJ Annotated Mild CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586929795 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000586929889 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1 ZINC000586929983 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(SC)cc3[nH]2)c1 ZINC000586930137 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586930256 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)cc1 ZINC000586930263 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cc1 ZINC000586930377 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)cc1 ZINC000586930423 JJ Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586930850 JJ Annotated Reactive C=CCc1cccc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c12 ZINC000586931011 JJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000586931018 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnc4ccccc4c3[nH]2)c1 ZINC000586931032 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 ZINC000586931152 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000586931161 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586931185 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2)cc1 ZINC000586931281 JJ Annotated Mild Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cc1 ZINC000586931312 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cc1 ZINC000586931368 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)cc1 ZINC000586931387 JJ Annotated Anodyne CCCCCOc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586931457 JJ Annotated Anodyne CC(C)CCOc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586931493 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)nc2c1 ZINC000586931573 JJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)cc1 ZINC000586931622 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586932139 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586932140 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586932195 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586932197 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586932402 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586932405 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586932611 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586932612 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586932635 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586932636 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(C)C ZINC000586932866 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(C)C ZINC000586932867 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C(C)C ZINC000586933068 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)C(C)C ZINC000586933070 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)C(C)C ZINC000586933123 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C(C)C ZINC000586933125 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)C ZINC000586933254 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)C ZINC000586933255 JJ Annotated Anodyne CCCCOc1cc2nc([C@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2cc1Br ZINC000586933264 JJ Annotated Anodyne CCCCOc1cc2nc([C@@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2cc1Br ZINC000586933265 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C ZINC000586933369 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C ZINC000586933371 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C ZINC000586933505 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C ZINC000586933506 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586933637 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586933638 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(C)C ZINC000586933851 JJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(C)C ZINC000586933852 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586934430 JJ Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586934431 JJ Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586934606 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586934621 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586934672 JJ Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586934674 JJ Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586934793 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586934796 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586934844 JJ Annotated Clean CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586934846 JJ Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586935087 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586935101 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 ZINC000586935236 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586935237 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 ZINC000586935240 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586935250 JJ Annotated Anodyne COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Cl ZINC000586935345 JJ Annotated Anodyne COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Cl ZINC000586935346 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586935380 JJ Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586935382 JJ Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586935494 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586935495 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586935785 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586935786 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(Br)c2[nH]1 ZINC000586935832 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(Br)c2[nH]1 ZINC000586935833 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586935970 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586935971 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586935984 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586935986 JJ Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)CC)cc3)nc2cc1Br ZINC000586936305 JJ Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N[C@@H](C)CC)cc3)nc2cc1Br ZINC000586936306 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586936331 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586936332 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586936343 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586936346 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586936370 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586936380 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586936480 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586936481 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586936535 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586936536 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586936670 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586936671 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586936693 JJ Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586936694 JJ Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586936740 JJ Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586936744 JJ Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586936896 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586936902 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586937256 JJ Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586937258 JJ Annotated Bother Cc1c(Br)ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 ZINC000586937322 JJ Annotated Anodyne Cc1c(Br)ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 ZINC000586937325 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586937334 JJ Annotated Reactive COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586937348 JJ Annotated Reactive COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586937350 JJ Annotated Reactive COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586937353 JJ Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586937639 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586937640 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586937690 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586937694 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586937706 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586937708 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586937720 JJ Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586937722 JJ Annotated Mild Cc1cc(Br)cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 ZINC000586937730 JJ Annotated Anodyne Cc1cc(Br)cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 ZINC000586937732 JJ Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br ZINC000586937926 JJ Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586938030 JJ Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586938032 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586938044 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586938046 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586938067 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586938069 JJ Annotated Anodyne CCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586938127 JJ Annotated Anodyne CCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586938128 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586938295 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586938298 JJ Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586938399 JJ Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586938400 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)cc2[nH]1 ZINC000586938532 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)cc2[nH]1 ZINC000586938535 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586938562 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586938564 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586938591 JJ Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586938601 JJ Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586938774 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586938777 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586939028 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586939029 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586939033 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586939037 JJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586939169 JJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586939170 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586939260 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586939262 JJ Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c1 ZINC000586939467 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586939509 JJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586939510 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586939547 JJ Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586939548 JJ Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586939559 JJ Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586939560 JJ Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586939859 JJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586939860 JJ Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586940835 JJ Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586940836 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586940884 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586940885 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586940886 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586940887 JJ Annotated Anodyne CCCCOc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1Br ZINC000586940932 JJ Annotated Anodyne CCCCOc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1Br ZINC000586940933 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586941302 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586941309 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586941342 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586941343 JJ Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000586941351 JJ Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586941449 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586941463 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586941479 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586941480 JJ Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941590 JJ Annotated Bother O=S(=O)(NCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(Br)s1 ZINC000586941628 JJ Annotated Anodyne O=S(=O)(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586941654 JJ Annotated Reactive Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586941751 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586941754 JJ Annotated Anodyne CCCOc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1Br ZINC000586941802 JJ Annotated Anodyne CCCOc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1Br ZINC000586941804 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586941822 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586941823 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586941833 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586941835 JJ Annotated Anodyne CCCCCCCCOc1cc2nc(CCCNS(=O)(=O)CC)[nH]c2cc1Br ZINC000586941876 JJ Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CNS(=O)(=O)/C=C/c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586941963 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNS(=O)(=O)/C=C\c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000586941964 JJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586941995 JJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586941996 JJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3c2)cc1 ZINC000586942443 JJ Annotated Clean O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)s1 ZINC000586942591 JJ Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586942683 JJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942710 JJ Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586942836 JJ Annotated Reactive O=S(=O)(NCCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943086 JJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943319 JJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943324 JJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943383 JJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943481 JJ Annotated Anodyne Cc1c(Br)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1C ZINC000586943543 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)cc1 ZINC000586943616 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)cc1 ZINC000586943623 JJ Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586943971 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)cc1 ZINC000586944192 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cc(C)cc4[nH]3)cc2)cc1 ZINC000586944240 JJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncc[nH]c-3n2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944608 JJ Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000586944774 JJ Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 ZINC000586944811 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc1 ZINC000586944847 JJ Annotated Anodyne CCCCCOc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Br ZINC000586944937 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)cc1 ZINC000586944959 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586944975 JJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncncc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945138 JJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2)cc1 ZINC000586945176 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945206 JJ Annotated Bother Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586945211 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945239 JJ Annotated Bother Cc1c(Br)ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945245 JJ Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1C(F)(F)F ZINC000586945287 JJ Annotated Mild O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586945317 JJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586945336 JJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586945345 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586945395 JJ Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cccc(Br)c2[nH]1 ZINC000586945460 JJ Annotated Anodyne Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586945467 JJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586945487 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586945504 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586945555 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586945564 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586945578 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586945581 JJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586945587 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586945589 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586945623 JJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3c2)cc1 ZINC000586945708 JJ Annotated Clean O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586945725 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945778 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945779 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586945793 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945846 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945854 JJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946055 JJ Annotated Anodyne Cc1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946075 JJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586946121 JJ Annotated Anodyne CCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586946206 JJ Annotated Anodyne Cc1c(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1C ZINC000586946231 JJ Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586946280 JJ Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586946281 JJ Annotated Anodyne CC(C)Oc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586946421 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586946452 JJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586946505 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586946600 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586946617 JJ Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586946833 JJ Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)c1C ZINC000586946942 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586947193 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586947194 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586947213 JJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586947214 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586947247 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586947248 JJ Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947518 JJ Annotated Reactive Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)c1C ZINC000586947644 JJ Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2cc1Br ZINC000586947681 JJ Annotated Mild CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586947718 JJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586947890 JJ Annotated Bother Nc1nc(Cl)c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2n1 ZINC000586948008 JJ Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586948130 JJ Annotated Clean O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(O)nccc3[nH]2)cc1 ZINC000586948162 JJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000586948374 JJ Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cnccc3[nH]2)ccc1Cl ZINC000586948402 JJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586948461 JJ Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586948493 JJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586948737 JJ Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586948789 JJ Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000586948882 JJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586948930 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586949117 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586949150 JJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000586949314 JJ Annotated Anodyne Nc1ccnc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c12 ZINC000586949330 JJ Annotated Anodyne CCCCCOc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br ZINC000586949417 JJ Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586949421 JJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586949451 JJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586949504 JJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586949510 JJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586949579 JJ Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C)cc(F)c3[nH]2)cc1 ZINC000586949645 JJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586949650 JJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586949666 JJ Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(F)c3[nH]2)cc1 ZINC000586949706 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586949730 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949799 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949893 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3)c1ccc2c(c1)OCCO2 ZINC000586949904 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cccc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949934 JJ Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586950000 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950019 JJ Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Br ZINC000586950259 JJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950345 JJ Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)cc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950381 JJ Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950415 JJ Annotated Anodyne CCCCCOc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Br ZINC000586950423 JJ Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c32)n1 ZINC000586950439 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950527 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950552 JJ Annotated Anodyne O=S(=O)(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950600 JJ Annotated Bother O=S(=O)(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950613 JJ Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)c(C)c1C ZINC000586950626 JJ Annotated Bother Cc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586950675 JJ Annotated Anodyne O=S(=O)(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950678 JJ Annotated Anodyne Cc1cc(Br)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950679 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000586950884 JJ Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586950918 JJ Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950953 JJ Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)c(C)c1C ZINC000586950968 JJ Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950975 JJ Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Br ZINC000586951041 JJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586951135 JJ Annotated Bother O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586951155 JJ Annotated Bother Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c3c2)cc1 ZINC000586951172 JJ Annotated Clean O=S(=O)(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951190 JJ Annotated Bother Cc1c(Br)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1C ZINC000586951231 JJ Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)cc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951249 JJ Annotated Anodyne Cc1c(Br)ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951261 JJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3c2)cc1 ZINC000586951329 JJ Annotated Clean O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000586951511 JJ Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1C ZINC000586951617 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586951642 JJ Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951691 JJ Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951769 JJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000586951780 JJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586951811 JJ Annotated Anodyne Cc1c(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1C ZINC000586951857 JJ Annotated Anodyne CCCCCOc1cc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c2cc1Br ZINC000586951874 JJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(C#N)cc5[nH]4)c3c2)cc1 ZINC000586952033 JJ Annotated Mild CC(C)CCOc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586952049 JJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(C)nc(C)cc5[nH]4)c3c2)cc1 ZINC000586952183 JJ Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586952236 JJ Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586952315 JJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5ncc(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586952378 JJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cnc(Cl)cc5[nH]4)[nH]c23)cc1 ZINC000586952389 JJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cnc(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586952422 JJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(F)c([N+](=O)[O-])cc5[nH]4)[nH]c23)cc1 ZINC000586952427 JJ Annotated Bother CCCCCOc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1Br ZINC000586952445 JJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586952466 JJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586952721 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586952750 JJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586952837 JJ Annotated Bother Nc1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3c2)cc1 ZINC000586952853 JJ Annotated Clean COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(F)c(OC)cc5[nH]4)[nH]c23)cc1 ZINC000586952908 JJ Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(C#N)c5[nH]4)c3c2)cc1 ZINC000586952911 JJ Annotated Mild CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(C)c5[nH]4)c3c2)cc1 ZINC000586952960 JJ Annotated Anodyne CCCCCOc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586953235 JJ Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586953256 JJ Annotated Anodyne CCCCOc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586953559 JJ Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc6c(cc5[nH]4)OCCCO6)[nH]c23)cc1 ZINC000586953705 JJ Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586953762 JJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586953846 JJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586953891 JJ Annotated Bother Cc1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2cc1[N+](=O)[O-] ZINC000586954102 JJ Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2N)C1 ZINC000586954282 JJ Annotated Reactive CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)cc1 ZINC000586954356 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(OC(C)C)c(Br)cc4[nH]3)CC2)cc1 ZINC000586954374 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)cc1 ZINC000586954382 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)c(Cl)cnc4[nH]3)CC2)cc1 ZINC000586954411 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 ZINC000586954436 JJ Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586954525 JJ Annotated Reactive CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)cc1 ZINC000586954527 JJ Annotated Bother Cc1nc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2cc1Br ZINC000586954539 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)cc1 ZINC000586954675 JJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954699 JJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 ZINC000586954700 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C#N)cc(Br)c4[nH]3)CC2)cc1 ZINC000586954704 JJ Annotated Mild O=S(=O)(c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954730 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)cc1 ZINC000586954742 JJ Annotated Bother N#Cc1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586954744 JJ Annotated Mild CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)cc1 ZINC000586954813 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12 ZINC000586954860 JJ Annotated Anodyne Cc1nc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2cc1Br ZINC000586954862 JJ Annotated Anodyne COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1F ZINC000586954870 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(F)cnc(Br)c4[nH]3)CC2)cc1 ZINC000586954906 JJ Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1C ZINC000586954918 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1Cl ZINC000586955037 JJ Annotated Bother O=S(=O)(c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Cl)N1CCc2ccccc21 ZINC000586955231 JJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955297 JJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586955330 JJ Annotated Mild Cc1c(Br)cnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000586955333 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1)N1CCC1 ZINC000586955384 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)cnc4[nH]3)CC2)cc1 ZINC000586955509 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 ZINC000586955605 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)cnc(Cl)c4[nH]3)CC2)cc1 ZINC000586955633 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c(O)c4[nH]3)CC2)cc1 ZINC000586955637 JJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955642 JJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955729 JJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)[nH]c3c2)cc1 ZINC000586955753 JJ Annotated Clean Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC2)cc1 ZINC000586955891 JJ Annotated Clean CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC2)cc1 ZINC000586955905 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1F ZINC000586955945 JJ Annotated Bother O=S(=O)(c1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955974 JJ Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956006 JJ Annotated Mild O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956036 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1)N1CCC1 ZINC000586956138 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1)N1CCC1 ZINC000586956159 JJ Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1)N1CCC1 ZINC000586956219 JJ Annotated Anodyne Cc1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2cc1[N+](=O)[O-] ZINC000586956227 JJ Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586956260 JJ Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956281 JJ Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956290 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586956316 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000586956334 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586956337 JJ Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586956347 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586956396 JJ Annotated Anodyne O=C1CCc2cc3nc(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)[nH]c3cc2N1 ZINC000586956398 JJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl)N1CCc2ccccc21 ZINC000586956402 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586956408 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(SC)cc2[nH]1 ZINC000586956449 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586956468 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586956490 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586956520 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586956521 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586956538 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586956633 JJ Annotated Mild CN(C)CCOc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956644 JJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956659 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586956698 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586956740 JJ Annotated Bother COc1cc(OC)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586956757 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586956758 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586956828 JJ Annotated Anodyne COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1C ZINC000586956858 JJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586956876 JJ Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956891 JJ Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586956901 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1N ZINC000586957673 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1N ZINC000586957676 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957706 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957708 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957710 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957711 JJ Annotated Anodyne O=[S@](CCCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957735 JJ Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957738 JJ Annotated Anodyne O=[S@](CCCc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957803 JJ Annotated Anodyne O=[S@@](CCCc1nc2ccc(I)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957809 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586957827 JJ Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586957830 JJ Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586957831 JJ Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586957832 JJ Annotated Bother O=[S@](CCCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958037 JJ Annotated Anodyne O=[S@@](CCCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958040 JJ Annotated Anodyne Cc1nc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2cc1Br ZINC000586958159 JJ Annotated Anodyne Cc1nc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2cc1Br ZINC000586958163 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000586958224 JJ Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958574 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958582 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958583 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958589 JJ Annotated Anodyne O=[S@](CCCc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1 ZINC000586958724 JJ Annotated Anodyne O=[S@@](CCCc1nc2cccc(I)c2[nH]1)c1ccc(Br)cc1 ZINC000586958727 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]2CCCC[C@@H]21 ZINC000586958815 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]2CCCC[C@@H]21 ZINC000586958817 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]2CCCC[C@H]21 ZINC000586958818 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]2CCCC[C@H]21 ZINC000586958820 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586959066 JJ Annotated Mild O=[S@](CCCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586959139 JJ Annotated Anodyne O=[S@@](CCCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586959142 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959388 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959393 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959394 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959397 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959435 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959437 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959439 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959441 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586959473 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586959477 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586959478 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586959481 JJ Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959590 JJ Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959593 JJ Annotated Anodyne O=[S@](CCCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586959639 JJ Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586959640 JJ Annotated Anodyne O=[S@](CCCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586959685 JJ Annotated Anodyne O=[S@@](CCCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586959687 JJ Annotated Anodyne N#Cc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1C(F)(F)F ZINC000586959744 JJ Annotated Mild N#Cc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1C(F)(F)F ZINC000586959749 JJ Annotated Mild O=[S@@](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586959787 JJ Annotated Anodyne O=[S@](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586959791 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc12 ZINC000586959834 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc12 ZINC000586959835 JJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586959857 JJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586959902 JJ Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1Br ZINC000586959908 JJ Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1Br ZINC000586959910 JJ Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1Br ZINC000586959912 JJ Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1Br ZINC000586959914 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586960295 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586960299 JJ Annotated Mild C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586960336 JJ Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586960341 JJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000586960397 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960727 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960732 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960734 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960735 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586960930 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586960933 JJ Annotated Anodyne O=[S@](CCCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586961010 JJ Annotated Anodyne O=[S@@](CCCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586961014 JJ Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586961030 JJ Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586961041 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961103 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961104 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961105 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961106 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961130 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961131 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961132 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961135 JJ Annotated Anodyne O=[S@](Cc1nc2cc(I)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961311 JJ Annotated Anodyne O=[S@@](Cc1nc2cc(I)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961316 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961473 JJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961475 JJ Annotated Bother O=[S@](CCCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586961497 JJ Annotated Anodyne O=[S@@](CCCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586961499 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961507 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961513 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961515 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961518 JJ Annotated Anodyne O=[S@](CCCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586961582 JJ Annotated Anodyne O=[S@@](CCCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586961584 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c21 ZINC000586961605 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c21 ZINC000586961615 JJ Annotated Clean COC(=O)c1cc(Cl)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586961652 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586961653 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961789 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961791 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961792 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961793 JJ Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586961832 JJ Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586961839 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586961878 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586961880 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586961882 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586961885 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961928 JJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961929 JJ Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000586962201 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962239 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962240 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962241 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962242 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H]2CCCC[C@H]21 ZINC000586962386 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000586962392 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000586962397 JJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000586962401 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586962768 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586962772 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586962776 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586962778 JJ Annotated Mild Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1Cl ZINC000586962812 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Cl ZINC000586963014 JJ Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586963035 JJ Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586963036 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CC)Sc3nc(C)cc(O)n3)nc2c1 ZINC000586963083 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)Sc3nc(C)cc(O)n3)nc2c1 ZINC000586963084 JJ Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586963087 JJ Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586963088 JJ Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586963249 JJ Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br ZINC000586963250 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586963320 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Cl ZINC000586963357 JJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586963380 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc12 ZINC000586963480 JJ Annotated Anodyne Cc1nc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2cc1Br ZINC000586963515 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Cl ZINC000586963531 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1Cl ZINC000586963692 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Cl ZINC000586963753 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586963964 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Cl ZINC000586963975 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586963998 JJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(N)ncc3[nH]2)cc1 ZINC000586964046 JJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)ccc1Cl ZINC000586964189 JJ Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccnc(N)c3[nH]2)cc1 ZINC000586964264 JJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586964413 JJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586964466 JJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586964594 JJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586964698 JJ Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(=O)NN)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964768 JJ Annotated Reactive CC(C)Cn1c(SCc2nc3c(O)nc(S)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964811 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586964846 JJ Annotated Anodyne CC(C)Cn1c(SCc2nc3nc(C#N)c(C#N)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964908 JJ Annotated Mild O=C1COc2cc3[nH]c(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)nc3cc2N1 ZINC000586964927 JJ Annotated Anodyne CC(C)Cn1c(SCc2nc3cnnc(O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965002 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965034 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)n2C)cc1 ZINC000586965055 JJ Annotated Bother Cc1ccc(-c2nnc(SCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)n2C)cc1 ZINC000586965102 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 ZINC000586965144 JJ Annotated Mild CC(C)Cn1c(SCc2nc3c(O)ncnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965377 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4ccccc4C#N)[nH]c3c2)cc1 ZINC000586965418 JJ Annotated Mild CCCOc1cc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2cc1Br ZINC000586965436 JJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586965507 JJ Annotated Anodyne CC(C)Cn1c(SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965548 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(C)cc4)n3C)nc2c1 ZINC000586965584 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)c(F)c(F)c4[nH]3)n2C)cc1 ZINC000586965596 JJ Annotated Anodyne Oc1c(Br)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965604 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cccc(I)c4[nH]3)n2C)cc1 ZINC000586965647 JJ Annotated Anodyne Cc1nc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1Br ZINC000586965712 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(Br)cnc(Br)c4[nH]3)n2C)cc1 ZINC000586965714 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(C)cc4)n3C)nc2c1 ZINC000586965732 JJ Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586965757 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586965864 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(I)cnc(Cl)c4[nH]3)n2C)cc1 ZINC000586965884 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(I)cc4[nH]3)n2C)cc1 ZINC000586965901 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586965902 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 ZINC000586965998 JJ Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586966002 JJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)n2C)cc1 ZINC000586966029 JJ Annotated Clean Cc1ccc(-n2ccnc2SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)c1 ZINC000586966152 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc1-2 ZINC000586966168 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966321 JJ Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586966338 JJ Annotated Anodyne COC(=O)c1cc2nc(CSc3ncccc3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586966339 JJ Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(I)cnc3[nH]2)c(C)c1 ZINC000586966363 JJ Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br ZINC000586966383 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 ZINC000586966400 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 ZINC000586966445 JJ Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586966450 JJ Annotated Anodyne COC(=O)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586966621 JJ Annotated Anodyne Ic1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966680 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1)C(F)(F)F ZINC000586966713 JJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)n1 ZINC000586966714 JJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1Cl ZINC000586966786 JJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586966802 JJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)c(O)c3[nH]2)cc1Cl ZINC000586966863 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1 ZINC000586966910 JJ Annotated Anodyne Brc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586966911 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966946 JJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)n1 ZINC000586967121 JJ Annotated Anodyne Ic1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586967154 JJ Annotated Anodyne Brc1ccc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967408 JJ Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967489 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc4ccccc4c3[nH]2)C[C@H](C)O1 ZINC000586967497 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc4ccccc4c3[nH]2)C[C@@H](C)O1 ZINC000586967498 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnc4ccccc4c3[nH]2)C[C@@H](C)O1 ZINC000586967499 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc12 ZINC000586967578 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000586967580 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000586967581 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1C=O ZINC000586967585 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000586967597 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc12 ZINC000586967599 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000586967601 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586967619 JJ Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 ZINC000586967620 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967621 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967622 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586967691 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)nc(C#N)c3[nH]2)c1C=O ZINC000586967698 JJ Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H](C)O1 ZINC000586967758 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H](C)O1 ZINC000586967759 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H](C)O1 ZINC000586967760 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cnc3[nH]2)C[C@@H](C)O1 ZINC000586967766 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cnc3[nH]2)C[C@@H](C)O1 ZINC000586967767 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cnc3[nH]2)C[C@H](C)O1 ZINC000586967768 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586967796 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586967797 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586967798 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5ncccc5C(=O)O)[nH]c4c3)o2)cc1 ZINC000586967802 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)c(F)c(F)c3[nH]2)C[C@H](C)O1 ZINC000586967830 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586967833 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586967834 JJ Annotated Anodyne COc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1OC ZINC000586967845 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2cc1OC ZINC000586967856 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1C=O ZINC000586967865 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1C=O ZINC000586967869 JJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Cl ZINC000586967895 JJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(F)cnc(Br)c3[nH]2)cc1Cl ZINC000586967901 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C=O ZINC000586967941 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586967974 JJ Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586967975 JJ Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000586967976 JJ Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)nc3[nH]2)C[C@@H](C)O1 ZINC000586968012 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)nc3[nH]2)C[C@@H](C)O1 ZINC000586968013 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)nc3[nH]2)C[C@H](C)O1 ZINC000586968014 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)cc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968020 JJ Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968021 JJ Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968022 JJ Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968029 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968030 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968031 JJ Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586968037 JJ Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586968038 JJ Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586968039 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1C=O ZINC000586968068 JJ Annotated Anodyne COC(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968087 JJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968089 JJ Annotated Anodyne COC(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1OC ZINC000586968098 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C=O ZINC000586968105 JJ Annotated Bother Cc1nc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2cc1Br ZINC000586968120 JJ Annotated Anodyne Cc1nc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2cc1Br ZINC000586968121 JJ Annotated Anodyne Cc1nc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2cc1Br ZINC000586968122 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586968162 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586968164 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H](C)O1 ZINC000586968166 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968186 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968189 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968191 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1C=O ZINC000586968192 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(OCCN(C)C)cc3[nH]2)c1C=O ZINC000586968336 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)ncc3[nH]2)C[C@@H](C)O1 ZINC000586968340 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)ncc3[nH]2)C[C@@H](C)O1 ZINC000586968341 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)ncc3[nH]2)C[C@H](C)O1 ZINC000586968342 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1C=O ZINC000586968391 JJ Annotated Anodyne COC(=O)c1cccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c12 ZINC000586968396 JJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1Cl ZINC000586968450 JJ Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586968471 JJ Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4c(cc3[nH]2)OCCO4)c1C=O ZINC000586968524 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1C=O ZINC000586968550 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586968604 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586968607 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586968608 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C=O ZINC000586968678 JJ Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586968689 JJ Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1C=O ZINC000586968947 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4ncccc4c3[nH]2)C[C@H](C)O1 ZINC000586968997 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4ncccc4c3[nH]2)C[C@@H](C)O1 ZINC000586968999 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4ncccc4c3[nH]2)C[C@@H](C)O1 ZINC000586969001 JJ Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1F ZINC000586969015 JJ Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1F ZINC000586969020 JJ Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1F ZINC000586969024 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H](C)O1 ZINC000586969027 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H](C)O1 ZINC000586969028 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H](C)O1 ZINC000586969031 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)ccnc3[nH]2)C[C@@H](C)O1 ZINC000586969109 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)ccnc3[nH]2)C[C@@H](C)O1 ZINC000586969111 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)ccnc3[nH]2)C[C@H](C)O1 ZINC000586969113 JJ Annotated Anodyne Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC000586969138 JJ Annotated Bother Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC000586969144 JJ Annotated Bother Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC000586969145 JJ Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H](C)O1 ZINC000586969283 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H](C)O1 ZINC000586969284 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H](C)O1 ZINC000586969285 JJ Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3cccc[n+]3[O-])[nH]c12 ZINC000586969546 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)cnc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586969619 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969620 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969621 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H](C)O1 ZINC000586969662 JJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H](C)O1 ZINC000586969663 JJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H](C)O1 ZINC000586969664 JJ Annotated Anodyne Cc1ccc(NC(=O)CSCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586970610 JJ Annotated Clean COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586970922 JJ Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586970924 JJ Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586971249 JJ Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586971250 JJ Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1 ZINC000586972529 JJ Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586973034 JJ Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586973038 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1 ZINC000586973055 JJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 ZINC000586974015 JJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 ZINC000586974019 JJ Annotated Reactive N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(Br)c2[nH]1 ZINC000586974093 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000586974486 JJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000586974493 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\CBr)[nH]c2c1 ZINC000586974648 JJ Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/CBr)[nH]c2c1 ZINC000586974649 JJ Annotated Reactive CCCOc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586974731 JJ Annotated Anodyne CCCOc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586974733 JJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1OC ZINC000586974758 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1OC ZINC000586974761 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CSCc3ccccc3)NC(C)=O)nc2c1 ZINC000586974969 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CSCc3ccccc3)NC(C)=O)nc2c1 ZINC000586974970 JJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1OC ZINC000586974977 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1OC ZINC000586974980 JJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC ZINC000586974998 JJ Annotated Clean COc1cc(Br)c([C@@H](N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC ZINC000586974999 JJ Annotated Clean COc1cc(Br)c([C@H](N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1OC ZINC000586975010 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1OC ZINC000586975011 JJ Annotated Anodyne N=c1[nH]c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc-2c(Cl)[nH]1 ZINC000586975152 JJ Annotated Mild COc1cc(Br)c([C@H](N)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1OC ZINC000586975339 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1OC ZINC000586975340 JJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1OC ZINC000586975368 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586975375 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1OC ZINC000586975572 JJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC ZINC000586975669 JJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC ZINC000586975670 JJ Annotated Anodyne Cc1cc(Cc2nc3c(I)cnc(Cl)c3[nH]2)ccc1Br ZINC000586975872 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 ZINC000586976135 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 ZINC000586976138 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586976357 JJ Annotated Anodyne Clc1ccc(OCc2nc3cc(I)cnc3[nH]2)c(Br)c1 ZINC000586976480 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(COc3ccc(Cl)cc3Br)nc-2[nH]1 ZINC000586976512 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586976609 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586976698 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1)C(F)(F)F ZINC000586976720 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586976774 JJ Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2n1 ZINC000586976874 JJ Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Cl ZINC000586976950 JJ Annotated Anodyne N=c1[nH]cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2[nH]1 ZINC000586977050 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000586977369 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc(Br)c1OC ZINC000586977419 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc(Br)c1OC ZINC000586977421 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc(Br)c1OC ZINC000586977735 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc(Br)c1OC ZINC000586977737 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586977803 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Br)c1OC ZINC000586977813 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Br)c1OC ZINC000586977818 JJ Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Br ZINC000586977870 JJ Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Br ZINC000586977873 JJ Annotated Anodyne COc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)ccc1Br ZINC000586977887 JJ Annotated Anodyne COc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)ccc1Br ZINC000586977890 JJ Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978108 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586978119 JJ Annotated Bother COc1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Br ZINC000586978205 JJ Annotated Anodyne COc1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Br ZINC000586978209 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 ZINC000586978301 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 ZINC000586978302 JJ Annotated Anodyne CSc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586978320 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586978381 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(Br)c1OC ZINC000586978396 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(Br)c1OC ZINC000586978397 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586978411 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586978436 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586978437 JJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586978438 JJ Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586978443 JJ Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Cl ZINC000586978455 JJ Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978456 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586978464 JJ Annotated Anodyne C=CCc1cccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978475 JJ Annotated Mild CC(C)Oc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586978480 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586978510 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586978513 JJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586978525 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978551 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978552 JJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c32)n1 ZINC000586978585 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc(Br)c1OC ZINC000586978595 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc(Br)c1OC ZINC000586978596 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)c1OC ZINC000586978613 JJ Annotated Bother CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)c1OC ZINC000586978614 JJ Annotated Bother CCOc1cc(/C=C/c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(Br)c1OC ZINC000586978628 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(Br)c1OC ZINC000586978629 JJ Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586978673 JJ Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 ZINC000586978709 JJ Annotated Anodyne Cc1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1Br ZINC000586978734 JJ Annotated Anodyne Cc1nn(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1Br ZINC000586978746 JJ Annotated Anodyne Cc1nn(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br ZINC000586978761 JJ Annotated Anodyne Cc1nn(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)c1Br ZINC000586978799 JJ Annotated Anodyne Cc1nn(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586978831 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)cc1 ZINC000586978931 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc(C)c(Br)c4C)[nH]c3c2)cc1 ZINC000586978932 JJ Annotated Anodyne Cc1nn(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586978941 JJ Annotated Anodyne Cc1nn(Cc2nc3c(Br)ccc(Br)c3[nH]2)c(C)c1Br ZINC000586978992 JJ Annotated Anodyne Cc1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C)c1Br ZINC000586979005 JJ Annotated Anodyne Cc1nn(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br ZINC000586979069 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1Br ZINC000586979083 JJ Annotated Anodyne Clc1nccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Br ZINC000586979105 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1Br ZINC000586979143 JJ Annotated Anodyne Cc1nn(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979152 JJ Annotated Anodyne Cc1nn(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586979162 JJ Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979310 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C)c(Br)c4C)[nH]c3c2)cc1 ZINC000586979313 JJ Annotated Anodyne Cc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979322 JJ Annotated Bother Cc1nn(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979327 JJ Annotated Anodyne Cc1nn(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)c1Br ZINC000586979345 JJ Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586979355 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C)c(Br)c5C)[nH]c4c3)o2)cc1 ZINC000586979412 JJ Annotated Anodyne N#Cc1nc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2nc1C#N ZINC000586979413 JJ Annotated Mild Cc1nn(Cc2nc3cc(Br)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979457 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000586979469 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000586979471 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1Br ZINC000586979476 JJ Annotated Anodyne Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Br)cc1[N+](=O)[O-] ZINC000586979487 JJ Annotated Clean COc1cc(Br)cc(C=O)c1OCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586979558 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Br ZINC000586979579 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1Br ZINC000586979601 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000586979612 JJ Annotated Anodyne Clc1nccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1Br ZINC000586979615 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1Br ZINC000586979638 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979654 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1Br ZINC000586979699 JJ Annotated Anodyne Cc1c(-c2nc3ccc(I)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979703 JJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000586979733 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586979786 JJ Annotated Clean CCOc1n[nH]c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1Br ZINC000586979871 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1Br ZINC000586979912 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1Br ZINC000586979937 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1Br ZINC000586979982 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586980035 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586980038 JJ Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586980071 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586980084 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586980106 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586980120 JJ Annotated Anodyne Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980181 JJ Annotated Bother Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980193 JJ Annotated Bother Cc1c(-c2nc3cccc(I)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980195 JJ Annotated Bother CCOc1n[nH]c(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1Br ZINC000586980205 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)c1Br ZINC000586980222 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 ZINC000586980236 JJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586980291 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586980378 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586980389 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586980465 JJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586980479 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586980554 JJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586980624 JJ Annotated Bother CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586980798 JJ Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586981055 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccc(Br)cc3C)nc2c1 ZINC000586981266 JJ Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cccn4-c4ccc(Br)cc4C)nc3c2)NNC(=O)C1 ZINC000586981474 JJ Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000586981537 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3c2)cc1 ZINC000586981753 JJ Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586981939 JJ Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586981958 JJ Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586981959 JJ Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586982299 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 ZINC000586982438 JJ Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586982517 JJ Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586982519 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586983779 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586983831 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586983832 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586983836 JJ Annotated Clean Fc1cnc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586983871 JJ Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586983873 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000586983950 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586983961 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586983966 JJ Annotated Bother CC(=O)N[C@@H](Cc1nc2ccc(Br)c(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586984062 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)c(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586984064 JJ Annotated Anodyne O=C1COc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(Br)cc2N1 ZINC000586984084 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984115 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984116 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 ZINC000586984203 JJ Annotated Bother CC(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 ZINC000586984205 JJ Annotated Bother O=C(O)Cc1c(-c2cc(Br)ccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984394 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984564 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984565 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984586 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984588 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586984617 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586984620 JJ Annotated Anodyne Brc1ccc([C@@H](c2nc3cc(I)cnc3[nH]2)N2CCCC2)cc1 ZINC000586984640 JJ Annotated Anodyne Brc1ccc([C@H](c2nc3cc(I)cnc3[nH]2)N2CCCC2)cc1 ZINC000586984641 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586984663 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586984675 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586984691 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586984710 JJ Annotated Bother CC(=O)N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586984713 JJ Annotated Bother CC(=O)N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984787 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984788 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1 ZINC000586984833 JJ Annotated Clean CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1 ZINC000586984837 JJ Annotated Clean CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000586984958 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)nc1-2 ZINC000586985158 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)nc1-2 ZINC000586985160 JJ Annotated Anodyne Oc1c(Br)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985172 JJ Annotated Anodyne Oc1c(Br)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985173 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586985204 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586985230 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586985231 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586985274 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586985277 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586985313 JJ Annotated Mild CCOC(=O)[C@]1(CCBr)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586985343 JJ Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586985345 JJ Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586985391 JJ Annotated Anodyne O=C(CCl)Nc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)OCO2 ZINC000586985483 JJ Annotated Reactive CC(=O)N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985537 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586985538 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586985599 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586985600 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586985623 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985651 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985652 JJ Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000586985750 JJ Annotated Bother O=S(=O)(c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1)C(F)(F)F ZINC000586985836 JJ Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1)C(F)(F)F ZINC000586985842 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586985875 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586985876 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586986024 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586986025 JJ Annotated Anodyne O=C(N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000586986291 JJ Annotated Anodyne O=C(N[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000586986295 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586986389 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586986391 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986445 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986446 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986638 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986639 JJ Annotated Anodyne Cc1nc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1Br ZINC000586986640 JJ Annotated Anodyne Cc1nc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1Br ZINC000586986642 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986654 JJ Annotated Mild CC(=O)N[C@H](Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986655 JJ Annotated Mild Oc1nc(NCc2ccccc2)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 ZINC000586986663 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 ZINC000586986666 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986688 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986689 JJ Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000586986854 JJ Annotated Anodyne COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986919 JJ Annotated Bother COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986921 JJ Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 ZINC000586986985 JJ Annotated Bother COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987315 JJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987317 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)CC(F)F)cc3)nc3ccc(O)c1c23 ZINC000586987321 JJ Annotated Anodyne COc1c2c(c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c3c1OCO3)CCN(C)C2 ZINC000586987480 JJ Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1S(=O)(=O)C(F)F ZINC000586987568 JJ Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987643 JJ Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987644 JJ Annotated Anodyne CN(C)/C=C1\C[C@@H](NC(=O)OC(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987646 JJ Annotated Anodyne CN(C)/C=C1/C[C@@H](NC(=O)OC(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987647 JJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](N1C(=O)c2ccccc2C1=O)CCC3 ZINC000586987716 JJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](N1C(=O)c2ccccc2C1=O)CCC3 ZINC000586987718 JJ Annotated Anodyne CN(C)/C=C1/c2nc3ccc(O)c4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000586987752 JJ Annotated Anodyne CN(C)/C=C1\c2nc3ccc(O)c4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000586987753 JJ Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CN(C(=O)OCc4ccccc4)CCO3)nc3ccc(O)c1c23 ZINC000586987811 JJ Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CN(C(=O)OCc4ccccc4)CCO3)nc3ccc(O)c1c23 ZINC000586987812 JJ Annotated Anodyne CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987929 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987931 JJ Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@]1(CCN(C(=O)OCc2ccccc2)C1)C3 ZINC000586987939 JJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@]1(CCN(C(=O)OCc2ccccc2)C1)C3 ZINC000586987940 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccncc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987974 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccncc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987975 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988076 JJ Annotated Anodyne O=C(N[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1)OCc1ccccc1 ZINC000586988096 JJ Annotated Anodyne O=C(N[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1)OCc1ccccc1 ZINC000586988097 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988164 JJ Annotated Anodyne COC(=O)c1cc(I)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]1 ZINC000586988165 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988167 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988169 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988170 JJ Annotated Anodyne CCn1ncc(I)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988178 JJ Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3nc4ccc(O)c5c4c(c3C[C@@H]1N2C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000586988254 JJ Annotated Anodyne COC(=O)[C@H]1C[C@H]2c3nc4ccc(O)c5c4c(c3C[C@@H]1N2C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000586988256 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586988283 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C ZINC000586988302 JJ Annotated Anodyne CCOC(=O)[C@H]1c2nc3ccc(O)c4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000586988345 JJ Annotated Anodyne CCOC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000586988346 JJ Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988522 JJ Annotated Mild CCn1cc(I)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586988531 JJ Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1=O ZINC000586988674 JJ Annotated Anodyne Cc1nc(O)c(I)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988797 JJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](CN1C(=O)c2ccccc2C1=O)C3 ZINC000586988860 JJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](CN1C(=O)c2ccccc2C1=O)C3 ZINC000586988861 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc2ccc(O)c3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000586989164 JJ Annotated Anodyne Cc1cc(C)c(O)c(-c2nc3ccc(O)c4c3c(c2C2CC(=O)NC(=O)C2)-c2ccccc2C4=O)c1 ZINC000586989696 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O ZINC000586989786 JJ Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O ZINC000586989791 JJ Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O ZINC000586989793 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O ZINC000586989795 JJ Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989993 JJ Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989995 JJ Annotated Anodyne CC1(C)C(=O)Nc2ccc(-c3nc4ccc(O)c5c4c(c3CC(=O)O)-c3ccccc3C5=O)cc21 ZINC000586990161 JJ Annotated Anodyne COc1ccc(C(=O)Cc2c(CCC(=O)O)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586990172 JJ Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586990352 JJ Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)OCCCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990420 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2[C@H]2CC3(C[C@@H]21)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000586990986 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2[C@H]2CC3(C[C@H]21)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000586990993 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2[C@@H]2CC3(C[C@H]12)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000586990994 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3ccc(O)c4c3c(c2[C@@H]2CC3(C[C@@H]12)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000586990995 JJ Annotated Anodyne COc1ccc(C(=O)CCc2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586991228 JJ Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000586991393 JJ Annotated Anodyne O=C(O)CCc1c(-c2ccc3c(c2)OCCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991508 JJ Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(OC)c(OC)c2OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991944 JJ Annotated Anodyne COc1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1OC ZINC000586992585 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1OC ZINC000586992586 JJ Annotated Anodyne Cc1ccc(C(=O)CCc2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)s1 ZINC000586993115 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993881 JJ Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993882 JJ Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586993883 JJ Annotated Unstable O=C1c2ccccc2-c2cc(-c3ccn(S(=O)(=O)c4ccccc4)c3)nc3ccc(O)c1c23 ZINC000586993885 JJ Annotated Anodyne Cc1ccc(C(=O)Cc2c(CCC(=O)O)nc3ccc(O)c4c3c2-c2ccccc2C4=O)s1 ZINC000586993894 JJ Annotated Anodyne Cc1ccc2c3c(cc(-c4cn(-c5cccnc5Cl)c(=O)nc4O)nc13)-c1ccccc1C2=O ZINC000586993959 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3)nc3ccc(O)c1c23 ZINC000586994163 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc3ccc(O)c1c23 ZINC000586994174 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)OC[C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000586994208 JJ Annotated Mild Cc1ccc(S(=O)(=O)OC[C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000586994209 JJ Annotated Mild NS(=O)(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Cl)cc1Cl ZINC000586994463 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586994511 JJ Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CSc1nnnn1C ZINC000586994514 JJ Annotated Anodyne C[C@H]1CN(c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)S(=O)(=O)C1 ZINC000586994560 JJ Annotated Anodyne C[C@@H]1CN(c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)S(=O)(=O)C1 ZINC000586994561 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)nc3ccc(O)c1c23 ZINC000586994614 JJ Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)ccc1Cl ZINC000586994624 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586994781 JJ Annotated Anodyne Cc1nn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1I ZINC000586994987 JJ Annotated Anodyne Cc1ccc2c3c(cc(-c4nn(C)cc4I)nc13)-c1ccccc1C2=O ZINC000586994998 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 ZINC000586995034 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000586995216 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586995282 JJ Annotated Bother Cc1ccc2c3c(c4c(nc13)CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C4)-c1ccccc1C2=O ZINC000586995387 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C4)-c1ccccc1C2=O ZINC000586995390 JJ Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586995547 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586995575 JJ Annotated Anodyne Cc1ccc2c3c(cc(Cn4ncc(I)c4C)nc13)-c1ccccc1C2=O ZINC000586995947 JJ Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586995970 JJ Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586996058 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586996232 JJ Annotated Anodyne Brc1ccc(NCCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586996287 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586996347 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586996426 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996631 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996709 JJ Annotated Anodyne Clc1ncc(I)c2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996808 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(C)c(Br)cc4[nH]3)cc2cc1Br ZINC000586997038 JJ Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586997127 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1)C(F)(F)F ZINC000586997247 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1)C(F)(F)F ZINC000586997258 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586997278 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(CCO)cc2[nH]1 ZINC000586997362 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2cc1Br ZINC000586997454 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586997592 JJ Annotated Anodyne COC(=O)C(=NNc1ccccc1OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586997663 JJ Annotated Mild O[C@H](c1ccc(Br)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586997747 JJ Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586997905 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998003 JJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998021 JJ Annotated Bother CCOC(=O)Cc1ccc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc2c1 ZINC000586998023 JJ Annotated Anodyne Cc1ccc2c3c(cc(-c4c(I)cnn4C)nc13)-c1ccccc1C2=O ZINC000586998076 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cncc4[nH]3)cc2cc1Br ZINC000586998109 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2cc1Br ZINC000586998133 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586998195 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586998196 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 ZINC000586998231 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nccc(Br)c4[nH]3)cc2cc1Br ZINC000586998404 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(Br)ccc4[nH]3)cc2cc1Br ZINC000586998461 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncc(Br)c(C)c4[nH]3)cc2cc1Br ZINC000586998578 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2cc1Br ZINC000586998618 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c21 ZINC000586998657 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c21 ZINC000586998658 JJ Annotated Clean COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998780 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998781 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998810 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998811 JJ Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccccc4OCc4ccc(Br)cc4)nc3cc2N1 ZINC000586998962 JJ Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccc(I)cc3[nH]1)OCO2 ZINC000586999000 JJ Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccc(I)cc3[nH]1)OCO2 ZINC000586999001 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586999012 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999038 JJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999039 JJ Annotated Bother CCOc1cc2oc(=O)c(-c3nc4c(Br)nccc4[nH]3)cc2cc1Br ZINC000586999078 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncc(Br)cc4[nH]3)cc2cc1Br ZINC000586999182 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cnc(Br)cc4[nH]3)cc2cc1Br ZINC000586999183 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)c(Br)ccc4[nH]3)cc2cc1Br ZINC000586999191 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586999202 JJ Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cccc(I)c3[nH]1)OCO2 ZINC000586999224 JJ Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cccc(I)c3[nH]1)OCO2 ZINC000586999225 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586999325 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)cc(C(=O)OC)cc4[nH]3)cc2cc1Br ZINC000586999343 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)ncc(F)c4[nH]3)cc2cc1Br ZINC000586999366 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586999515 JJ Annotated Bother CCn1cc(Br)c(Cc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)n1 ZINC000586999550 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586999574 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)n1 ZINC000586999580 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000586999584 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000586999585 JJ Annotated Anodyne Brc1cc(/C=C\c2nc3cccc(I)c3[nH]2)cc2c1OCCO2 ZINC000586999672 JJ Annotated Anodyne Brc1cc(/C=C/c2nc3cccc(I)c3[nH]2)cc2c1OCCO2 ZINC000586999673 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1OC ZINC000586999695 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000586999838 JJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000586999908 JJ Annotated Anodyne Cc1cc(Br)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 ZINC000586999910 JJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000586999911 JJ Annotated Anodyne Cc1c(Br)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1C ZINC000586999931 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000586999978 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000004 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000005 JJ Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000006 JJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000007 JJ Annotated Bother CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)n1 ZINC000587000025 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000033 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000034 JJ Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587000089 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587000129 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587000131 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587000159 JJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2cc1Br ZINC000587000176 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587000186 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(I)c2[nH]1 ZINC000587000232 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587000259 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587000276 JJ Annotated Bother CCn1cc(Br)c(Cc2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587000277 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587000278 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587000304 JJ Annotated Bother CCn1cc(Br)c(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1 ZINC000587000326 JJ Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(O)nc(N)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000359 JJ Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(O)nc(N)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000361 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000423 JJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000428 JJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc21 ZINC000587000615 JJ Annotated Clean Cc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000587000624 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587000632 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc1-2 ZINC000587000649 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc1-2 ZINC000587000656 JJ Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587000660 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1)C(F)(F)F ZINC000587000661 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1)C(F)(F)F ZINC000587000666 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587000701 JJ Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587000708 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587000711 JJ Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587000737 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587000789 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000587000817 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3c2)cc1N ZINC000587000835 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)n1 ZINC000587000843 JJ Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587000848 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000853 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000854 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587000871 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587000873 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587000884 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587000888 JJ Annotated Anodyne Clc1c(Br)cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587000932 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 ZINC000587001000 JJ Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cn1 ZINC000587001002 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587001076 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587001080 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587001085 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587001126 JJ Annotated Anodyne Cc1nc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1Br ZINC000587001158 JJ Annotated Anodyne Cc1nc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1Br ZINC000587001161 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3ncc4cc(Br)ccc43)[nH]c21 ZINC000587001162 JJ Annotated Clean Oc1c(Br)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001179 JJ Annotated Anodyne Oc1c(Br)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001182 JJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587001190 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587001209 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)n1 ZINC000587001264 JJ Annotated Anodyne Brc1c(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc2ccccc12 ZINC000587001323 JJ Annotated Anodyne N#Cc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1C(F)(F)F ZINC000587001363 JJ Annotated Mild Nc1ccc(-c2ccc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3c2)cc1N ZINC000587001395 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1 ZINC000587001444 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)n1 ZINC000587001453 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(I)cc2[nH]1 ZINC000587001473 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587001492 JJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)n1 ZINC000587001507 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001585 JJ Annotated Bother N#Cc1cc(Br)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587001633 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587001635 JJ Annotated Mild CC1=C(c2ccc3nc(COc4ccc5ccccc5c4Br)[nH]c3c2)NNC(=O)C1 ZINC000587001777 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(I)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001904 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(I)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001905 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587002036 JJ Annotated Bother O=C1C[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587002037 JJ Annotated Bother Nc1ccc(Oc2ccc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3c2)cc1 ZINC000587002168 JJ Annotated Clean N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587002185 JJ Annotated Bother N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587002255 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587002271 JJ Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cccc(I)c3[nH]2)c1 ZINC000587002278 JJ Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587002393 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587002396 JJ Annotated Clean N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587002406 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1N ZINC000587002439 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1N ZINC000587002440 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(I)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002484 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(I)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002485 JJ Annotated Anodyne Brc1cc(/C=C/c2nc3ccc(I)cc3[nH]2)cc2c1OCCO2 ZINC000587002580 JJ Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(I)cc3[nH]2)cc2c1OCCO2 ZINC000587002582 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587002745 JJ Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccc(I)cc3[nH]2)c1 ZINC000587002753 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587002793 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587002888 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)cc1 ZINC000587002891 JJ Annotated Anodyne Clc1ncc(Br)c2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002895 JJ Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587002927 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002993 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002997 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003007 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003010 JJ Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(O)nc(O)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003236 JJ Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(O)nc(O)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003240 JJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587003323 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Br)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003498 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Br)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003499 JJ Annotated Anodyne N#Cc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1C(F)(F)F ZINC000587003532 JJ Annotated Mild N#Cc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1C(F)(F)F ZINC000587003533 JJ Annotated Mild Fc1c(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1F ZINC000587003632 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587003703 JJ Annotated Bother N#Cc1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 ZINC000587003962 JJ Annotated Mild CCCn1cnc2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc(Br)c21 ZINC000587003972 JJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587003997 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004033 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004061 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3cc(F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004064 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587004148 JJ Annotated Anodyne Clc1ncc(I)c2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004221 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(F)c(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004296 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(F)c(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004298 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)cc(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004319 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)cc(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004321 JJ Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587004470 JJ Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587004471 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587004564 JJ Annotated Bother O=C1C[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587004565 JJ Annotated Bother O=C1C[C@@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587004604 JJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587004605 JJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2c(Br)cccc2O1 ZINC000587004614 JJ Annotated Clean O=C1C[C@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2c(Br)cccc2O1 ZINC000587004616 JJ Annotated Clean CCCn1cnc2cc(-c3nc4cc(I)cnc4[nH]3)cc(Br)c21 ZINC000587004623 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587004798 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587004851 JJ Annotated Bother CC1=C(c2ccc3[nH]c(-c4cc(Br)c(Br)n4C(C)C)nc3c2)NNC(=O)C1 ZINC000587004859 JJ Annotated Anodyne CC(C)n1c(-c2nc3nc(Br)c[nH]c-3n2)cc(Br)c1Br ZINC000587004865 JJ Annotated Anodyne CC(C)n1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc(Br)c1Br ZINC000587004998 JJ Annotated Anodyne CC(C)n1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br ZINC000587005007 JJ Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Br)c4c(c3)ncn4CCC)[nH]c2c1 ZINC000587005009 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005022 JJ Annotated Anodyne Clc1ccc(Br)nc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587005108 JJ Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1OC ZINC000587005109 JJ Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc(Br)c21 ZINC000587005133 JJ Annotated Anodyne Clc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)ccnc1Br ZINC000587005246 JJ Annotated Anodyne Clc1ccc(Br)nc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587005261 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2cc1OC ZINC000587005275 JJ Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cc(Br)c21 ZINC000587005344 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005589 JJ Annotated Anodyne Clc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)ccnc1Br ZINC000587005892 JJ Annotated Anodyne Clc1cnc(Br)c(-c2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587005902 JJ Annotated Anodyne Clc1cnc(Br)c(-c2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587005912 JJ Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587005987 JJ Annotated Anodyne Brc1cnc2c(-c3nc4c(Br)ccc(Br)c4[nH]3)cnn2c1 ZINC000587006131 JJ Annotated Anodyne CCCOc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587006233 JJ Annotated Anodyne FC(F)(F)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587006265 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)cc1 ZINC000587006284 JJ Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006399 JJ Annotated Anodyne O=c1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006423 JJ Annotated Bother O=c1c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006428 JJ Annotated Anodyne O=c1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Br)cn1Cc1ccccc1 ZINC000587006451 JJ Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 ZINC000587006473 JJ Annotated Mild O=c1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006646 JJ Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006650 JJ Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006713 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006725 JJ Annotated Bother O=C(Nc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1)c1ccc(Br)o1 ZINC000587006737 JJ Annotated Anodyne O=c1c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006744 JJ Annotated Anodyne COC(=O)c1cccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587006745 JJ Annotated Anodyne O=c1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006749 JJ Annotated Anodyne Cc1nc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1Br ZINC000587006751 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587006765 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006767 JJ Annotated Bother O=C(Nc1ccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006771 JJ Annotated Anodyne CC(C)COc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587006773 JJ Annotated Anodyne Brc1cnc2c(-c3nc4cc(Br)c(Br)cc4[nH]3)cnn2c1 ZINC000587006775 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 ZINC000587006837 JJ Annotated Anodyne O=c1c(-c2nc3c(O)c(Br)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006875 JJ Annotated Anodyne CCCCOc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587006886 JJ Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587006949 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006960 JJ Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587007029 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587007054 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007101 JJ Annotated Anodyne Brc1ncc(Br)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007116 JJ Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007122 JJ Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007216 JJ Annotated Anodyne O=c1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007217 JJ Annotated Anodyne Clc1ncc(I)c2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587007265 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007293 JJ Annotated Anodyne CC(C)Oc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587007329 JJ Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c12 ZINC000587007449 JJ Annotated Anodyne O=c1c(-c2nc3c(Br)cccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007450 JJ Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2cc1[N+](=O)[O-] ZINC000587007754 JJ Annotated Bother Clc1ncc(I)c2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587007762 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007940 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cnn5cc(Br)cnc45)[nH]c3c2)cc1 ZINC000587008071 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccnc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008221 JJ Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587008264 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)ccnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008383 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587008492 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)nc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008759 JJ Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1OC ZINC000587008795 JJ Annotated Anodyne O=C1CCc2cc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3cc2N1 ZINC000587008881 JJ Annotated Anodyne COc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009694 JJ Annotated Anodyne COc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009695 JJ Annotated Anodyne COc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009696 JJ Annotated Anodyne COc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009697 JJ Annotated Anodyne Cc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009908 JJ Annotated Anodyne Cc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009909 JJ Annotated Anodyne Cc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009910 JJ Annotated Anodyne Cc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587009911 JJ Annotated Anodyne COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587010064 JJ Annotated Anodyne COc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587010065 JJ Annotated Anodyne COc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587010066 JJ Annotated Anodyne COc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cn1 ZINC000587010067 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3nc(Cl)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010304 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3nc(Cl)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010305 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3nc(Cl)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010306 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3nc(Cl)c[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010307 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010329 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010330 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010331 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010332 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(CO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010338 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(CO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010339 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(CO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010340 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(CO)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010341 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cnccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010480 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cnccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010482 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cnccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010483 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cnccc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010484 JJ Annotated Anodyne Cc1ccnc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587010721 JJ Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587010722 JJ Annotated Anodyne Cc1ccnc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587010723 JJ Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587010724 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(O)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011022 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(O)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011023 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(O)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011024 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(O)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011025 JJ Annotated Anodyne Cc1cncc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011279 JJ Annotated Anodyne Cc1cncc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011282 JJ Annotated Anodyne Cc1cncc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011283 JJ Annotated Anodyne Cc1cncc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011287 JJ Annotated Anodyne COc1cncc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011498 JJ Annotated Anodyne COc1cncc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011500 JJ Annotated Anodyne COc1cncc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011501 JJ Annotated Anodyne COc1cncc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011502 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Cl)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011552 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Cl)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011554 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Cl)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011555 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Cl)ncnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011556 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011577 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011579 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011580 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011581 JJ Annotated Anodyne Cc1cnc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011858 JJ Annotated Anodyne Cc1cnc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011860 JJ Annotated Anodyne Cc1cnc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011861 JJ Annotated Anodyne Cc1cnc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011862 JJ Annotated Anodyne Cc1nccc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011957 JJ Annotated Anodyne Cc1nccc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011960 JJ Annotated Anodyne Cc1nccc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011964 JJ Annotated Anodyne Cc1nccc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011966 JJ Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587012433 JJ Annotated Anodyne Clc1ncc(I)c2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012524 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012779 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012780 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012781 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012782 JJ Annotated Anodyne COc1nccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012796 JJ Annotated Anodyne COc1nccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012797 JJ Annotated Anodyne COc1nccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012798 JJ Annotated Anodyne COc1nccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012801 JJ Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cnc(Cl)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012804 JJ Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cnc(Cl)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012806 JJ Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cnc(Cl)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012807 JJ Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cnc(Cl)[nH]c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012809 JJ Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587012814 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1)C(F)(F)F ZINC000587012876 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587013521 JJ Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587013613 JJ Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)s1 ZINC000587013785 JJ Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)s1 ZINC000587013788 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(S)nc(S)nc4[nH]3)cs2)cc1 ZINC000587013854 JJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc12 ZINC000587013920 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cn1 ZINC000587013928 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cs2)cc1 ZINC000587014074 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587014111 JJ Annotated Bother COC(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2n1 ZINC000587014206 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587014561 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cs2)cc1 ZINC000587014611 JJ Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)s1 ZINC000587014652 JJ Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)s1 ZINC000587014653 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)cc1 ZINC000587014734 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Br)cnc(Br)c3[nH]2)cs1 ZINC000587014802 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587014949 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587015073 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587015733 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587015737 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587016012 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587016531 JJ Annotated Anodyne Brc1c[nH]c2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2n1 ZINC000587017062 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587017093 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587017120 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587017122 JJ Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1OC ZINC000587017239 JJ Annotated Anodyne Clc1ncc(I)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017343 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1)C(F)(F)F ZINC000587017463 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1)C(F)(F)F ZINC000587017642 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017645 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1OC ZINC000587017703 JJ Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc(O)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587017728 JJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4csc(-c5ccco5)n4)[nH]c3c2)cc1 ZINC000587018337 JJ Annotated Anodyne Clc1ncc(Br)c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018437 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c21 ZINC000587018599 JJ Annotated Clean O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018604 JJ Annotated Bother O=C(O)c1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018611 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018760 JJ Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587018770 JJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cs1 ZINC000587018796 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018804 JJ Annotated Bother O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(I)cc3[nH]2)cs1 ZINC000587018805 JJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cs1 ZINC000587018839 JJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(I)c3[nH]2)cs1 ZINC000587018877 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cs1)c1cccs1 ZINC000587018884 JJ Annotated Anodyne CN1CCN(c2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)CC1 ZINC000587018886 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 ZINC000587018922 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cs1)c1cccs1 ZINC000587018997 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1)c1cccs1 ZINC000587019024 JJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587019029 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019058 JJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 ZINC000587019097 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(I)c3[nH]2)cs1 ZINC000587019114 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 ZINC000587019137 JJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587019149 JJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1 ZINC000587019189 JJ Annotated Bother O=C(Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1)c1cccs1 ZINC000587019196 JJ Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587019247 JJ Annotated Anodyne CC1=C(c2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587019308 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587019359 JJ Annotated Anodyne Clc1c(Br)cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 ZINC000587019370 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 ZINC000587019446 JJ Annotated Bother CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cs1 ZINC000587019474 JJ Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1C ZINC000587019524 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(I)cc3[nH]2)cs1 ZINC000587019565 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cs1 ZINC000587019598 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1 ZINC000587019761 JJ Annotated Bother O=C(Nc1ccccc1)Nc1nc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cs1 ZINC000587019811 JJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 ZINC000587019863 JJ Annotated Bother O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587019934 JJ Annotated Bother O=C(Nc1nc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019942 JJ Annotated Bother O=C(Nc1nc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cs1)c1cccs1 ZINC000587019943 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019946 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019951 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020124 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1)c1cccs1 ZINC000587020153 JJ Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)s1 ZINC000587020158 JJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020164 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc-2[nH]1 ZINC000587020435 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2cc1OC ZINC000587020454 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1 ZINC000587020775 JJ Annotated Clean Cn1cc(-c2ncc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)s2)cn1 ZINC000587020871 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 ZINC000587021022 JJ Annotated Anodyne Nc1nc(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cs1 ZINC000587021070 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 ZINC000587021104 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(-c6cnn(C)c6)s5)[nH]c4c3)o2)cc1 ZINC000587021362 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c[nH]cc4-c4csc(C)n4)[nH]c3c2)cc1 ZINC000587021541 JJ Annotated Anodyne N#Cc1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587022154 JJ Annotated Mild Clc1ncc(I)c2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587022184 JJ Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587022637 JJ Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587022638 JJ Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587022851 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)ncc(Br)c3[nH]2)s1 ZINC000587023012 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023104 JJ Annotated Anodyne CC(C)Oc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587023472 JJ Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023480 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)s1 ZINC000587023801 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)ncc(I)c3[nH]2)s1 ZINC000587023958 JJ Annotated Anodyne CC(C)CCOc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024196 JJ Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024208 JJ Annotated Anodyne O=C(CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024238 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587024259 JJ Annotated Anodyne O=C(CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024275 JJ Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024276 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587024289 JJ Annotated Anodyne CCCOc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587024299 JJ Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024326 JJ Annotated Anodyne O=C(CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024339 JJ Annotated Anodyne O=C(CCc1nc2cccc(OCc3ccccc3)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024342 JJ Annotated Anodyne CCCCOc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024354 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587024355 JJ Annotated Anodyne CC(C)COc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024379 JJ Annotated Anodyne O=C(CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024404 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587024406 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nnc(S)s5)[nH]c4c3)o2)cc1 ZINC000587024434 JJ Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587024523 JJ Annotated Bother N[C@H](c1ccsc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587024525 JJ Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587025603 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587025605 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587025608 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587025612 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026298 JJ Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026300 JJ Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026301 JJ Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026302 JJ Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccsc3)nc1-2 ZINC000587026329 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccsc3)nc1-2 ZINC000587026332 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026582 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4nc(-c5ccsc5)oc4C)[nH]c3c2)cc1 ZINC000587026586 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026594 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026596 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026600 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026691 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026694 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026696 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026698 JJ Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587027090 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000587027151 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C[C@H]2CCCC[C@H]21 ZINC000587027152 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000587027154 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000587027156 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 ZINC000587027274 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c[nH]cc4-c4scnc4C)[nH]c3c2)cc1 ZINC000587027434 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027457 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027464 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027466 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027467 JJ Annotated Anodyne Cc1ncsc1CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587027641 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(I)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027896 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(I)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027900 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(I)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027901 JJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(I)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027902 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 ZINC000587028230 JJ Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028416 JJ Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028417 JJ Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028418 JJ Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028419 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 ZINC000587029406 JJ Annotated Anodyne Cc1c(-c2nc3c(Br)ncc(Br)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029771 JJ Annotated Anodyne Clc1ncc(I)c2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029778 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587030169 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(I)cnc3[nH]1)N2 ZINC000587030371 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(I)cnc3[nH]1)N2 ZINC000587030372 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(I)cnc3[nH]1)N2 ZINC000587030373 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(I)cnc3[nH]1)N2 ZINC000587030374 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cncc(Br)c3[nH]1)N2 ZINC000587030393 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncc(Br)c3[nH]1)N2 ZINC000587030394 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncc(Br)c3[nH]1)N2 ZINC000587030395 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncc(Br)c3[nH]1)N2 ZINC000587030396 JJ Annotated Anodyne Nc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)sc2cc(Br)ccc12 ZINC000587030448 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(F)cnc(Br)c3[nH]1)N2 ZINC000587030565 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(F)cnc(Br)c3[nH]1)N2 ZINC000587030567 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(F)cnc(Br)c3[nH]1)N2 ZINC000587030568 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(F)cnc(Br)c3[nH]1)N2 ZINC000587030570 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)nc3[nH]1)N2 ZINC000587030579 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)nc3[nH]1)N2 ZINC000587030580 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)nc3[nH]1)N2 ZINC000587030581 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)nc3[nH]1)N2 ZINC000587030582 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 ZINC000587030589 JJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 ZINC000587030590 JJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 ZINC000587030591 JJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 ZINC000587030592 JJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cnc3[nH]1)N2 ZINC000587030896 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cnc3[nH]1)N2 ZINC000587030897 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cnc3[nH]1)N2 ZINC000587030899 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cnc3[nH]1)N2 ZINC000587030900 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Br)ccnc3[nH]1)N2 ZINC000587030903 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Br)ccnc3[nH]1)N2 ZINC000587030904 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Br)ccnc3[nH]1)N2 ZINC000587030906 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Br)ccnc3[nH]1)N2 ZINC000587030907 JJ Annotated Anodyne Nc1c(-c2nc3cc(I)cnc3[nH]2)sc2cc(Br)ccc12 ZINC000587031156 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2C1 ZINC000587031343 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587031378 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(F)cnc(Br)c4[nH]3)c2C1 ZINC000587031385 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)N2 ZINC000587031406 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)N2 ZINC000587031421 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)N2 ZINC000587031424 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)N2 ZINC000587031428 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 ZINC000587031642 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(OCCN(C)C)cc3[nH]1)N2 ZINC000587032083 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(OCCN(C)C)cc3[nH]1)N2 ZINC000587032084 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(OCCN(C)C)cc3[nH]1)N2 ZINC000587032085 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(OCCN(C)C)cc3[nH]1)N2 ZINC000587032086 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(CN4CCOCC4)cc3[nH]1)N2 ZINC000587032179 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(CN4CCOCC4)cc3[nH]1)N2 ZINC000587032183 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(CN4CCOCC4)cc3[nH]1)N2 ZINC000587032187 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(CN4CCOCC4)cc3[nH]1)N2 ZINC000587032189 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2C1 ZINC000587032311 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c2C1 ZINC000587032429 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(I)cnc4[nH]3)c2C1 ZINC000587032477 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc5ncccc5c4[nH]3)ccc2s1 ZINC000587032872 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)ncc3[nH]1)N2 ZINC000587032889 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)ncc3[nH]1)N2 ZINC000587032891 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)ncc3[nH]1)N2 ZINC000587032893 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)ncc3[nH]1)N2 ZINC000587032894 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccnc(Br)c3[nH]1)N2 ZINC000587032933 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccnc(Br)c3[nH]1)N2 ZINC000587032935 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccnc(Br)c3[nH]1)N2 ZINC000587032936 JJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccnc(Br)c3[nH]1)N2 ZINC000587032937 JJ Annotated Anodyne CC1=C(c2ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3c2)NNC(=O)C1 ZINC000587032955 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033268 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033270 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033272 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587033273 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587033440 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc5nc(C)ccc5c4[nH]3)ccc2s1 ZINC000587033608 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Cl)cnc(Cl)c4[nH]3)ccc2s1 ZINC000587033749 JJ Annotated Anodyne O=C(NCc1nc2c(Br)ccc(Br)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587033760 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(C)(C)C)nc4[nH]3)ccc2s1 ZINC000587033761 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)ccc2s1 ZINC000587033793 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CNC(=O)c5cc6c(s5)CCC6)[nH]c4c3)o2)cc1 ZINC000587033799 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc2s1 ZINC000587034247 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Cl)c(Cl)cnc4[nH]3)ccc2s1 ZINC000587034285 JJ Annotated Anodyne O=C(NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034306 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)c(F)cc4[nH]3)ccc2s1 ZINC000587034362 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587034467 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(SC)cc4[nH]3)ccc2s1 ZINC000587034626 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(OC(C)C)cc4[nH]3)ccc2s1 ZINC000587034639 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc5c(c4[nH]3)CCCC5)ccc2s1 ZINC000587034643 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnc5ccccc5c4[nH]3)ccc2s1 ZINC000587034704 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)ncc4[nH]3)ccc2s1 ZINC000587034726 JJ Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587034744 JJ Annotated Anodyne O=C(NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034761 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034764 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034765 JJ Annotated Anodyne O=C(NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034870 JJ Annotated Anodyne O=C(NCc1nc2cc(Br)c(Br)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034883 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)c(F)c(F)c4[nH]3)ccc2s1 ZINC000587035181 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)cc(F)c4[nH]3)ccc2s1 ZINC000587035386 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035504 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035505 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)c(Cl)nc4[nH]3)ccc2s1 ZINC000587035592 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C#N)cc(Cl)c4[nH]3)ccc2s1 ZINC000587035601 JJ Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)nc(Cl)c4[nH]3)ccc2s1 ZINC000587035677 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)cnc4[nH]3)ccc2s1 ZINC000587035711 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(Br)c4[nH]3)ccc2s1 ZINC000587035715 JJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)cc4[nH]3)ccc2s1 ZINC000587035750 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036726 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036727 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Br)ccc(Br)c4[nH]3)cc12 ZINC000587036823 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Br)ccc(Br)c4[nH]3)cc12 ZINC000587036824 JJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036828 JJ Annotated Bother N=c1[nH]c2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 ZINC000587036830 JJ Annotated Bother NNC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587036953 JJ Annotated Reactive CC[C@@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(F)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 ZINC000587037489 JJ Annotated Clean CC[C@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(F)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 ZINC000587037492 JJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4SCCc5sccc54)[nH]c3c2)cc1 ZINC000587037524 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc12 ZINC000587037617 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc12 ZINC000587037618 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4SCCc5sccc54)[nH]c3c2)cc1 ZINC000587037662 JJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(N)nc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037816 JJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(N)nc(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037818 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cc4c(s3)CCC4)[nH]c12 ZINC000587037836 JJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C#N)c(C#N)[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587037874 JJ Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C#N)c(C#N)[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587037879 JJ Annotated Mild CCCOc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587037964 JJ Annotated Anodyne CCCOc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587037965 JJ Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C1=O ZINC000587037997 JJ Annotated Mild NS(=O)(=O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587037998 JJ Annotated Bother C=CCN1C(=O)S[C@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C1=O ZINC000587037999 JJ Annotated Mild O=[N+]([O-])c1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038055 JJ Annotated Bother C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)C1=O ZINC000587038477 JJ Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)C1=O ZINC000587038478 JJ Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(-n6cnnn6)cc5[nH]4)c23)cc1 ZINC000587038522 JJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nc(S)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038552 JJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nc(S)nc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038553 JJ Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCCCCC)c(Br)cc3[nH]2)C1=O ZINC000587038672 JJ Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OCCCCC)c(Br)cc3[nH]2)C1=O ZINC000587038676 JJ Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C1=O ZINC000587038827 JJ Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C1=O ZINC000587038829 JJ Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587038874 JJ Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587038885 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3c2)cc1 ZINC000587038900 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3c2)cc1 ZINC000587038902 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)cc(Br)c4[nH]3)cc12 ZINC000587038903 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)cc(Br)c4[nH]3)cc12 ZINC000587038908 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cc(Cl)c4[nH]3)cc12 ZINC000587038939 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cc(Cl)c4[nH]3)cc12 ZINC000587038940 JJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039127 JJ Annotated Anodyne CCCOc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587039132 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587039353 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587039520 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587039529 JJ Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)c(Br)cc4[nH]3)cc12 ZINC000587039674 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)c(Br)cc4[nH]3)cc12 ZINC000587039676 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc12 ZINC000587039681 JJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc12 ZINC000587039683 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587039998 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587040045 JJ Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C1=O ZINC000587040078 JJ Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C1=O ZINC000587040079 JJ Annotated Mild O=S(=O)(c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1)C(F)(F)F ZINC000587040179 JJ Annotated Anodyne CC[C@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(C)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 ZINC000587040307 JJ Annotated Clean CC[C@@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(C)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 ZINC000587040308 JJ Annotated Clean CN(C)S(=O)(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587040484 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587040636 JJ Annotated Clean CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587040637 JJ Annotated Clean Ic1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587040648 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587040716 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587040717 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587040815 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587040817 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587040818 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587040819 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040942 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040943 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040944 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040945 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587041157 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587041158 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CSCN5C(=O)C(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587041206 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CSCN5C(=O)C(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587041212 JJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587041415 JJ Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587041421 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587041486 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587041487 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587041740 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587041742 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587041773 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587041774 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587041827 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587041828 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587041855 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587041856 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(COc3ccccc3C3SCCS3)nc-2[nH]1 ZINC000587042025 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587042217 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587042218 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587042228 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587042229 JJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042838 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042868 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587043018 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587043020 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043059 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043060 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043061 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043062 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3Cc4ccccc4S3)nc1-2 ZINC000587043107 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3Cc4ccccc4S3)nc1-2 ZINC000587043110 JJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587043180 JJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587043181 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6c(c5)NC(=O)CS6)[nH]c4c3)o2)cc1 ZINC000587043245 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587043393 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587043395 JJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587043636 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587043637 JJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587043781 JJ Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587043782 JJ Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587043970 JJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587043971 JJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587044023 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587044025 JJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587044026 JJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587044029 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c21 ZINC000587044070 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c21 ZINC000587044071 JJ Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587044114 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587044115 JJ Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587044318 JJ Annotated Anodyne COC(=O)c1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587044319 JJ Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(I)cnc2[nH]1 ZINC000587044382 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587045737 JJ Annotated Anodyne COc1cc(-c2nc3cc(I)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046421 JJ Annotated Anodyne COc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Cl)c1OCC(C)C ZINC000587046454 JJ Annotated Anodyne COc1cc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047189 JJ Annotated Anodyne COc1cc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047193 JJ Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047217 JJ Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047218 JJ Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl ZINC000587047486 JJ Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl ZINC000587047487 JJ Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587047867 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587047868 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587047906 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587047956 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587048115 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587048230 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncc(Br)c3[nH]2)c1 ZINC000587048284 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587048496 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587048498 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587048890 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587048891 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587049030 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587049060 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(CC(=O)OCC)cc3[nH]2)c1 ZINC000587049090 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587049191 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587049195 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587049496 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587049570 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587049649 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587050170 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587050171 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587050183 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587050262 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587050264 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587050266 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc(Br)c3[nH]2)c1 ZINC000587050557 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc(Br)c3[nH]2)c1 ZINC000587050560 JJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587050572 JJ Annotated Anodyne O=c1ccc(-c2nc3ccc(Br)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051214 JJ Annotated Anodyne O=c1ccc(-c2nc3c(Br)ccnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051348 JJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587051572 JJ Annotated Anodyne O=c1ccc(-c2nc3cncc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052221 JJ Annotated Anodyne O=c1ccc(-c2nc3cc(Br)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052228 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)Cc5ccc(O)c(Cl)c5)[nH]c4c3)o2)cc1 ZINC000587052272 JJ Annotated Anodyne O=c1ccc(-c2nc3ccnc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052403 JJ Annotated Anodyne O=c1ccc(-c2nc3cc(Br)ncc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052438 JJ Annotated Anodyne COC(=O)c1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587052459 JJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587052560 JJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587052682 JJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587052689 JJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587052785 JJ Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587053121 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587053122 JJ Annotated Bother O=c1ccc(-c2nc3cc(I)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053152 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1OC ZINC000587053260 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(O)cc3Cl)nc1-2 ZINC000587053433 JJ Annotated Anodyne O=c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053505 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 ZINC000587053569 JJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587053816 JJ Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587053821 JJ Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587053915 JJ Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 ZINC000587053918 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(I)c2[nH]1 ZINC000587053993 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(I)c2[nH]1 ZINC000587053997 JJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587054639 JJ Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)NN)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054687 JJ Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)NN)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054689 JJ Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587054798 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587054803 JJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cnncc2[nH]1 ZINC000587054863 JJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587054879 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587054882 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587055331 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587055333 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587055432 JJ Annotated Bother CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587055495 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587055690 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(N)ccnc2[nH]1 ZINC000587055720 JJ Annotated Anodyne O=c1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587055766 JJ Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587055851 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587055872 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587055873 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(I)cc2[nH]1 ZINC000587056056 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(I)cc2[nH]1 ZINC000587056058 JJ Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 ZINC000587056600 JJ Annotated Bother Cc1c(Br)cnc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 ZINC000587056624 JJ Annotated Bother Cc1nc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1Br ZINC000587056853 JJ Annotated Bother Cc1nc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1Br ZINC000587056855 JJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587056874 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587056877 JJ Annotated Bother Cc1cc(/C=C(/C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056940 JJ Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056941 JJ Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056965 JJ Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056967 JJ Annotated Reactive CC1=C(c2ccc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c3c2)NNC(=O)C1 ZINC000587057117 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ncc[nH]c-2n1 ZINC000587057217 JJ Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1Cl ZINC000587057566 JJ Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1Cl ZINC000587057572 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3ccccc3Cl)nc1-2 ZINC000587057585 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(N)ncc2[nH]1 ZINC000587058004 JJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587058028 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587058029 JJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccnc(N)c2[nH]1 ZINC000587058189 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587058415 JJ Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058431 JJ Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058441 JJ Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cncnc2[nH]1 ZINC000587058517 JJ Annotated Anodyne Cc1cc(-c2nc3nc(Br)c[nH]c-3n2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059145 JJ Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587059343 JJ Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccccc1Cl ZINC000587059670 JJ Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccccc1Cl ZINC000587059671 JJ Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587059760 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(I)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060744 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060786 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060807 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(N)nc3-c3ccccc3Cl)nc2c1 ZINC000587060839 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cccc(I)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061009 JJ Annotated Anodyne Cc1cc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061013 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061016 JJ Annotated Mild COCCN1C(=O)CC[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061047 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(C)c(Br)cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061065 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061388 JJ Annotated Bother COCCN1C(=O)CC[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061425 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061456 JJ Annotated Anodyne Cc1cc(-c2nc3c(S)nc(S)nc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061560 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)c(C)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061606 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CNc3ccccc3Cl)nc1-2 ZINC000587061907 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061942 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@H]1c1ccccc1Cl ZINC000587061948 JJ Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062049 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062064 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062076 JJ Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H]1c1ccccc1Cl ZINC000587062078 JJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062104 JJ Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062477 JJ Annotated Anodyne Cc1cc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062490 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062539 JJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062540 JJ Annotated Anodyne Cc1onc(-c2nc3ncc(I)cc3[nH]2)c1COc1ccccc1Cl ZINC000587062769 JJ Annotated Anodyne Cc1onc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1COc1ccccc1Cl ZINC000587063377 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1 ZINC000587063710 JJ Annotated Anodyne Cc1c(Br)cnc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12 ZINC000587063833 JJ Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063870 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc21 ZINC000587063897 JJ Annotated Clean Clc1ccccc1OCCn1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2ccccc21 ZINC000587063913 JJ Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063988 JJ Annotated Mild O=c1cccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064018 JJ Annotated Anodyne O=c1cccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064027 JJ Annotated Bother O=c1cccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064088 JJ Annotated Anodyne O=c1cccc(-c2nc3c(I)cccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064135 JJ Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064176 JJ Annotated Anodyne O=c1cccc(-c2nc3c(O)c(Br)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064462 JJ Annotated Anodyne Cc1nc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587064894 JJ Annotated Anodyne O=c1cccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064974 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064979 JJ Annotated Anodyne O=c1cccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587065077 JJ Annotated Bother O=C(O)c1cc(Br)cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 ZINC000587065091 JJ Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587065155 JJ Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1Cl ZINC000587065542 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3c(C=O)cc(Cl)cc3OC)nc2c1 ZINC000587065799 JJ Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587066962 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587067087 JJ Annotated Mild Clc1cccc(-c2cc(-c3nc4c(Cl)ncc(I)c4[nH]3)n[nH]2)c1 ZINC000587068184 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068645 JJ Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587069247 JJ Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587069248 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(Cl)cc3)[nH]c12 ZINC000587071036 JJ Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587071118 JJ Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587071119 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587071703 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587071705 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1cccc(Cl)c1 ZINC000587071812 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1cccc(Cl)c1 ZINC000587071814 JJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587071985 JJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587071986 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2cc1OC ZINC000587072008 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2cc1OC ZINC000587072010 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1 ZINC000587072050 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1 ZINC000587072051 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072057 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072058 JJ Annotated Anodyne CC1=C(c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)NNC(=O)C1 ZINC000587072416 JJ Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)NNC(=O)C1 ZINC000587072417 JJ Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1OC ZINC000587072570 JJ Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1OC ZINC000587072572 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587072993 JJ Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc12 ZINC000587073028 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587073039 JJ Annotated Bother COC(=O)c1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587073062 JJ Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587073164 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587073636 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587073639 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 ZINC000587073765 JJ Annotated Anodyne Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)nnn1Cc1ccc(Cl)cc1 ZINC000587074049 JJ Annotated Clean CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587074107 JJ Annotated Bother Cc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074270 JJ Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cccc(I)c4[nH]3)o2)cc1 ZINC000587075103 JJ Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4c(I)cnc(Cl)c4[nH]3)o2)cc1 ZINC000587075692 JJ Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)nn2)cc1 ZINC000587075817 JJ Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4c(Br)cnc(Br)c4[nH]3)ON2)cc1 ZINC000587076164 JJ Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4c(Br)cnc(Br)c4[nH]3)ON2)cc1 ZINC000587076165 JJ Annotated Anodyne Cc1onc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1COc1ccc(Cl)cc1 ZINC000587076450 JJ Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)nn2)cc1 ZINC000587076841 JJ Annotated Anodyne Cc1onc(-c2nc3ncc(I)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076888 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c21 ZINC000587076914 JJ Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587077098 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1 ZINC000587077280 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1 ZINC000587077281 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587077358 JJ Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4c(Br)cnc(Br)c4[nH]3)o2)cc1 ZINC000587077481 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(Cl)cc12 ZINC000587078085 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(Cl)cc12 ZINC000587078086 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1 ZINC000587078112 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(Cl)cc12 ZINC000587078184 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(Cl)cc12 ZINC000587078185 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078298 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078299 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(Cl)cc12 ZINC000587078375 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(Cl)cc12 ZINC000587078377 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4nc(Br)c[nH]c-4n3)c(Cl)cc12 ZINC000587078492 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4nc(Br)c[nH]c-4n3)c(Cl)cc12 ZINC000587078493 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(Cl)cc12 ZINC000587078648 JJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(Cl)cc12 ZINC000587078649 JJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587078760 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587078763 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587078941 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587078942 JJ Annotated Anodyne CCCOc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br ZINC000587079006 JJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587079020 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587079022 JJ Annotated Anodyne Cc1onc(-c2nc3c(Cl)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079080 JJ Annotated Bother Cc1onc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079146 JJ Annotated Bother Cc1onc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079426 JJ Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587079682 JJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587079684 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)cc1 ZINC000587079764 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)cc1 ZINC000587079765 JJ Annotated Anodyne Cc1onc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079815 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080034 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080035 JJ Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080078 JJ Annotated Bother Cc1onc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080154 JJ Annotated Clean Cc1onc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080393 JJ Annotated Bother C[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080542 JJ Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080545 JJ Annotated Anodyne Cc1onc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080648 JJ Annotated Bother Cc1onc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080657 JJ Annotated Bother Cc1onc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080732 JJ Annotated Bother Clc1cnn2c(-c3nc4ncc(I)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081275 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3c2)cc1 ZINC000587081304 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc-2[nH]1 ZINC000587081316 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c21 ZINC000587081771 JJ Annotated Clean Clc1cnn(COc2cccc(-c3nc4ccc(I)cc4[nH]3)c2)c1 ZINC000587081843 JJ Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587082079 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 ZINC000587082132 JJ Annotated Anodyne O=C(CCCc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082331 JJ Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587082353 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082371 JJ Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000587084435 JJ Annotated Anodyne CC(C)Oc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587084576 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)cc1 ZINC000587084798 JJ Annotated Anodyne CCCOc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587085469 JJ Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)nn1 ZINC000587085635 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587085783 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587086086 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587086088 JJ Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cnc(Cl)nc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587086204 JJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3c2)cc1 ZINC000587086260 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587086387 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587086388 JJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587086486 JJ Annotated Mild Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587086518 JJ Annotated Mild O=C(O)c1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1F ZINC000587086570 JJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587086575 JJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587086582 JJ Annotated Anodyne O=C(O)c1cc(F)cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587086697 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587086748 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587086749 JJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc([N+](=O)[O-])c5[nH]4)(C3)C1)C2 ZINC000587086992 JJ Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587087097 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587087100 JJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6c(cc5[nH]4)OCCO6)(C3)C1)C2 ZINC000587087204 JJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc([N+](=O)[O-])cc5[nH]4)(C3)C1)C2 ZINC000587087255 JJ Annotated Bother Cc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2c1 ZINC000587087324 JJ Annotated Mild N#Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1C(F)(F)F ZINC000587087401 JJ Annotated Mild Nc1ncc(Cl)nc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587087439 JJ Annotated Bother N#Cc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1C#N ZINC000587087461 JJ Annotated Mild O=C(O)c1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087541 JJ Annotated Anodyne O=C(O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087596 JJ Annotated Anodyne COc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1OC ZINC000587087606 JJ Annotated Anodyne N#Cc1nc(Cl)cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087617 JJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Br)C(C)(C)F)[nH]c3c2)cc1 ZINC000587087638 JJ Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Br)C(C)(C)F)[nH]c3c2)cc1 ZINC000587087639 JJ Annotated Reactive O=C1CCc2cc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3cc2N1 ZINC000587087753 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587087795 JJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587087796 JJ Annotated Reactive Cc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587087884 JJ Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6nc(O)[nH]c6cc5[nH]4)(C3)C1)C2 ZINC000587087923 JJ Annotated Anodyne Cc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587087926 JJ Annotated Mild N#Cc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087981 JJ Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cnc(C(F)(F)F)[nH]c-5n4)(C3)C1)C2 ZINC000587088027 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587088108 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587088109 JJ Annotated Anodyne FC(Br)(Br)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587088115 JJ Annotated Anodyne Cc1cc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c(C)n1 ZINC000587088128 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088161 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088162 JJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6cn[nH]c6cc5[nH]4)(C3)C1)C2 ZINC000587088264 JJ Annotated Anodyne COC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088271 JJ Annotated Anodyne N#Cc1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587088374 JJ Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587088511 JJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587088513 JJ Annotated Anodyne COc1cc(OC)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587088776 JJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6c(cc5[nH]4)OCO6)(C3)C1)C2 ZINC000587088809 JJ Annotated Anodyne COc1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587088819 JJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587088903 JJ Annotated Mild O=C(c1ccccc1)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587088941 JJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587088943 JJ Annotated Mild FC(Br)(Br)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587088973 JJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587088975 JJ Annotated Mild COC(=O)c1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587089043 JJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587089131 JJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587089258 JJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587089282 JJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587089294 JJ Annotated Mild Oc1nc(NCc2ccccc2)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2[nH]1 ZINC000587089633 JJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587089797 JJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089875 JJ Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090201 JJ Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)C(F)(F)F ZINC000587090408 JJ Annotated Mild O=C(O)c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090627 JJ Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 ZINC000587090785 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 ZINC000587090897 JJ Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 ZINC000587090945 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Br)c(O)c3[nH]2)CC1 ZINC000587090993 JJ Annotated Anodyne Cc1nc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2cc1Br ZINC000587091010 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc-2[nH]1 ZINC000587091052 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587091069 JJ Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 ZINC000587091158 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])n(CC(F)(F)F)n5)[nH]c4c3)o2)cc1 ZINC000587091269 JJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3c2)cc1 ZINC000587091302 JJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncc(I)cc2[nH]1 ZINC000587091335 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000587091388 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000587091399 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc4ncccc4c3[nH]2)CC1 ZINC000587091421 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 ZINC000587091444 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 ZINC000587091604 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cncc(Br)c3[nH]2)CC1 ZINC000587091653 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc12 ZINC000587091672 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC000587091681 JJ Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587091747 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)ncc3[nH]2)CC1 ZINC000587091828 JJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)nn1CC(F)(F)F ZINC000587091932 JJ Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c(Br)cnc(Br)c2[nH]1)C(F)(F)F ZINC000587091977 JJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(Br)cnc(Br)c2[nH]1)C(F)(F)F ZINC000587091978 JJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587091982 JJ Annotated Bother CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587092010 JJ Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)nn1CC(F)(F)F ZINC000587092012 JJ Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)nn1CC(F)(F)F ZINC000587092024 JJ Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Br)ccnc3[nH]2)CC1 ZINC000587092047 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C#N)cc(Cl)c3[nH]2)CC1 ZINC000587092077 JJ Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587092081 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587092098 JJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)nn1CC(F)(F)F ZINC000587092126 JJ Annotated Bother FC(F)(F)CSc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccn1 ZINC000587092158 JJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587092226 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccnc(Br)c3[nH]2)CC1 ZINC000587092265 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000587092279 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Br)nc3[nH]2)CC1 ZINC000587092281 JJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)nn1CC(F)(F)F ZINC000587092475 JJ Annotated Bother CCCCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587092510 JJ Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 ZINC000587092591 JJ Annotated Anodyne Cc1cc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC000587092727 JJ Annotated Bother CCOC(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092730 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cnc3[nH]2)CC1 ZINC000587092768 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnc4ccccc4c3[nH]2)CC1 ZINC000587092774 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 ZINC000587092802 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@](N)(c3ccccc3OCC)C(F)(F)F)nc2c1 ZINC000587092920 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@](N)(c3ccccc3OCC)C(F)(F)F)nc2c1 ZINC000587092922 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3c2)cc1 ZINC000587093018 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3c2)cc1 ZINC000587093020 JJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(F)(F)F ZINC000587093406 JJ Annotated Clean CCOc1ccccc1[C@@](N)(c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(F)(F)F ZINC000587093408 JJ Annotated Clean COC(=O)c1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587093500 JJ Annotated Anodyne COC(=O)c1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587093503 JJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(F)(F)F ZINC000587093820 JJ Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(F)(F)F ZINC000587093821 JJ Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(Br)c(F)c(F)c2[nH]1)C(F)(F)F ZINC000587093867 JJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)c(F)c(F)c2[nH]1)C(F)(F)F ZINC000587093868 JJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587094074 JJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C(F)(F)F)n1 ZINC000587094075 JJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094076 JJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094077 JJ Annotated Anodyne CCCOc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587094078 JJ Annotated Anodyne CCCOc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587094079 JJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(Br)ccc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094198 JJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(Br)ccc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094199 JJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094394 JJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094395 JJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094686 JJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094687 JJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094698 JJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094699 JJ Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587094908 JJ Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587094909 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 ZINC000587095589 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(N)cc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587095693 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)OC(C)(C)C4)-c1ccccc1C2=O ZINC000587095941 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([C@]1(O)C(=O)Nc3ccccc31)OC(C)(C)C4)-c1ccccc1C2=O ZINC000587095949 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]([C@]1(O)C(=O)Nc3ccccc31)OC(C)(C)C4)-c1ccccc1C2=O ZINC000587095951 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]([C@@]1(O)C(=O)Nc3ccccc31)OC(C)(C)C4)-c1ccccc1C2=O ZINC000587095953 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587096029 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H]4CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587096030 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587096031 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O)-c1ccccc1C2=O ZINC000587096032 JJ Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096059 JJ Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096060 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)[C@H](n1cncn1)[C@H]4c1ccccc1)-c1ccccc1C2=O ZINC000587096119 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)[C@H](n1cncn1)[C@@H]4c1ccccc1)-c1ccccc1C2=O ZINC000587096120 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)[C@@H](n1cncn1)[C@H]4c1ccccc1)-c1ccccc1C2=O ZINC000587096121 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)[C@@H](n1cncn1)[C@@H]4c1ccccc1)-c1ccccc1C2=O ZINC000587096122 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]41)-c1ccccc1C2=O ZINC000587096537 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]41)-c1ccccc1C2=O ZINC000587096541 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O ZINC000587096545 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O ZINC000587096548 JJ Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C)OC ZINC000587096600 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]4C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)-c1ccccc1C2=O ZINC000587097120 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]4C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C)-c1ccccc1C2=O ZINC000587097121 JJ Annotated Anodyne COC(=O)[C@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@H]1C(=O)OCc1ccccc1 ZINC000587097774 JJ Annotated Anodyne CC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097854 JJ Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097865 JJ Annotated Anodyne COC(=O)[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)CN1C(=O)OC(C)(C)C ZINC000587097920 JJ Annotated Anodyne COC(=O)[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)CN1C(=O)OC(C)(C)C ZINC000587097925 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]4C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)-c1ccccc1C2=O ZINC000587097954 JJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]4C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)-c1ccccc1C2=O ZINC000587097957 JJ Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c(C(=O)N5CCC[C@H](CO)C5)c4)nc13)-c1ccccc1C2=O ZINC000587098146 JJ Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c(C(=O)N5CCC[C@@H](CO)C5)c4)nc13)-c1ccccc1C2=O ZINC000587098148 JJ Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)ON4C(=O)CCC4=O)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587098363 JJ Annotated Mild CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC ZINC000587098369 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC ZINC000587098371 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC ZINC000587098372 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC ZINC000587098373 JJ Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2[C@H]1C(=O)OCc1ccccc1)-c1ccccc1C4=O ZINC000587098449 JJ Annotated Anodyne COc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587098634 JJ Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)CCN4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587098875 JJ Annotated Anodyne CC(=O)n1nc(N2C(=O)C=C(c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)C2=O)c2ccccc21 ZINC000587099011 JJ Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587100865 JJ Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C[S@](=O)CC(=O)O ZINC000587100913 JJ Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C[S@@](=O)CC(=O)O ZINC000587100918 JJ Annotated Anodyne CC(=O)Cc1c(-c2ccc(S(C)(=O)=O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101026 JJ Annotated Anodyne Cc1ccc2c3c(cc(Cc4nc(=NC(=O)c5ccccc5)s[nH]4)nc13)-c1ccccc1C2=O ZINC000587101309 JJ Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587101461 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5c(C)ccc6c5c(c4[C@H]3C2)-c2ccccc2C6=O)cc1 ZINC000587101554 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5c(C)ccc6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)cc1 ZINC000587101566 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]3C2)cc1 ZINC000587101569 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4nc5c(C)ccc6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)cc1 ZINC000587101575 JJ Annotated Anodyne Cc1ccc2c3c(c(CC(=O)NCCC(=O)O)c(-c4cccs4)nc13)-c1ccccc1C2=O ZINC000587101633 JJ Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CC(=O)c1ccc(S(C)(=O)=O)cc1)-c1ccccc1C3=O ZINC000587101912 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C2)cc1 ZINC000587102297 JJ Annotated Anodyne Cc1ccc2c3c(cc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)nc13)-c1ccccc1C2=O ZINC000587102387 JJ Annotated Anodyne CCOC(=O)[C@]1(CCBr)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587102485 JJ Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587102486 JJ Annotated Reactive CC(=O)N1CCN(c2ccc(F)cc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000587102542 JJ Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587102897 JJ Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Br)c(S(N)(=O)=O)c4)nc13)-c1ccccc1C2=O ZINC000587102932 JJ Annotated Anodyne CCn1ncc(I)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102991 JJ Annotated Anodyne Cc1c(I)cnn1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103297 JJ Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(S(=O)(=O)Cl)cc4)nc13)-c1ccccc1C2=O ZINC000587103332 JJ Annotated Unstable CCOC(=O)C(C(=O)OCC)c1nc2cccc3c2c(c1CC(F)(F)F)-c1ccccc1C3=O ZINC000587103368 JJ Annotated Anodyne O=C(N=c1nc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]s1)c1ccc(F)cc1 ZINC000587103730 JJ Annotated Anodyne Cc1nn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1I ZINC000587104096 JJ Annotated Anodyne CCn1cc(I)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587104237 JJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587104241 JJ Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](C(=O)C(F)(F)F)C1 ZINC000587104245 JJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](C(=O)C(F)(F)F)C1 ZINC000587104248 JJ Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](C(=O)C(F)(F)F)C1 ZINC000587104251 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C ZINC000587104736 JJ Annotated Anodyne O=C(CCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O)ON1C(=O)CCC1=O ZINC000587105001 JJ Annotated Mild CCOC(=O)[C@H]1c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000587105013 JJ Annotated Anodyne CCOC(=O)[C@@H]1c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000587105015 JJ Annotated Anodyne COC(=O)[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C(=O)OCc1ccccc1 ZINC000587105575 JJ Annotated Anodyne COC(=O)[C@H]1Cc2nc3cccc4c3c(c2[C@H]1C(=O)OCc1ccccc1)-c1ccccc1C4=O ZINC000587105664 JJ Annotated Anodyne Cc1cc(C)c(O)c(-c2nc3cccc4c3c(c2C2CC(=O)NC(=O)C2)-c2ccccc2C4=O)c1 ZINC000587105790 JJ Annotated Anodyne COc1c2c(c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c3c1OCO3)CCN(C)C2 ZINC000587105792 JJ Annotated Anodyne CC(=O)Oc1ccc(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1OC(C)=O ZINC000587105970 JJ Annotated Anodyne COc1ccc(C(=O)Cc2c(CCC(=O)O)nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587106078 JJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587106447 JJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587106448 JJ Annotated Anodyne COc1ccc(C(=O)CCc2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587106499 JJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106826 JJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106827 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4N/C3=C/N3CCOCC3)nc3cccc1c23 ZINC000587106927 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4N/C3=C\N3CCOCC3)nc3cccc1c23 ZINC000587106928 JJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 ZINC000587107041 JJ Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 ZINC000587107044 JJ Annotated Mild COc1cc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc(OC)c1OC ZINC000587107064 JJ Annotated Anodyne COc1cc(OC)c(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000587107077 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107230 JJ Annotated Anodyne C[C@@H]1CN(C(=O)[C@@H]2Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)CCN1C(=O)OC(C)(C)C ZINC000587107244 JJ Annotated Anodyne C[C@@H]1CN(C(=O)[C@H]2Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)CCN1C(=O)OC(C)(C)C ZINC000587107245 JJ Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(OC)c1OC ZINC000587107416 JJ Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587107723 JJ Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587107724 JJ Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H]([C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587107725 JJ Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H]([C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587107726 JJ Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3nc4cccc5c4c(c3C[C@@H]1N2C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587107888 JJ Annotated Anodyne COC(=O)[C@H]1C[C@H]2c3nc4cccc5c4c(c3C[C@@H]1N2C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587107899 JJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587107914 JJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587107920 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 ZINC000587108445 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 ZINC000587108461 JJ Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587108620 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 ZINC000587108803 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 ZINC000587108804 JJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)cc1 ZINC000587108960 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000587109019 JJ Annotated Clean CC1=C(c2ccc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587109100 JJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587109181 JJ Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587109202 JJ Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2n1 ZINC000587109235 JJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587109388 JJ Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587109458 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 ZINC000587109645 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 ZINC000587109831 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 ZINC000587110041 JJ Annotated Bother COc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cn1 ZINC000587110564 JJ Annotated Anodyne O=c1c(-c2nc3ncnc(Cl)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110603 JJ Annotated Anodyne O=c1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110605 JJ Annotated Bother COC(=O)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2n1 ZINC000587110609 JJ Annotated Anodyne O=c1c(-c2nc3nc(Cl)ncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110634 JJ Annotated Anodyne O=c1c(-c2nc3nc(Cl)c[nH]c-3n2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110728 JJ Annotated Anodyne O=c1c(-c2nc3cc(CO)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110746 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110747 JJ Annotated Anodyne COc1cncc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587110955 JJ Annotated Anodyne COC(=O)c1ccnc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587110967 JJ Annotated Anodyne COc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2n1 ZINC000587111039 JJ Annotated Anodyne Nc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1N ZINC000587111071 JJ Annotated Anodyne FC(F)(F)Oc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Cl ZINC000587111118 JJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3c2)cc1 ZINC000587111126 JJ Annotated Clean FC(F)(F)c1ccc(-c2nnn(Cc3nc4cccc(OCc5ccccc5)c4[nH]3)n2)cc1 ZINC000587111149 JJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587111434 JJ Annotated Bother CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587111435 JJ Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111647 JJ Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587111729 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111767 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111770 JJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587111938 JJ Annotated Anodyne Cc1c(Br)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1C ZINC000587111940 JJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587111945 JJ Annotated Anodyne COc1nccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587111986 JJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587112098 JJ Annotated Mild CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587112103 JJ Annotated Mild CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(I)cc2[nH]1 ZINC000587112113 JJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(I)cc2[nH]1 ZINC000587112118 JJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587112433 JJ Annotated Clean CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587112435 JJ Annotated Clean CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587112442 JJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587112451 JJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587112465 JJ Annotated Bother CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587112466 JJ Annotated Bother O=c1c(-c2nc3c(O)nccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112682 JJ Annotated Anodyne CCCOc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587112684 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cn1 ZINC000587112787 JJ Annotated Anodyne O=c1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112800 JJ Annotated Bother FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Br)cc(Cl)c4[nH]3)n2)cc1 ZINC000587112805 JJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(OCc5ccccc5)cc4[nH]3)n2)cc1 ZINC000587112817 JJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)cc(Br)c4[nH]3)n2)cc1 ZINC000587112854 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113056 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113063 JJ Annotated Anodyne O=C(CSCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113434 JJ Annotated Anodyne O=C(CSCc1nc2c(F)cnc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113839 JJ Annotated Anodyne O=C(CSCc1nc2ccc(Br)c(O)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113840 JJ Annotated Anodyne CC(C)Oc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587113875 JJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(I)c2[nH]1 ZINC000587114199 JJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(I)c2[nH]1 ZINC000587114201 JJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587114278 JJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587114281 JJ Annotated Anodyne O=C(CSCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114444 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114482 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(N5CCN(C)CC5)cc4[nH]3)nc2n1 ZINC000587114487 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)nc2n1 ZINC000587114525 JJ Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)nc2n1 ZINC000587114539 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587114693 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(OCCN(C)C)cc4[nH]3)nc2n1 ZINC000587114795 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587114800 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587114801 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)c(C(=O)OC)cc4[nH]3)nc2n1 ZINC000587114827 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)OC)c(OC)c4[nH]3)nc2n1 ZINC000587114842 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(OC)cc(OC)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114849 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)cc(C(=O)O)c4[nH]3)nc2n1 ZINC000587115007 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)c1C(F)(F)F ZINC000587115042 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)CC)cc4[nH]3)nc2n1 ZINC000587115051 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)c1C(F)(F)F ZINC000587115093 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115118 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cnc(C(F)(F)F)[nH]c-4n3)nc2n1 ZINC000587115238 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(CN5CCOCC5)cc4[nH]3)nc2n1 ZINC000587115255 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Cl)ncc(F)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115466 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)nc2n1 ZINC000587115484 JJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115532 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(=O)O)c(F)cc4[nH]3)nc2n1 ZINC000587115551 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4nc(Br)c[nH]c-4n3)nc2n1 ZINC000587115563 JJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)nc(C#N)c4[nH]3)nc2n1 ZINC000587115676 JJ Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 ZINC000587115905 JJ Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587116015 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587116079 JJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116228 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116240 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc1-2 ZINC000587116259 JJ Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587116492 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1)C(F)(F)F ZINC000587116522 JJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587116553 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587116891 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587116916 JJ Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587116940 JJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587116944 JJ Annotated Anodyne CCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587116955 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587117005 JJ Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117016 JJ Annotated Anodyne Fc1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587117155 JJ Annotated Anodyne Fc1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1Br ZINC000587117171 JJ Annotated Anodyne Fc1c(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1F ZINC000587117271 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117292 JJ Annotated Bother Fc1c(Br)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587117345 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587117374 JJ Annotated Bother Cc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117376 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117380 JJ Annotated Bother FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000587117405 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc-2[nH]1 ZINC000587117415 JJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587117549 JJ Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587117652 JJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587117656 JJ Annotated Anodyne CCCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587117712 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3c2)cc1 ZINC000587117729 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587117821 JJ Annotated Bother Nc1ccc(-c2ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3c2)cc1N ZINC000587117853 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)nc1C(F)(F)F ZINC000587117892 JJ Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(I)cnc3[nH]2)c(C2CC2)c1Cl ZINC000587117929 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117930 JJ Annotated Bother FC(F)(F)c1nn(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Br ZINC000587117946 JJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c21 ZINC000587117951 JJ Annotated Clean O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587117954 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587117960 JJ Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1Br ZINC000587118060 JJ Annotated Mild Cn1nc(C(F)(F)F)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587118069 JJ Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587118078 JJ Annotated Bother Cc1nc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1Br ZINC000587118126 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C(F)(F)F)c([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 ZINC000587118141 JJ Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)no2)n1 ZINC000587118145 JJ Annotated Mild Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587118374 JJ Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118465 JJ Annotated Bother Fc1cc(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587118571 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587118738 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118839 JJ Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587118848 JJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587118850 JJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1Br ZINC000587118879 JJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587118890 JJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587118894 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587118928 JJ Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119034 JJ Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)nc1C(F)(F)F ZINC000587119042 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587119068 JJ Annotated Bother FC(F)(F)c1nn(CCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1Br ZINC000587119070 JJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br ZINC000587119071 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587119076 JJ Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587119108 JJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119174 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCn5ccc(C(F)(F)F)n5)[nH]c4c3)o2)cc1 ZINC000587119402 JJ Annotated Anodyne N#Cc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1C(F)(F)F ZINC000587119450 JJ Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119495 JJ Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119521 JJ Annotated Bother Cc1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587119526 JJ Annotated Anodyne Fc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1Br ZINC000587119528 JJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587119551 JJ Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119609 JJ Annotated Bother Cc1cc(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119619 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)cc1 ZINC000587119715 JJ Annotated Anodyne Cc1c(Br)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119782 JJ Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587119813 JJ Annotated Anodyne FC(F)(F)c1nn(Cc2nc3c(Br)cnc(Br)c3[nH]2)c2c1CCCC2 ZINC000587119850 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587120012 JJ Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1OC ZINC000587120068 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1OC ZINC000587120139 JJ Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2[nH]1 ZINC000587120221 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120230 JJ Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3c2)NNC(=O)C1 ZINC000587120488 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120508 JJ Annotated Anodyne Nc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cn1 ZINC000587120611 JJ Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587120667 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1[N+](=O)[O-] ZINC000587120730 JJ Annotated Bother FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587120732 JJ Annotated Anodyne Nc1ccnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587120753 JJ Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cnncc4[nH]3)nn12 ZINC000587120922 JJ Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cncnc4[nH]3)nn12 ZINC000587121023 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587121028 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587121050 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587121066 JJ Annotated Anodyne CCCOc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Br ZINC000587121067 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587121081 JJ Annotated Anodyne Oc1nccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121104 JJ Annotated Anodyne Nc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1N ZINC000587121167 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587121190 JJ Annotated Anodyne Nc1nccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121192 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c21 ZINC000587121225 JJ Annotated Clean CCOC(=O)c1cc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 ZINC000587121440 JJ Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587121576 JJ Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5cc(OC(F)(F)F)ccc5nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587121803 JJ Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587122235 JJ Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 ZINC000587122781 JJ Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(I)cnc3[nH]2)c1 ZINC000587122901 JJ Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123210 JJ Annotated Anodyne Cc1cc(-c2nc3c(F)c(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123300 JJ Annotated Anodyne Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123667 JJ Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587123764 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CSCc3cccc(OC(F)(F)F)c3)nc-2[nH]1 ZINC000587124333 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587124413 JJ Annotated Anodyne Cc1cc(-c2nc3c(Br)c(F)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124680 JJ Annotated Anodyne Cc1cc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125289 JJ Annotated Clean Cc1cc(-c2nc3ncc(Br)c(Cl)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125453 JJ Annotated Anodyne Cc1cc(-c2nc3c(F)cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125807 JJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 ZINC000587126191 JJ Annotated Clean C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 ZINC000587126192 JJ Annotated Clean C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 ZINC000587126193 JJ Annotated Clean C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 ZINC000587126194 JJ Annotated Clean Cc1cc(-c2nc3c(Br)cc(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126247 JJ Annotated Anodyne Cc1cc(-c2nc3cc(F)c(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126352 JJ Annotated Anodyne Cc1cc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126361 JJ Annotated Mild O=S(=O)(c1ncccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1)C(F)(F)F ZINC000587126438 JJ Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Br)ncc(Br)c4[nH]3)n[nH]c2c1 ZINC000587126459 JJ Annotated Anodyne CCCCOc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br ZINC000587126553 JJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2N1 ZINC000587126592 JJ Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(Br)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126594 JJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2N1 ZINC000587126614 JJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2N1 ZINC000587126616 JJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2N1 ZINC000587126619 JJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587126904 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587126962 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587126963 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587126964 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587126965 JJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127001 JJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1)C(F)(F)F ZINC000587127009 JJ Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)ncc(I)c4[nH]3)n[nH]c2c1 ZINC000587127215 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587127296 JJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127386 JJ Annotated Mild O=S(=O)(c1ncccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1)C(F)(F)F ZINC000587127416 JJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127531 JJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127550 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c(F)c1Nc1ccccc1 ZINC000587127585 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)cc(C)c5[nH]4)nc3n2)cn1 ZINC000587127893 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)c(F)cc5[nH]4)nc3n2)cn1 ZINC000587127901 JJ Annotated Anodyne FC(F)c1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cnc2ncnn12 ZINC000587128020 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587128033 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)cc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128051 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)c(F)c(F)c5[nH]4)nc3n2)cn1 ZINC000587128075 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587128098 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587128120 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587128122 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587128144 JJ Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587128251 JJ Annotated Anodyne CCCCCOc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br ZINC000587128338 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(OC(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587128383 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(OC(F)(F)F)cc5[nH]4)nc3n2)cn1 ZINC000587128404 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Cl)c(C)c5[nH]4)nc3n2)cn1 ZINC000587128413 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587128470 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)cc(C(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587128497 JJ Annotated Anodyne Cc1cc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c(C)n1 ZINC000587128561 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6c(cc5[nH]4)OCCO6)c3n2)cnn1C ZINC000587128636 JJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128755 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)cnc5[nH]4)c3n2)cnn1C ZINC000587128819 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C(=O)O)c5[nH]4)c3n2)cnn1C ZINC000587128820 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)nc(C#N)c5[nH]4)c3n2)cnn1C ZINC000587128893 JJ Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)c3n2)cnn1C ZINC000587128929 JJ Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C#N)cc5[nH]4)c3n2)cnn1C ZINC000587128970 JJ Annotated Mild Cn1nc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129028 JJ Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6ccccc6cc5[nH]4)nc3n2)cn1 ZINC000587129087 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)ccc1OC(F)F ZINC000587129105 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)ccc1OC(F)F ZINC000587129106 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587129229 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587129230 JJ Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587129235 JJ Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587129236 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)ncc5[nH]4)c3n2)cnn1C ZINC000587129302 JJ Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1OC ZINC000587129305 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc([N+](=O)[O-])c5[nH]4)c3n2)cnn1C ZINC000587129306 JJ Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc([C@H](N)N=O)cc5[nH]4)c3n2)cnn1C ZINC000587129348 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc([C@@H](N)N=O)cc5[nH]4)c3n2)cnn1C ZINC000587129353 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(F)(F)F)cc5[nH]4)nc3n2)cn1 ZINC000587129401 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C#N)c5[nH]4)c3n2)cnn1C ZINC000587129414 JJ Annotated Mild CC(C)CCOc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br ZINC000587129426 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C#N)c(C#N)cc5[nH]4)c3n2)cnn1C ZINC000587129429 JJ Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)c(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587129454 JJ Annotated Anodyne COc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587129477 JJ Annotated Anodyne Cn1nc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129578 JJ Annotated Bother Cn1nc(-c2nc3ncc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129741 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Cl)ccnc5[nH]4)c3n2)cnn1C ZINC000587129861 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccnc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587129895 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=O)O)cc5[nH]4)c3n2)cnn1C ZINC000587129896 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)cc(C(=O)O)c5[nH]4)c3n2)cnn1C ZINC000587129924 JJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC(F)(F)C1 ZINC000587130032 JJ Annotated Anodyne COC(=O)c1cccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130232 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc([N+](=O)[O-])cc5[nH]4)c3n2)cnn1C ZINC000587130234 JJ Annotated Bother COc1cccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130248 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6cn[nH]c6cc5[nH]4)c3n2)cnn1C ZINC000587130254 JJ Annotated Anodyne Cn1nc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130272 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1OC(F)F ZINC000587130276 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1OC(F)F ZINC000587130277 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(C)(C)C)cc5[nH]4)nc3n2)cn1 ZINC000587130391 JJ Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1OC ZINC000587130461 JJ Annotated Anodyne COc1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2cc1OC ZINC000587130502 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6c(cc5[nH]4)OCO6)c3n2)cnn1C ZINC000587130526 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(=O)O)c(F)cc5[nH]4)c3n2)cnn1C ZINC000587130556 JJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cncc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587130558 JJ Annotated Anodyne C[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130594 JJ Annotated Anodyne C[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130597 JJ Annotated Anodyne Cn1nc(-c2nc3nccc(Br)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130618 JJ Annotated Anodyne COc1cc(OC)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 ZINC000587130716 JJ Annotated Anodyne Cn1nc(-c2nc3nc(Br)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130750 JJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)ccc1OC(F)F ZINC000587130751 JJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)ccc1OC(F)F ZINC000587130752 JJ Annotated Anodyne Cn1nc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130753 JJ Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130786 JJ Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130792 JJ Annotated Anodyne Cc1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2cc1[N+](=O)[O-] ZINC000587130810 JJ Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Cl)nc5[nH]4)c3n2)cnn1C ZINC000587130827 JJ Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587130840 JJ Annotated Anodyne C[C@@H](c1nc2cc(I)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130849 JJ Annotated Anodyne C[C@H](c1nc2cc(I)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130850 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(C)(C)C)c5[nH]4)nc3n2)cn1 ZINC000587130882 JJ Annotated Anodyne Cn1nc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130883 JJ Annotated Anodyne COc1cc(OC)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587130911 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2cc1OC ZINC000587130916 JJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(Br)ccc(Br)c3[nH]2)CC(F)(F)C1 ZINC000587130918 JJ Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 ZINC000587130995 JJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC(F)(F)C1 ZINC000587131006 JJ Annotated Anodyne Cn1nc(-c2nc3cnc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131007 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1 ZINC000587131010 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1 ZINC000587131011 JJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC(F)(F)C1 ZINC000587131116 JJ Annotated Anodyne Cn1nc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131129 JJ Annotated Bother CC(C)OC(=O)C1(c2nc3cc(Br)c(Br)cc3[nH]2)CC(F)(F)C1 ZINC000587131143 JJ Annotated Anodyne Cn1nc(-c2nc3c(Br)nccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131171 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(C(=O)OC(C)C)CC(F)(F)C5)[nH]c4c3)o2)cc1 ZINC000587131277 JJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC(F)(F)C1 ZINC000587131282 JJ Annotated Anodyne Cn1nc(-c2nc3c(Br)cncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131361 JJ Annotated Anodyne Cn1nc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131390 JJ Annotated Anodyne COC(=O)c1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587131884 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(F)CCCCC3)nc12 ZINC000587132016 JJ Annotated Anodyne Cc1c(F)cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1F ZINC000587132336 JJ Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1N ZINC000587132607 JJ Annotated Anodyne O=C(c1nc2c(Cl)ncc(I)c2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133272 JJ Annotated Anodyne Fc1c(F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c(F)c1S ZINC000587134914 JJ Annotated Anodyne Fc1c(F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c(F)c1S ZINC000587135287 JJ Annotated Anodyne O=S(=O)(NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135527 JJ Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(N)cc1F ZINC000587136790 JJ Annotated Anodyne Nc1cc(F)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1N ZINC000587136890 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 ZINC000587136910 JJ Annotated Anodyne Fc1cc(F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1Br ZINC000587136911 JJ Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587137126 JJ Annotated Anodyne Nc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1N ZINC000587137203 JJ Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3c2)cc1 ZINC000587138011 JJ Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587138554 JJ Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(I)cnc4[nH]3)c(F)c2)c1 ZINC000587138612 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138664 JJ Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(F)c2)c1 ZINC000587138758 JJ Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587138773 JJ Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(I)cnc4[nH]3)ccc2F)cc1F ZINC000587138912 JJ Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)ccc2F)cc1F ZINC000587138978 JJ Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1F ZINC000587139870 JJ Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cc(F)ccc1F ZINC000587139977 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1)c1cc(F)ccc1F ZINC000587139978 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587139984 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587140081 JJ Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587140082 JJ Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587140084 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587140085 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Cl ZINC000587140209 JJ Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1F ZINC000587140303 JJ Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587140360 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587140361 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587140431 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587140434 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587140463 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587140467 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587140506 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587140508 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1)c1cc(F)ccc1F ZINC000587140562 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cc(F)ccc1F ZINC000587140572 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587140668 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587140669 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cc(F)ccc1F ZINC000587140767 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1cc(F)ccc1F ZINC000587140807 JJ Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587140847 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587140856 JJ Annotated Mild Cc1nc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2cc1Br ZINC000587141055 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587141111 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc12 ZINC000587141177 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(S)ccc3F)nc1-2 ZINC000587141342 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000587141553 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000587141554 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587141704 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587141705 JJ Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc12 ZINC000587141733 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587141734 JJ Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587141741 JJ Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587141781 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587141783 JJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587141806 JJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587141809 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587141969 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587141984 JJ Annotated Anodyne COc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587142027 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587142156 JJ Annotated Anodyne COc1cncc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142171 JJ Annotated Anodyne COc1nccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142173 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587142257 JJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587142263 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587142315 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587142323 JJ Annotated Bother COC(=O)c1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587142326 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587142385 JJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142646 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142647 JJ Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1F ZINC000587142892 JJ Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1F ZINC000587142893 JJ Annotated Anodyne N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142927 JJ Annotated Anodyne N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142928 JJ Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2F)c1 ZINC000587143209 JJ Annotated Anodyne COc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143497 JJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F ZINC000587143687 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c2c1OC ZINC000587144193 JJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(I)cnc3[nH]2)cc1F ZINC000587144353 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c2c1OC ZINC000587144391 JJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2F)c1 ZINC000587144405 JJ Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(-c5ccc(C(=O)O)cc5C)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587144618 JJ Annotated Anodyne Cc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(F)c1 ZINC000587146759 JJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(F)c2)c1 ZINC000587146953 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cnc4[nH]3)cc2)cc1F ZINC000587147000 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)nc2cc1OC ZINC000587147023 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1OC ZINC000587147024 JJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587147400 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncc(Br)c4[nH]3)cc2)cc1F ZINC000587147430 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2c1OC ZINC000587147540 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)nc4[nH]3)cc2)cc1F ZINC000587147633 JJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587147692 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Br)ccnc4[nH]3)cc2)cc1F ZINC000587147799 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 ZINC000587147834 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)cc1F ZINC000587147842 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(=O)OC)c(OC)c4[nH]3)cc2)cc1F ZINC000587147936 JJ Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587147980 JJ Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587147981 JJ Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148023 JJ Annotated Anodyne O=C1C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148025 JJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccnc(Br)c4[nH]3)cc2)cc1F ZINC000587148061 JJ Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587148529 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc([N+](=O)[O-])c(F)c5)[nH]c4c3)o2)cc1 ZINC000587148827 JJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1F ZINC000587148988 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1 ZINC000587149158 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1 ZINC000587149159 JJ Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587149417 JJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587149476 JJ Annotated Bother N[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(F)cc1F ZINC000587149499 JJ Annotated Anodyne COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587149516 JJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1F ZINC000587149520 JJ Annotated Bother CCCOc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587150309 JJ Annotated Anodyne CCCOc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587150311 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587150645 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587150649 JJ Annotated Anodyne O=C1C[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150977 JJ Annotated Anodyne O=C1C[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150979 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Oc4ccc(F)c(F)c4)[nH]c3c2)cc1 ZINC000587151052 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc(F)c(F)c4)[nH]c3c2)cc1 ZINC000587151053 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccc(F)cc3F)nc1-2 ZINC000587151297 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccc(F)cc3F)nc1-2 ZINC000587151305 JJ Annotated Anodyne Oc1nc2cc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3cc2[nH]1 ZINC000587152669 JJ Annotated Anodyne O=C1COc2cc3[nH]c(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)nc3cc2N1 ZINC000587152909 JJ Annotated Anodyne N#Cc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1C#N ZINC000587153247 JJ Annotated Mild N[C@@H](N=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153256 JJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153257 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)cc1 ZINC000587153332 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)cc1 ZINC000587153333 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)cc1 ZINC000587153334 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)cc1 ZINC000587153335 JJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153380 JJ Annotated Anodyne CN1CCN(c2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)CC1 ZINC000587153518 JJ Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3nc(Br)c[nH]c-3n2)n1-c1ccccc1 ZINC000587153697 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c1 ZINC000587153757 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587153778 JJ Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587153871 JJ Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587153872 JJ Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153873 JJ Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153874 JJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1ccccc1F ZINC000587153934 JJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cccc(I)c2[nH]1)Nc1ccccc1F ZINC000587153935 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2c1 ZINC000587153969 JJ Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c1 ZINC000587153989 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587154000 JJ Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587154129 JJ Annotated Anodyne O=C(COc1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1)Nc1ccccc1F ZINC000587154200 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587154414 JJ Annotated Bother O=C(COc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1)Nc1ccccc1F ZINC000587154438 JJ Annotated Anodyne O=C(COc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Nc1ccccc1F ZINC000587154819 JJ Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2cc1Br ZINC000587154822 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c21 ZINC000587154868 JJ Annotated Clean CCCc1nc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)nn1-c1ccccc1F ZINC000587154997 JJ Annotated Clean CCCc1nc(-c2nc3c(Br)ncc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587155201 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587155431 JJ Annotated Anodyne CCCc1nc(-c2nc3c(Br)cc(C(=O)OCC)cc3[nH]2)nn1-c1ccccc1F ZINC000587156329 JJ Annotated Anodyne CCCc1nc(-c2nc3c(Cl)ncc(I)c3[nH]2)nn1-c1ccccc1F ZINC000587156859 JJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)o2)c1 ZINC000587156899 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587156960 JJ Annotated Mild Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)cnc4[nH]3)o2)c1 ZINC000587156979 JJ Annotated Anodyne Oc1c(Br)ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157153 JJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(F)cnc(Br)c4[nH]3)o2)c1 ZINC000587157230 JJ Annotated Anodyne COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Cl ZINC000587157263 JJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)o2)c1 ZINC000587157393 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587157395 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Cl ZINC000587157430 JJ Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)o2)c1 ZINC000587157901 JJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)o2)c1 ZINC000587157993 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158189 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587158190 JJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)ncc4[nH]3)o2)c1 ZINC000587158241 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587158372 JJ Annotated Anodyne Cc1nc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2cc1Br ZINC000587158490 JJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587158725 JJ Annotated Bother Fc1ccccc1-c1nnc(SCc2nc3c(S)nc(S)nc3[nH]2)n1-c1ccccc1 ZINC000587158872 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 ZINC000587159036 JJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587159185 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(COc5cc(F)ccc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587159205 JJ Annotated Bother COC(=O)c1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587159234 JJ Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587159237 JJ Annotated Bother Fc1ccc(Oc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cn2)c(Br)c1 ZINC000587159419 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159483 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159486 JJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587159739 JJ Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3cc(F)ccc3-n3cnc4ccccc43)nc-2[nH]1 ZINC000587159885 JJ Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587159910 JJ Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2Cl)c1 ZINC000587160593 JJ Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccc(Oc5ccc(F)cc5Br)nc4)nc3cc2N1 ZINC000587160862 JJ Annotated Anodyne Fc1cc(Br)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587160865 JJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161045 JJ Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cn2)c(Br)c1 ZINC000587161509 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587161893 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162268 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@@H]3c3cccc(F)c3)nc1-2 ZINC000587162274 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@H]3c3cccc(F)c3)nc1-2 ZINC000587162276 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]3c3cccc(F)c3)nc1-2 ZINC000587162278 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]3c3cccc(F)c3)nc1-2 ZINC000587162280 JJ Annotated Anodyne CC(C)Oc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587162889 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162900 JJ Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(F)cc1 ZINC000587163172 JJ Annotated Anodyne O=C1CC=C(c2nc3c(Br)ccc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163229 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5=CCC(=O)N(Cc6ccc(F)cc6)N5)[nH]c4c3)o2)cc1 ZINC000587163313 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(Br)c(Br)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163382 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163519 JJ Annotated Anodyne O=C1CC=C(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163526 JJ Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Nc1cccc(F)c1 ZINC000587163749 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163763 JJ Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587163936 JJ Annotated Anodyne CCCCOc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587163983 JJ Annotated Anodyne COC(=O)c1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587164172 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164176 JJ Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)Nc1cccc(F)c1 ZINC000587164204 JJ Annotated Anodyne O=C1CC=C(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164508 JJ Annotated Anodyne CCCOc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587164551 JJ Annotated Anodyne CC(C)COc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587164734 JJ Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587164736 JJ Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587164737 JJ Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587164901 JJ Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587165220 JJ Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1OC ZINC000587165410 JJ Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587165448 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)c(OC)cc3[nH]2)c1C ZINC000587165501 JJ Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 ZINC000587165520 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1C ZINC000587165601 JJ Annotated Anodyne O=C1CCc2cc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3cc2N1 ZINC000587165619 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165654 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1[N+](=O)[O-] ZINC000587165656 JJ Annotated Bother CN1CCN(c2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)CC1 ZINC000587165672 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2cc1OC ZINC000587165694 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1C ZINC000587165701 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)cc(OC)c3[nH]2)c1C ZINC000587165703 JJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165704 JJ Annotated Anodyne CC1=C(c2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)NNC(=O)C1 ZINC000587165712 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C ZINC000587165721 JJ Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587165722 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)nc(C#N)c3[nH]2)c1C ZINC000587165811 JJ Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1C ZINC000587165864 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OCCN(C)C)cc3[nH]2)c1C ZINC000587165872 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1C ZINC000587165894 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1C ZINC000587166008 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1C ZINC000587166013 JJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166162 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc-2[nH]1 ZINC000587166179 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C ZINC000587166221 JJ Annotated Bother Fc1ccc(-c2cn3c(Cc4nc5cc(I)cnc5[nH]4)csc3n2)cc1 ZINC000587166290 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C ZINC000587166351 JJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1C ZINC000587166367 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166479 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1)C(F)(F)F ZINC000587166643 JJ Annotated Anodyne Nc1ncnc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166710 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166751 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166752 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587166853 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587166854 JJ Annotated Clean O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(Br)c2[nH]1 ZINC000587166896 JJ Annotated Anodyne N=c1[nH]cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc-2[nH]1 ZINC000587166987 JJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587167008 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587167024 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587167025 JJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587167033 JJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(I)c2[nH]1 ZINC000587167085 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167226 JJ Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(I)cc2[nH]1 ZINC000587167247 JJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587167415 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl ZINC000587167456 JJ Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587167484 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c12 ZINC000587167739 JJ Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167755 JJ Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(O)nc(S)nc4[nH]3)c12 ZINC000587167756 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c12 ZINC000587167790 JJ Annotated Anodyne O=C(/C=C\c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587167887 JJ Annotated Anodyne O=C(/C=C/c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587167888 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587168069 JJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587168158 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587168421 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587168422 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587168473 JJ Annotated Mild O=C(O)c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587168505 JJ Annotated Anodyne Cc1nc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2cc1Br ZINC000587168506 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c12 ZINC000587168732 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c12 ZINC000587168739 JJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c12 ZINC000587168900 JJ Annotated Reactive Fc1ccc(-n2nnc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2C2CC2)cc1 ZINC000587168913 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 ZINC000587169107 JJ Annotated Anodyne CC(C)CCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169281 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)cc1N ZINC000587169318 JJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)cc1N ZINC000587169320 JJ Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169356 JJ Annotated Anodyne Cc1cc(Br)cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169360 JJ Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587169439 JJ Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587169440 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169594 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169595 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 ZINC000587169618 JJ Annotated Bother O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 ZINC000587169619 JJ Annotated Bother O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169661 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169662 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587169689 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587169690 JJ Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169717 JJ Annotated Anodyne Cc1c(Br)ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169718 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169742 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169743 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169833 JJ Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169842 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169974 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169976 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169980 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169982 JJ Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1 ZINC000587169984 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170025 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170027 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587170045 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587170046 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587170112 JJ Annotated Bother O=S(=O)(Nc1ccsc1-c1nc2cccc(I)c2[nH]1)c1ccc(F)cc1 ZINC000587170138 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170200 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170201 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170216 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170217 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587170237 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587170238 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170242 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170243 JJ Annotated Anodyne Cc1nc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1Br ZINC000587170292 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170345 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170347 JJ Annotated Anodyne N#Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587170397 JJ Annotated Mild N#Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587170406 JJ Annotated Mild O=c1c(-c2nc3ccc(I)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170502 JJ Annotated Anodyne O=c1c(-c2nc3cccc(I)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170539 JJ Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)cc1 ZINC000587170591 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587170652 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587170670 JJ Annotated Mild O=S(=O)(N[C@@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170785 JJ Annotated Bother O=S(=O)(N[C@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 ZINC000587170786 JJ Annotated Bother O=c1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170905 JJ Annotated Bother O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170956 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587170957 JJ Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170985 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587171079 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171227 JJ Annotated Anodyne CCCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587171351 JJ Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171356 JJ Annotated Mild O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587171397 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587171398 JJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587171408 JJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587171409 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171637 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587171777 JJ Annotated Anodyne COC(=O)c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587171824 JJ Annotated Anodyne O=c1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171879 JJ Annotated Anodyne O=c1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171889 JJ Annotated Anodyne C[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171897 JJ Annotated Anodyne C[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171899 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(F)cc6c5OCOC6)[nH]c4c3)o2)cc1 ZINC000587171921 JJ Annotated Anodyne CC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587171976 JJ Annotated Anodyne CC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587171977 JJ Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172037 JJ Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172038 JJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C#N)cc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172039 JJ Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1 ZINC000587172088 JJ Annotated Anodyne O=c1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172152 JJ Annotated Anodyne O=c1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172182 JJ Annotated Bother Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2cc1[N+](=O)[O-] ZINC000587172233 JJ Annotated Bother Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2cc1[N+](=O)[O-] ZINC000587172234 JJ Annotated Bother Cc1cc(F)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172262 JJ Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172264 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5ncccc5c4[nH]2)cn3C2CC2)C1 ZINC000587172292 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5ncccc5c4[nH]2)cn3C2CC2)C1 ZINC000587172293 JJ Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172353 JJ Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172355 JJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172545 JJ Annotated Mild N#Cc1cc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172547 JJ Annotated Mild COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C ZINC000587172565 JJ Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C ZINC000587172566 JJ Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)c(F)c(F)c4[nH]2)cn3C2CC2)CC1 ZINC000587172581 JJ Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1C ZINC000587172646 JJ Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1C ZINC000587172648 JJ Annotated Anodyne C[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172724 JJ Annotated Anodyne C[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172725 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172768 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587172769 JJ Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Cl ZINC000587172774 JJ Annotated Anodyne COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Cl ZINC000587172775 JJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C ZINC000587172804 JJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C ZINC000587172805 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172933 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172934 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172946 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172947 JJ Annotated Anodyne CCc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172953 JJ Annotated Anodyne CCc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172954 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c21 ZINC000587172964 JJ Annotated Clean N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587172976 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587172977 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnc5ccccc5c4[nH]2)cn3C2CC2)C1 ZINC000587172987 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnc5ccccc5c4[nH]2)cn3C2CC2)C1 ZINC000587172988 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173199 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173200 JJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1F ZINC000587173414 JJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1F ZINC000587173415 JJ Annotated Anodyne C[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173555 JJ Annotated Anodyne C[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173556 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173643 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173644 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173655 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587173656 JJ Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587173673 JJ Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(F)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587173675 JJ Annotated Anodyne C[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174323 JJ Annotated Anodyne C[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174324 JJ Annotated Anodyne COC(=O)c1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587175012 JJ Annotated Anodyne COC(=O)c1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587175015 JJ Annotated Anodyne C[C@@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175331 JJ Annotated Anodyne C[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175332 JJ Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587175913 JJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Cl)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176652 JJ Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2c1 ZINC000587176879 JJ Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc12 ZINC000587176915 JJ Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176954 JJ Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1C ZINC000587176964 JJ Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1C ZINC000587177053 JJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587177131 JJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587177307 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587178412 JJ Annotated Bother FC(F)(F)c1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(I)c1 ZINC000587178414 JJ Annotated Anodyne Cc1c(F)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178417 JJ Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178484 JJ Annotated Anodyne COc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1C ZINC000587178540 JJ Annotated Anodyne Ic1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1I ZINC000587178564 JJ Annotated Anodyne Fc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178613 JJ Annotated Anodyne COc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(I)c1 ZINC000587178624 JJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1OC ZINC000587178633 JJ Annotated Anodyne Ic1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1I ZINC000587178656 JJ Annotated Anodyne Fc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1F ZINC000587178665 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587178690 JJ Annotated Bother Fc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1F ZINC000587178705 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1[N+](=O)[O-] ZINC000587178732 JJ Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178770 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178774 JJ Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(I)c1 ZINC000587178778 JJ Annotated Bother Ic1ccc(I)c(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000587178785 JJ Annotated Anodyne Fc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1F ZINC000587178800 JJ Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178819 JJ Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178821 JJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1F ZINC000587178847 JJ Annotated Bother CC1=C(c2ccc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3c2)NNC(=O)C1 ZINC000587178901 JJ Annotated Anodyne O=C1CCc2cc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3cc2N1 ZINC000587178919 JJ Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178926 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587178931 JJ Annotated Anodyne Fc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2c(F)c1F ZINC000587178944 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178951 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587178969 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587179026 JJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179089 JJ Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179109 JJ Annotated Anodyne Fc1cc2nc(-c3cc(I)ccc3I)[nH]c2c(F)c1F ZINC000587179111 JJ Annotated Anodyne Cc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179121 JJ Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(I)c1 ZINC000587179149 JJ Annotated Anodyne COc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1F ZINC000587179315 JJ Annotated Anodyne Fc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179375 JJ Annotated Anodyne Cc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1F ZINC000587179380 JJ Annotated Anodyne Fc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179409 JJ Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179431 JJ Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179437 JJ Annotated Anodyne Cc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179462 JJ Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1F ZINC000587179487 JJ Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(I)c1 ZINC000587179524 JJ Annotated Bother Fc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179537 JJ Annotated Anodyne Cc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179545 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1OC ZINC000587179595 JJ Annotated Anodyne COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(I)c1 ZINC000587179655 JJ Annotated Bother Cn1nc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179849 JJ Annotated Reactive CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587179856 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587179859 JJ Annotated Anodyne COc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(I)c1 ZINC000587179864 JJ Annotated Clean COc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(I)c1 ZINC000587179883 JJ Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587179902 JJ Annotated Reactive CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587180035 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587180036 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587180037 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587180040 JJ Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587180049 JJ Annotated Bother COc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(I)c1 ZINC000587180093 JJ Annotated Anodyne Cn1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(I)c1C(=O)O ZINC000587180207 JJ Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587180252 JJ Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587180253 JJ Annotated Mild COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1 ZINC000587180746 JJ Annotated Bother COc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(I)c1 ZINC000587180762 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587180830 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587180893 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 ZINC000587180960 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 ZINC000587180961 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587180969 JJ Annotated Clean CC[C@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587180970 JJ Annotated Clean CC[C@@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587180971 JJ Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587180972 JJ Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587181011 JJ Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587181012 JJ Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587181046 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587181047 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(OC(F)(F)F)cccc2[nH]1 ZINC000587181148 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(OC(F)(F)F)cccc2[nH]1 ZINC000587181149 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587181274 JJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587181301 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587181449 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587181450 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000587181501 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000587181502 JJ Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1C ZINC000587181545 JJ Annotated Anodyne Cc1c(Br)cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1C ZINC000587181546 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587181552 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587181553 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587181566 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587181567 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587181583 JJ Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587181584 JJ Annotated Mild CC[C@@H](C)n1ncc(I)c1-c1nc2cc(I)ccc2[nH]1 ZINC000587181646 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(I)ccc2[nH]1 ZINC000587181647 JJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(I)cccc2[nH]1 ZINC000587181666 JJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(I)cccc2[nH]1 ZINC000587181667 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587181736 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587181737 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587181817 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587181818 JJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587181970 JJ Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587182001 JJ Annotated Reactive Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587182013 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587182014 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587182043 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587182085 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(I)ccc3Cl)nc1-2 ZINC000587182144 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587182270 JJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587182272 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587182278 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(I)ccc3F)[nH]c21 ZINC000587182342 JJ Annotated Clean Oc1nc(NCc2ccccc2)c2nc(-c3cc(I)ccc3Cl)nc-2[nH]1 ZINC000587182347 JJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587182372 JJ Annotated Anodyne CSc1sc(-c2nc3cccc(O)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182389 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587182450 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587182451 JJ Annotated Anodyne CSc1sc(-c2nc3ccc(C)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182550 JJ Annotated Anodyne CSc1sc(-c2nc3ccccc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182742 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587182750 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587182752 JJ Annotated Anodyne CSc1sc(-c2nc3cc(C)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182758 JJ Annotated Anodyne CSc1sc(-c2nc3c(C)nccc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182790 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587182820 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587182840 JJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587182961 JJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587182967 JJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(Cl)cc(I)c3)nc-2[nH]1 ZINC000587182984 JJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587182993 JJ Annotated Bother CCCOc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587183046 JJ Annotated Anodyne CCCOc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587183047 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587183117 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587183118 JJ Annotated Anodyne CSc1sc(-c2nc3cncc(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183151 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587183183 JJ Annotated Clean Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587183187 JJ Annotated Clean Fc1cnc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587183202 JJ Annotated Anodyne CSc1sc(-c2nc3cccc(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183293 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3cccc(I)c3)nc1-2 ZINC000587183298 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3cccc(I)c3)nc1-2 ZINC000587183307 JJ Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587183333 JJ Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587183334 JJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(Cl)cc(I)c3)nc1-2 ZINC000587183376 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587183388 JJ Annotated Bother Fc1ccc(I)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587183401 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1)C(F)(F)F ZINC000587183479 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1)C(F)(F)F ZINC000587183480 JJ Annotated Anodyne CSc1sc(-c2nc3c(C)ccnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183590 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183705 JJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183706 JJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587183873 JJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587183874 JJ Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184053 JJ Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587184062 JJ Annotated Anodyne CC[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184082 JJ Annotated Bother CC[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184083 JJ Annotated Bother FC(F)(F)Oc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587184088 JJ Annotated Anodyne CC(C)Oc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587184214 JJ Annotated Anodyne CC[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184232 JJ Annotated Anodyne CC[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184233 JJ Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184264 JJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587184343 JJ Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587184345 JJ Annotated Mild Ic1cccc(/C=C/c2nc3cccc(I)c3[nH]2)c1 ZINC000587184370 JJ Annotated Anodyne Ic1cccc(/C=C\c2nc3cccc(I)c3[nH]2)c1 ZINC000587184371 JJ Annotated Anodyne CC[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(I)c(C)n1 ZINC000587184403 JJ Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587184408 JJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587184410 JJ Annotated Anodyne CC[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184517 JJ Annotated Anodyne CC[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184525 JJ Annotated Anodyne CC[C@H](c1nc2cc(Br)cc(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184533 JJ Annotated Anodyne CC[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184534 JJ Annotated Anodyne CC[C@H](c1nc2ccc(Br)c(C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184559 JJ Annotated Anodyne CC[C@@H](c1nc2ccc(Br)c(C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184560 JJ Annotated Anodyne CC[C@H](c1nc2cc(Br)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184563 JJ Annotated Anodyne CC[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184564 JJ Annotated Anodyne CC[C@H](c1nc2cc(F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184586 JJ Annotated Anodyne CC[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184587 JJ Annotated Anodyne CC[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(I)c(C)n1 ZINC000587184609 JJ Annotated Bother Ic1cccc(/C=C\c2nc3ccc(I)cc3[nH]2)c1 ZINC000587184686 JJ Annotated Anodyne Ic1cccc(/C=C/c2nc3ccc(I)cc3[nH]2)c1 ZINC000587184687 JJ Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184834 JJ Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184836 JJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587184902 JJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587184904 JJ Annotated Anodyne CC[C@H](c1nc2cc(Br)cc(C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184956 JJ Annotated Anodyne CC[C@@H](c1nc2cc(Br)cc(C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184958 JJ Annotated Anodyne CC[C@H](c1nc2ccc(Br)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184991 JJ Annotated Anodyne CC[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184997 JJ Annotated Anodyne CC[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185005 JJ Annotated Mild CC[C@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185008 JJ Annotated Mild Brc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587185025 JJ Annotated Anodyne CC[C@H](c1nc2cc(C)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185062 JJ Annotated Anodyne CC[C@@H](c1nc2cc(C)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185063 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cncc(I)c5)[nH]c4c3)o2)cc1 ZINC000587185067 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587185170 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587185171 JJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587185201 JJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587185202 JJ Annotated Anodyne Cc1c(Br)cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1C ZINC000587185221 JJ Annotated Anodyne Cc1c(Br)cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1C ZINC000587185222 JJ Annotated Anodyne CC[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185275 JJ Annotated Anodyne CC[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185276 JJ Annotated Anodyne CC[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185290 JJ Annotated Anodyne CC[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185307 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3cncc(I)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587185463 JJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587185659 JJ Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587185660 JJ Annotated Bother CCCOc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587185687 JJ Annotated Anodyne CC[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185725 JJ Annotated Anodyne CC[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185727 JJ Annotated Anodyne CC[C@H](c1nc2ccc(F)c(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185975 JJ Annotated Anodyne CC[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185976 JJ Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587185983 JJ Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1I ZINC000587185984 JJ Annotated Reactive Cc1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186018 JJ Annotated Anodyne CC(C)CCOc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186030 JJ Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1C ZINC000587186058 JJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccnc4[nH]3)c2o1 ZINC000587186092 JJ Annotated Anodyne CC[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186217 JJ Annotated Anodyne CC[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186218 JJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587186309 JJ Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587186310 JJ Annotated Bother CCCCCOc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186351 JJ Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587186413 JJ Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587186415 JJ Annotated Anodyne CC[C@@H](c1nc2cc(C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186579 JJ Annotated Anodyne CC[C@H](c1nc2cc(C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186580 JJ Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186650 JJ Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cnccc4[nH]3)c2o1 ZINC000587186677 JJ Annotated Anodyne Clc1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186695 JJ Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1 ZINC000587186703 JJ Annotated Anodyne CCCCOc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186713 JJ Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186883 JJ Annotated Anodyne Cc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186890 JJ Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186904 JJ Annotated Anodyne N#C/C(=C/c1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587187070 JJ Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587187071 JJ Annotated Reactive Fc1c(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1F ZINC000587187377 JJ Annotated Anodyne Ic1cnc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cn12 ZINC000587187788 JJ Annotated Bother Nc1ccc(Oc2ccc3nc(-c4ccc5ncc(I)n5c4)[nH]c3c2)cc1 ZINC000587188082 JJ Annotated Clean Ic1cnc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cn12 ZINC000587188952 JJ Annotated Bother C[C@@H](C#N)c1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587189138 JJ Annotated Mild C[C@H](C#N)c1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587189139 JJ Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587189574 JJ Annotated Mild C#CCN(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189692 JJ Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587190070 JJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587190071 JJ Annotated Anodyne C#CCN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190216 JJ Annotated Mild C#CCN(Cc1nc2cc(OC)c(OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190271 JJ Annotated Mild C#CCN(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190279 JJ Annotated Mild C#CCN(Cc1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190348 JJ Annotated Mild C#CCN(Cc1nc2ccc(OCCN(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190663 JJ Annotated Mild C#CCN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190751 JJ Annotated Mild C#CCN(Cc1nc2cc(Cl)nc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190800 JJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587190803 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587190804 JJ Annotated Anodyne C#CCN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190869 JJ Annotated Mild C#CCN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190871 JJ Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587190904 JJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587190915 JJ Annotated Anodyne C#CCN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191478 JJ Annotated Mild C#CCN(Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191630 JJ Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587192037 JJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587192038 JJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000587192121 JJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000587192122 JJ Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192749 JJ Annotated Reactive C#CCN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193073 JJ Annotated Mild O=C(O)CCN(CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Cc1ccccc1 ZINC000587193077 JJ Annotated Anodyne O=C(O)CCN(CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193105 JJ Annotated Anodyne CN(CCc1nc2cc(Cl)nc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193115 JJ Annotated Mild C#CCN(Cc1nc2cccc(C(=O)OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193175 JJ Annotated Mild C#CCN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193183 JJ Annotated Mild CCCOc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Br ZINC000587193188 JJ Annotated Anodyne C#CCN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193212 JJ Annotated Mild CCCCN(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193254 JJ Annotated Mild CN(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193350 JJ Annotated Anodyne CCCCN(Cc1nc2c(O)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193377 JJ Annotated Anodyne C#CCN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193381 JJ Annotated Mild O=C(O)CCN(CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Cc1ccccc1 ZINC000587193409 JJ Annotated Anodyne CCCCN(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193443 JJ Annotated Anodyne CN(CCc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193520 JJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587193521 JJ Annotated Anodyne CN(CCc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193525 JJ Annotated Anodyne CN(CCc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193526 JJ Annotated Anodyne C#CCN(Cc1nc2cc(OC)cc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193567 JJ Annotated Mild O=C(O)CCN(CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Cc1ccccc1 ZINC000587193638 JJ Annotated Anodyne C#CCN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193658 JJ Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587193661 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587193662 JJ Annotated Anodyne COC(=O)c1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587193698 JJ Annotated Anodyne C#CCN(Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193716 JJ Annotated Mild COC(=O)c1cccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193727 JJ Annotated Anodyne O=C(O)CCN(CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193781 JJ Annotated Anodyne C#CCN(Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193793 JJ Annotated Mild C#CCN(Cc1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193801 JJ Annotated Mild CC(C)Oc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Br ZINC000587193812 JJ Annotated Anodyne CC(C)Oc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587193876 JJ Annotated Anodyne CC(C)Oc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587193882 JJ Annotated Anodyne CN(CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193900 JJ Annotated Bother C#CCN(Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193975 JJ Annotated Mild CC(C)COc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Br ZINC000587193989 JJ Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Cc1ccccc1 ZINC000587194015 JJ Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Br)c(Br)cc2[nH]1)Cc1ccccc1 ZINC000587194037 JJ Annotated Anodyne CN(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194039 JJ Annotated Anodyne O=C(O)CCN(CCc1nc2c(Br)ccc(Br)c2[nH]1)Cc1ccccc1 ZINC000587194060 JJ Annotated Anodyne C#CCN(Cc1nc2ccc(C(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194065 JJ Annotated Mild O=C(O)CCN(CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Cc1ccccc1 ZINC000587194076 JJ Annotated Anodyne C#CCN(Cc1nc2ccc(C(=O)OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194079 JJ Annotated Mild CN(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194082 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587194102 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587194103 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587194104 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587194105 JJ Annotated Anodyne CN(CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194126 JJ Annotated Anodyne CN(C)CCOc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194150 JJ Annotated Anodyne CN(CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194165 JJ Annotated Anodyne COC(=O)c1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587194170 JJ Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587194171 JJ Annotated Anodyne COC(=O)c1cc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587194174 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587194208 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587194209 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587194312 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587194313 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587194476 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587194477 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587194601 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587194602 JJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194628 JJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587194643 JJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587194644 JJ Annotated Anodyne CC(C)COc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194648 JJ Annotated Anodyne CC(C)COc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194650 JJ Annotated Anodyne COC(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194652 JJ Annotated Anodyne COC(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587194655 JJ Annotated Anodyne CN(CCc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194863 JJ Annotated Anodyne CCCOc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194899 JJ Annotated Anodyne CCCOc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194900 JJ Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587195073 JJ Annotated Anodyne CN(C)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)nc1 ZINC000587195152 JJ Annotated Bother Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587195225 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587195353 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587195354 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)c4ccc(N(C)C)cc4)[nH]c3c2)cc1 ZINC000587195754 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccc(N(C)C)cc4)[nH]c3c2)cc1 ZINC000587195755 JJ Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587195937 JJ Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587196423 JJ Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C[C@H]1CCCO1 ZINC000587196951 JJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C[C@@H]1CCCO1 ZINC000587196952 JJ Annotated Anodyne CC(C)[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C(=O)OCc1ccccc1 ZINC000587197517 JJ Annotated Anodyne CC(C)[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197518 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587197615 JJ Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587197744 JJ Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(N)ncnc2[nH]1 ZINC000587197927 JJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587198064 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587198171 JJ Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587198301 JJ Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198341 JJ Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587198342 JJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587198399 JJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587198404 JJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 ZINC000587198412 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587198605 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587198645 JJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587198826 JJ Annotated Clean CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587198862 JJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587198892 JJ Annotated Bother CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587199032 JJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000587199070 JJ Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587199329 JJ Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587199377 JJ Annotated Anodyne COC(=O)c1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587199383 JJ Annotated Anodyne C[C@@H](c1nc2c(S)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199400 JJ Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199430 JJ Annotated Reactive CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000587199585 JJ Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000587199642 JJ Annotated Anodyne CCCC[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199672 JJ Annotated Anodyne CCCC[C@@H](c1nc2c(O)nc(N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199684 JJ Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199778 JJ Annotated Anodyne CCCC[C@@H](c1nc2c(O)nc(O)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199822 JJ Annotated Anodyne CCC[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200097 JJ Annotated Mild C[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200303 JJ Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000587200372 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587200389 JJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587200739 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587200744 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587200780 JJ Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587200943 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587201365 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587201569 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)C(C)(C)C ZINC000587202393 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)C(C)(C)C ZINC000587202401 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587202909 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587202918 JJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587203955 JJ Annotated Clean O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1 ZINC000587204348 JJ Annotated Bother O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1 ZINC000587204349 JJ Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587204458 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587204616 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587205423 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587205424 JJ Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587205713 JJ Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587205718 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587205893 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587205894 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587206226 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587206230 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587206577 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587206578 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587206842 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587206844 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)C(C)(C)C ZINC000587206876 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)C(C)(C)C ZINC000587206878 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587208104 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587208106 JJ Annotated Anodyne NS(=O)(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000587208541 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3cccc4c3c(c2[C@H]2CC3(C[C@H]21)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587208883 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3cccc4c3c(c2[C@@H]2CC3(C[C@@H]12)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587208884 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3cccc4c3c(c2[C@@H]2CC3(C[C@H]12)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587208885 JJ Annotated Anodyne COC(=O)[C@@H]1c2nc3cccc4c3c(c2[C@H]2CC3(C[C@@H]21)OCC(C)(C)CO3)-c1ccccc1C4=O ZINC000587208886 JJ Annotated Anodyne O=C(O)Cc1c(-c2ccn(S(=O)(=O)c3ccccc3)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208975 JJ Annotated Anodyne CN(CCCC(=O)O)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587209169 JJ Annotated Anodyne O=C(O)Cc1c(-c2ccc(S(=O)(=O)Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209307 JJ Annotated Unstable COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CSc1nnnn1C ZINC000587209692 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5cccc6c5c(c4[C@H]3C2)-c2ccccc2C6=O)cc1 ZINC000587209843 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5cccc6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)cc1 ZINC000587209844 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4nc5cccc6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)cc1 ZINC000587209845 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]3C2)cc1 ZINC000587209846 JJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCO4)nc3cccc1c23 ZINC000587209981 JJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000587211453 JJ Annotated Bother O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000587211454 JJ Annotated Bother O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000587211455 JJ Annotated Bother O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000587211456 JJ Annotated Bother COc1cc(CC[C@H](O)Cc2nc3cccc4c3c(c2Cc2ccc(O)c(OC)c2)CC4)ccc1O ZINC000587214240 JJ Annotated Anodyne COc1cc(CC[C@@H](O)Cc2nc3cccc4c3c(c2Cc2ccc(O)c(OC)c2)CC4)ccc1O ZINC000587214241 JJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(Cc4c(nc5cccc6c5c4CC6)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587214441 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4CC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587214865 JJ Annotated Mild CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(C)cc1 ZINC000587216681 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(C)cc1 ZINC000587216682 JJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(C)cc1 ZINC000587216758 JJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(C)cc1 ZINC000587216759 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000587217752 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000587217754 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587217828 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587217831 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587217966 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587217972 JJ Annotated Anodyne COc1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587218409 JJ Annotated Anodyne COc1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587218410 JJ Annotated Anodyne COc1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587218773 JJ Annotated Anodyne COc1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587218782 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587218861 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587218865 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000587219166 JJ Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000587219167 JJ Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccccc1 ZINC000587219202 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccccc1 ZINC000587219203 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000587219711 JJ Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000587219712 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587219793 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587219794 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587219807 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587219815 JJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587220268 JJ Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587220270 JJ Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000587220475 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000587220477 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(I)cc2[nH]1)c1ccccc1 ZINC000587221157 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(I)cc2[nH]1)c1ccccc1 ZINC000587221163 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(I)c2[nH]1)c1ccccc1 ZINC000587221322 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(I)c2[nH]1)c1ccccc1 ZINC000587221323 JJ Annotated Anodyne N=c1[nH]c2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587221803 JJ Annotated Anodyne N=c1[nH]c2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587221805 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000587221961 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000587221964 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587222119 JJ Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587222121 JJ Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222309 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222313 JJ Annotated Anodyne Nc1ncnc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587222394 JJ Annotated Anodyne Nc1ncnc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587222397 JJ Annotated Anodyne Cc1cc2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587222553 JJ Annotated Bother Cc1cc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587222557 JJ Annotated Bother N#Cc1nc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2nc1C#N ZINC000587222910 JJ Annotated Mild N#Cc1nc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2nc1C#N ZINC000587222911 JJ Annotated Mild Nc1nccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222948 JJ Annotated Anodyne Nc1nccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222949 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1 ZINC000587222966 JJ Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1 ZINC000587222967 JJ Annotated Clean COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587223022 JJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587223196 JJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587223363 JJ Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587223680 JJ Annotated Bother CN[C@@H](c1cccnc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587223681 JJ Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587224220 JJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587224503 JJ Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587224557 JJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587225227 JJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587225337 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)C1CCCC1 ZINC000587225429 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)C1CCCC1 ZINC000587225440 JJ Annotated Anodyne Nc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cn1 ZINC000587225491 JJ Annotated Anodyne Nc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cn1 ZINC000587225493 JJ Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587225756 JJ Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587225757 JJ Annotated Anodyne CC(C)CCOc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587225796 JJ Annotated Anodyne CC(C)CCOc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587225797 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225837 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225839 JJ Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587225887 JJ Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587225896 JJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225927 JJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225929 JJ Annotated Anodyne CCCOc1cc2nc(CNC(=O)c3ccc(NC(=O)OCC)cc3)[nH]c2cc1Br ZINC000587226139 JJ Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587226280 JJ Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587226320 JJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587226449 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC000587227170 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC000587227171 JJ Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587227408 JJ Annotated Reactive CCOC(=O)CNc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587227601 JJ Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587227753 JJ Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587227946 JJ Annotated Mild O=C(NCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 ZINC000587228250 JJ Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587228274 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCCNc4cc(C)ccc4OC)[nH]c3c2)cc1 ZINC000587228440 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587228463 JJ Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587228624 JJ Annotated Mild O=C(NCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCc1ccccc1 ZINC000587228637 JJ Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587228817 JJ Annotated Mild COc1ccc(C)cc1NCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587228936 JJ Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587229287 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C2CC2)n1 ZINC000587229323 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(I)cnc3[nH]2)c(C2CC2)n1 ZINC000587229534 JJ Annotated Anodyne Cc1nc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2cc1Br ZINC000587229890 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C2CC2)n1 ZINC000587229926 JJ Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2cc1Br ZINC000587230176 JJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587230289 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587230300 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587230333 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587230353 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587230619 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230626 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cncc(Br)c2[nH]1 ZINC000587230630 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C2CC2)n1 ZINC000587230636 JJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587230655 JJ Annotated Mild Clc1ncc(I)c2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587230686 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 ZINC000587230702 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1 ZINC000587230741 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(C2CC2)n1 ZINC000587230785 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C2CC2)n1 ZINC000587230794 JJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587230905 JJ Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587230910 JJ Annotated Mild CCCCCOc1cc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231006 JJ Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231007 JJ Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231008 JJ Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587231009 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587231037 JJ Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587231155 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587231281 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587231303 JJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587231388 JJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587231557 JJ Annotated Mild CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587231630 JJ Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587231690 JJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587231746 JJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587231747 JJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587231748 JJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587231749 JJ Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231849 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587231937 JJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587231984 JJ Annotated Anodyne CCCCOc1cc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587232108 JJ Annotated Anodyne CCCCOc1cc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587232109 JJ Annotated Anodyne CCCCOc1cc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587232110 JJ Annotated Anodyne CCCCOc1cc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587232111 JJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C(=O)OC)cc(Br)c4[nH]3)c2)c1 ZINC000587232165 JJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4c(Cl)c(Br)cnc4[nH]3)c2)c1 ZINC000587232380 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587232433 JJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587232532 JJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587232533 JJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587232534 JJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587232535 JJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587232666 JJ Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587232771 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587232845 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233333 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233366 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233633 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587233658 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCC(O)CC1 ZINC000587233711 JJ Annotated Anodyne CC(C)Oc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587233783 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587234042 JJ Annotated Anodyne CC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCC(C)CC1 ZINC000587234480 JJ Annotated Anodyne CCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587234674 JJ Annotated Anodyne CC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCC(C)CC1 ZINC000587234689 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCC(O)CC1 ZINC000587234865 JJ Annotated Anodyne CC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCC(C)CC1 ZINC000587234903 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587234930 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587235030 JJ Annotated Anodyne CC(C)Oc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587235195 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCC(=O)CC1 ZINC000587235757 JJ Annotated Anodyne CCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587236070 JJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 ZINC000587236448 JJ Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(O)CC4)[nH]c3c2)cc1 ZINC000587236603 JJ Annotated Anodyne COC(=O)c1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587236697 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCC(O)CC1 ZINC000587236860 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC(O)CC1 ZINC000587236909 JJ Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236938 JJ Annotated Anodyne COc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2n1 ZINC000587237057 JJ Annotated Anodyne Cc1cnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237104 JJ Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCO4)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237111 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC(O)CC1 ZINC000587237243 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC(O)CC1 ZINC000587237255 JJ Annotated Anodyne O=C(NC1(c2nc3ccc(C(=O)O)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237302 JJ Annotated Anodyne Cc1cncc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237310 JJ Annotated Anodyne O=C(NC1(c2nc3c(Cl)ncnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237313 JJ Annotated Anodyne COc1nccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237334 JJ Annotated Anodyne O=C(NC1(c2nc3ccc(CCO)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237341 JJ Annotated Anodyne O=C(NC1(c2nc3ccc(O)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237357 JJ Annotated Anodyne N#Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1C#N ZINC000587237402 JJ Annotated Mild COC(=O)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237430 JJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237446 JJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237448 JJ Annotated Anodyne Cc1nccc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587237454 JJ Annotated Anodyne O=C(NC1(c2nc3cccc(O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237456 JJ Annotated Anodyne Nc1nc(O)c2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2n1 ZINC000587237496 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCC(O)CC1 ZINC000587237553 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCC(O)CC1 ZINC000587237554 JJ Annotated Anodyne O=C(NC1(c2nc3cnc(Cl)[nH]c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237651 JJ Annotated Anodyne COc1cncc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237657 JJ Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2n1 ZINC000587237661 JJ Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237681 JJ Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cn1 ZINC000587237699 JJ Annotated Anodyne O=C(NC1(c2nc3cc(F)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237700 JJ Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237735 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC(O)CC1 ZINC000587237749 JJ Annotated Anodyne O=C(NC1(c2nc3ccc(CO)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237916 JJ Annotated Anodyne N#Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237936 JJ Annotated Mild COc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237993 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238066 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238068 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238070 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238071 JJ Annotated Bother Cc1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587238148 JJ Annotated Anodyne O=C(NC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238186 JJ Annotated Anodyne O=C(NC1(c2nc3nc(Cl)c[nH]c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238226 JJ Annotated Anodyne N#Cc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587238277 JJ Annotated Mild Cc1nc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2cc1Br ZINC000587238308 JJ Annotated Anodyne Cc1nc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2cc1Br ZINC000587238309 JJ Annotated Anodyne Cc1nc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2cc1Br ZINC000587238310 JJ Annotated Anodyne Cc1nc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2cc1Br ZINC000587238311 JJ Annotated Anodyne COc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238450 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238532 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238533 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238534 JJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238536 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238554 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238555 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238556 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238558 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238788 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238789 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238790 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238791 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(I)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238897 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(I)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238900 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(I)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238901 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(I)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238902 JJ Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1C ZINC000587238985 JJ Annotated Anodyne COc1ccc(-c2nc3c(N)ncnc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239051 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc12 ZINC000587239096 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc12 ZINC000587239097 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc12 ZINC000587239098 JJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc12 ZINC000587239099 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239143 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239144 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239145 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239146 JJ Annotated Bother Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1C ZINC000587239249 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239274 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239277 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239281 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239282 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239664 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239665 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239666 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239667 JJ Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(I)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239829 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(I)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239830 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(I)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239831 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(I)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239832 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239948 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239949 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239951 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239952 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c1 ZINC000587240011 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240038 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240041 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240042 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240043 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240060 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240061 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240062 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240063 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240067 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240068 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240069 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240070 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240303 JJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240305 JJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240306 JJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240307 JJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240464 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240465 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240466 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240467 JJ Annotated Anodyne O=C(NC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587240795 JJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587240856 JJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(O)c1 ZINC000587240875 JJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)c(O)c1 ZINC000587240902 JJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(O)c1 ZINC000587240909 JJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(O)c1 ZINC000587241152 JJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c(O)c1 ZINC000587241162 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587241794 JJ Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587241913 JJ Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587242098 JJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587242322 JJ Annotated Anodyne N=c1[nH]cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc-2[nH]1 ZINC000587243287 JJ Annotated Anodyne N=c1[nH]cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc-2[nH]1 ZINC000587243921 JJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587243956 JJ Annotated Anodyne Nc1ncnc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587244286 JJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244844 JJ Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(O)nc(O)nc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245074 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 ZINC000587245211 JJ Annotated Anodyne Nc1ncnc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587245485 JJ Annotated Anodyne CCCCCCCCOc1cc2nc(CCOCCOCCN)[nH]c2cc1Br ZINC000587245699 JJ Annotated Mild NCCOCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587246000 JJ Annotated Reactive COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)C2 ZINC000587246189 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)C2 ZINC000587246191 JJ Annotated Anodyne COC(=O)c1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587246939 JJ Annotated Anodyne COC(=O)c1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587246943 JJ Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587247193 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000587247251 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000587247252 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C2 ZINC000587247618 JJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C2 ZINC000587247619 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(N)CCc6cc(OC)ccc6C5)[nH]c4c3)o2)cc1 ZINC000587247662 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(N)CCc6cc(OC)ccc6C5)[nH]c4c3)o2)cc1 ZINC000587247663 JJ Annotated Anodyne N#Cc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1N ZINC000587248557 JJ Annotated Mild COc1cc(C)c(N)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587250381 JJ Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587252342 JJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cn1 ZINC000587253697 JJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cn1 ZINC000587254023 JJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cn1 ZINC000587254206 JJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(-c6cnc(N)nc6)c5)[nH]c4c3)o2)cc1 ZINC000587254996 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587255142 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587256394 JJ Annotated Anodyne C=CC[C@@](C)(N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587257771 JJ Annotated Mild CC(C)(C)[C@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587257966 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 ZINC000587258457 JJ Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587258509 JJ Annotated Bother N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587259171 JJ Annotated Bother CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259633 JJ Annotated Bother CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259635 JJ Annotated Bother CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259637 JJ Annotated Bother CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259638 JJ Annotated Bother CCCCCCCCOc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br ZINC000587260189 JJ Annotated Mild [N-]=[N+]=NCCCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587260649 JJ Annotated Clean C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587260694 JJ Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587260696 JJ Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587260698 JJ Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587260700 JJ Annotated Bother COc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260726 JJ Annotated Bother COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260758 JJ Annotated Bother COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260789 JJ Annotated Bother COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260806 JJ Annotated Bother COC(=O)c1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587261062 JJ Annotated Bother COc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261087 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(OC)cc([N+](=O)[O-])c5OC)[nH]c4c3)o2)cc1 ZINC000587261208 JJ Annotated Bother COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261226 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587261326 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587261327 JJ Annotated Bother CCCCCOc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261402 JJ Annotated Mild COCCNc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261438 JJ Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261439 JJ Annotated Mild COCCNc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261449 JJ Annotated Bother COCCNc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261501 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587261532 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587261534 JJ Annotated Bother COCCNc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261542 JJ Annotated Bother COc1cc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261618 JJ Annotated Bother COCCNc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261686 JJ Annotated Bother Cc1cc(C#Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261713 JJ Annotated Mild CC(C)CCOc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261727 JJ Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C#Cc5ccc([N+](=O)[O-])c(C)c5)[nH]c4c3)o2)cc1 ZINC000587261737 JJ Annotated Mild COCCNc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261812 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587261840 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587261843 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587261964 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587261965 JJ Annotated Bother COCCNc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261979 JJ Annotated Bother COc1cc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261986 JJ Annotated Bother COCCNc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262088 JJ Annotated Bother Cc1cc(C#Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262160 JJ Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262168 JJ Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262169 JJ Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262170 JJ Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262171 JJ Annotated Bother COCCNc1ccc(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262393 JJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262491 JJ Annotated Bother CCCCOc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587262498 JJ Annotated Mild COCCNc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262582 JJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(OCc5ccccc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262987 JJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263101 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587263140 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587263142 JJ Annotated Bother COc1cc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263206 JJ Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587263292 JJ Annotated Bother COc1cc(OCc2nc3c(Br)ccc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263301 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587263328 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587263329 JJ Annotated Bother COc1cc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263389 JJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cccc(OCc5ccccc5)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263407 JJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263501 JJ Annotated Bother COc1cc(OCc2nc3cc(Br)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263594 JJ Annotated Bother COc1cc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263597 JJ Annotated Bother COc1cc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263604 JJ Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263605 JJ Annotated Bother COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587263626 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587263951 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587263954 JJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587264051 JJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587264052 JJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587264053 JJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587264054 JJ Annotated Bother CCCCCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587264148 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587264398 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587264399 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587264428 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587264429 JJ Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000587264479 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264503 JJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264506 JJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587264508 JJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587264510 JJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587264511 JJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587264512 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264529 JJ Annotated Bother COCCOc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264594 JJ Annotated Bother COCCOc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264684 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264694 JJ Annotated Bother COCCOc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264716 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587264864 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587264865 JJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587265050 JJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587265051 JJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587265052 JJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587265054 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265095 JJ Annotated Bother CC(C)CCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587265179 JJ Annotated Bother COCCOc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265217 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587265258 JJ Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587265262 JJ Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587265348 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587265350 JJ Annotated Bother COC(=O)c1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 ZINC000587265546 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587265614 JJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587265617 JJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265701 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587265722 JJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587265895 JJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587265898 JJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587265902 JJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587265906 JJ Annotated Bother COCCOc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266005 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C#N)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266264 JJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000587266341 JJ Annotated Bother COCCOc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266388 JJ Annotated Bother COCCOc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266412 JJ Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587266420 JJ Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587266456 JJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587266866 JJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587266868 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(I)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267512 JJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587267690 JJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587267691 JJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587267698 JJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587267700 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267870 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(Cc5c([N+](=O)[O-])cnn5C(C)C)[nH]c4c3)o2)cc1 ZINC000587267890 JJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1[N+](=O)[O-] ZINC000587268010 JJ Annotated Clean Cc1nn(Cc2ccccc2-c2nc3ccc(I)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268089 JJ Annotated Bother COC(=O)c1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587268455 JJ Annotated Bother Cc1oc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000587268568 JJ Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 ZINC000587268731 JJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)nn2)c1 ZINC000587268796 JJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587268991 JJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587269021 JJ Annotated Bother CC(C)COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587269107 JJ Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000587269109 JJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)nn2)c1 ZINC000587269221 JJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc([N+](=O)[O-])cc5C=O)[nH]c4c3)o2)cc1 ZINC000587269418 JJ Annotated Bother COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587269423 JJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)nn2)c1 ZINC000587269659 JJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)nn2)c1 ZINC000587269738 JJ Annotated Bother CC(C)CCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587269754 JJ Annotated Bother CCCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587269780 JJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587269815 JJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587270023 JJ Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587270028 JJ Annotated Bother Cc1c(Br)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1C ZINC000587270241 JJ Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000587270279 JJ Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000587270322 JJ Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587270459 JJ Annotated Bother O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587270566 JJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587270773 JJ Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000587270815 JJ Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587270829 JJ Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1 ZINC000587271993 JJ Annotated Bother O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)cc1 ZINC000587272473 JJ Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 ZINC000587272827 JJ Annotated Bother O=C(c1ccc(Br)cc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587272866 JJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 ZINC000587273210 JJ Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587273351 JJ Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587273355 JJ Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 ZINC000587273633 JJ Annotated Bother O=C(c1cc(Br)cc(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587274695 JJ Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587274776 JJ Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587274777 JJ Annotated Bother Cc1ccc(OCc2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)o2)c([N+](=O)[O-])c1 ZINC000587275466 JJ Annotated Bother O=C(OCc1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 ZINC000587275475 JJ Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 ZINC000587275821 JJ Annotated Anodyne O=C(c1ccc(OC(F)(F)F)c(Cl)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275929 JJ Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(I)cnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276079 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(I)cnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276080 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(I)cnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276081 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(I)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276082 JJ Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587276083 JJ Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587276085 JJ Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587276086 JJ Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587276087 JJ Annotated Clean O=C(/C=C/c1ccc(Br)cc1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276145 JJ Annotated Mild O=C(c1ccc2nc(Cl)c(Cl)nc2c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276233 JJ Annotated Anodyne C[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276307 JJ Annotated Bother C[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276308 JJ Annotated Bother O=C(c1sc2cc3c(cc2c1Cl)OCO3)c1c(CO)oc2cc(Br)cnc12 ZINC000587276506 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587276553 JJ Annotated Clean CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587276554 JJ Annotated Clean CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587276555 JJ Annotated Clean CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587276556 JJ Annotated Clean O=C(c1cc2c(ccc3ccccc32)oc1=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276614 JJ Annotated Bother O=C(c1cc(F)c(Br)cc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276750 JJ Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587276947 JJ Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587276949 JJ Annotated Bother O=C(c1ccc(Cl)cc1I)c1c(CO)oc2cc(Br)cnc12 ZINC000587276960 JJ Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 ZINC000587277066 JJ Annotated Bother O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587277088 JJ Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277516 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277517 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277518 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277519 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@@H]1CC=C[C@@H]21 ZINC000587277598 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@@H]1CC=C[C@H]21 ZINC000587277599 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@H]1CC=C[C@@H]21 ZINC000587277600 JJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@H]1CC=C[C@H]21 ZINC000587277601 JJ Annotated Clean N#Cc1ccc2c(C(=O)CCS(=O)(=O)c3nc(-c4cccs4)cc(C(F)(F)F)n3)coc2c1 ZINC000587277643 JJ Annotated Mild O=C(Cl)[C@H](Br)CC[C@@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279980 JJ Annotated Reactive O=C(Cl)[C@@H](Br)CC[C@@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279986 JJ Annotated Reactive O=C(Cl)[C@@H](Br)CC[C@H](Br)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279988 JJ Annotated Reactive O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H](Br)CC[C@@H](Br)C(=O)Cl ZINC000587279989 JJ Annotated Reactive O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280278 JJ Annotated Bother O=Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587319221 JJ Annotated Reactive O=Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587319223 JJ Annotated Reactive O=Cc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587319226 JJ Annotated Reactive O=Cc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587319228 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587319697 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587319698 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587319699 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587319700 JJ Annotated Reactive O=C(O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587320079 JJ Annotated Reactive O=C(O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587320082 JJ Annotated Reactive O=C(O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587320085 JJ Annotated Reactive O=C(O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587320089 JJ Annotated Reactive COC(=O)[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320577 JJ Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320579 JJ Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320582 JJ Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320591 JJ Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320592 JJ Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320593 JJ Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320594 JJ Annotated Anodyne Cc1cc(Br)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320595 JJ Annotated Anodyne O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587320829 JJ Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587320846 JJ Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587320849 JJ Annotated Anodyne O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587320851 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320861 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320862 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587320867 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587320870 JJ Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321354 JJ Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321356 JJ Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321358 JJ Annotated Anodyne COC(=O)[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321361 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321431 JJ Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321437 JJ Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321573 JJ Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321574 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2COc3ccccc3O2)[C@H]1c1ccc(F)cc1 ZINC000587321667 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)cc1 ZINC000587321668 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)cc1 ZINC000587321670 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)([C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)cc1 ZINC000587321672 JJ Annotated Reactive COc1ccnc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587321703 JJ Annotated Reactive COc1ccnc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587321709 JJ Annotated Reactive COc1ccnc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587321712 JJ Annotated Reactive COc1ccnc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587321714 JJ Annotated Reactive O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587321877 JJ Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587321880 JJ Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587321882 JJ Annotated Anodyne O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587321883 JJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322013 JJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322016 JJ Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322018 JJ Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322019 JJ Annotated Anodyne COC(=O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322077 JJ Annotated Reactive COC(=O)c1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322078 JJ Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322079 JJ Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322080 JJ Annotated Reactive Cc1nc(O)c(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322096 JJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322098 JJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322101 JJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322103 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587322124 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587322125 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587322127 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587322128 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587322155 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587322156 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587322157 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587322159 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587322205 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587322207 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587322211 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587322213 JJ Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322284 JJ Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322287 JJ Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322288 JJ Annotated Anodyne Cc1oc2nc(Br)nn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322290 JJ Annotated Anodyne C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322401 JJ Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322402 JJ Annotated Reactive C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322404 JJ Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322408 JJ Annotated Reactive COC(=O)C[C@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322409 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322416 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322424 JJ Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322429 JJ Annotated Anodyne O=C[C@@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322462 JJ Annotated Mild O=C[C@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322465 JJ Annotated Mild O=C[C@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322466 JJ Annotated Mild O=C[C@@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322467 JJ Annotated Mild COC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322923 JJ Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322924 JJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322925 JJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322926 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322965 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322968 JJ Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322971 JJ Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322974 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2Br ZINC000587323501 JJ Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587323502 JJ Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587323503 JJ Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2Br ZINC000587323504 JJ Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323562 JJ Annotated Reactive CCOC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323565 JJ Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323566 JJ Annotated Reactive CCOC(=O)C(C)(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323568 JJ Annotated Reactive CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323667 JJ Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323669 JJ Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323670 JJ Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587323672 JJ Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587323673 JJ Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587323674 JJ Annotated Anodyne Cc1ccc2c(c1Br)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587323675 JJ Annotated Anodyne Cc1ccc2c(c1Br)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587323676 JJ Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587323677 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587323678 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587323679 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587323680 JJ Annotated Reactive COC(=O)c1cc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000587323771 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 ZINC000587323772 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 ZINC000587323773 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 ZINC000587323774 JJ Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323792 JJ Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323794 JJ Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323797 JJ Annotated Anodyne Cc1cc(Br)cc2c1N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323800 JJ Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323831 JJ Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323833 JJ Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323834 JJ Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323836 JJ Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323841 JJ Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323842 JJ Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323843 JJ Annotated Anodyne Cc1cc2c(cc1Br)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323844 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587323879 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587323880 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587323881 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc2O1 ZINC000587323882 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587323980 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587323981 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587323983 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587323986 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324054 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324055 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324060 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324062 JJ Annotated Anodyne N#CC[C@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324072 JJ Annotated Mild N#CC[C@@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324073 JJ Annotated Mild N#CC[C@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324074 JJ Annotated Mild N#CC[C@@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324075 JJ Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(CCNc3nc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324107 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3nc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324108 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCNc3nc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324174 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3nc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324176 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324191 JJ Annotated Reactive O=C(O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324193 JJ Annotated Reactive O=C(O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324194 JJ Annotated Reactive O=C(O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324195 JJ Annotated Reactive O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587324223 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587324224 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587324225 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc2O1 ZINC000587324226 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324256 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324258 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324262 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324263 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324362 JJ Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324371 JJ Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324373 JJ Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](Br)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324375 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587324419 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587324420 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587324421 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587324423 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587324425 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587324427 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587324428 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587324429 JJ Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324507 JJ Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324508 JJ Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324509 JJ Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324510 JJ Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Br ZINC000587324512 JJ Annotated Anodyne Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Br ZINC000587324514 JJ Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Br ZINC000587324515 JJ Annotated Anodyne Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Br ZINC000587324516 JJ Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324558 JJ Annotated Anodyne Cc1cc2c(cc1Br)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324559 JJ Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324560 JJ Annotated Anodyne Cc1cc2c(cc1Br)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587324561 JJ Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324570 JJ Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324571 JJ Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324572 JJ Annotated Anodyne Cc1ccc(Br)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324573 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324656 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324657 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324658 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324659 JJ Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324700 JJ Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324701 JJ Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324702 JJ Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587324703 JJ Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 ZINC000587324855 JJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 ZINC000587324858 JJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 ZINC000587324859 JJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1nc[nH]n1 ZINC000587324861 JJ Annotated Reactive C#CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324919 JJ Annotated Mild C#CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324922 JJ Annotated Mild C#CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324923 JJ Annotated Mild C#CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324926 JJ Annotated Mild CN1C(=O)CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587324957 JJ Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587324960 JJ Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587324961 JJ Annotated Reactive CN1C(=O)CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587324963 JJ Annotated Reactive CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587324977 JJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587324978 JJ Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587325003 JJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587325004 JJ Annotated Anodyne C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325077 JJ Annotated Reactive C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325079 JJ Annotated Reactive C[C@]1([C@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325081 JJ Annotated Reactive C[C@]1([C@@H](Cc2ccccc2)NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325083 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325084 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325086 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325087 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325089 JJ Annotated Anodyne C[C@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325099 JJ Annotated Anodyne C[C@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325101 JJ Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325103 JJ Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325105 JJ Annotated Anodyne CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325188 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325189 JJ Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325190 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325191 JJ Annotated Reactive C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325424 JJ Annotated Reactive C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325425 JJ Annotated Reactive C[C@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325426 JJ Annotated Reactive C[C@@]1(c2cc3c(cc2NC(=O)CCl)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325427 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325715 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325718 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325719 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325720 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325721 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325723 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325724 JJ Annotated Reactive CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325725 JJ Annotated Reactive Cc1cc(Br)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2C ZINC000587325832 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2C ZINC000587325833 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2C ZINC000587325834 JJ Annotated Anodyne Cc1cc(Br)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2C ZINC000587325835 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC000587325906 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587325907 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587325908 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC000587325909 JJ Annotated Reactive O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325934 JJ Annotated Reactive O=C(CCl)NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325935 JJ Annotated Reactive O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325936 JJ Annotated Reactive O=C(CCl)NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325937 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326049 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326051 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326055 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(N3CCOC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326056 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(OC(F)(F)F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587326098 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(OC(F)(F)F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326100 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(OC(F)(F)F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587326101 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(OC(F)(F)F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326102 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326181 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326183 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326185 JJ Annotated Anodyne O=C(O)C1=COc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326188 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326202 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326205 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326207 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326208 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587326406 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326407 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587326408 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326409 JJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(C(F)(F)F)c21 ZINC000587326827 JJ Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(C(F)(F)F)c21 ZINC000587326830 JJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(C(F)(F)F)c21 ZINC000587326831 JJ Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(C(F)(F)F)c21 ZINC000587326833 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326861 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326868 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326871 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326873 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326892 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326896 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326899 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326901 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1S(=O)(=O)C(F)F ZINC000587327071 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1S(=O)(=O)C(F)F ZINC000587327074 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1S(=O)(=O)C(F)F ZINC000587327077 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1S(=O)(=O)C(F)F ZINC000587327078 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327103 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327104 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327105 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327106 JJ Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327220 JJ Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327222 JJ Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327223 JJ Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327225 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587327254 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587327255 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587327256 JJ Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587327257 JJ Annotated Anodyne Cc1cccc(-n2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nn2)c1 ZINC000587327322 JJ Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nn2)c1 ZINC000587327323 JJ Annotated Reactive Cc1cccc(-n2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nn2)c1 ZINC000587327324 JJ Annotated Reactive Cc1cccc(-n2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nn2)c1 ZINC000587327325 JJ Annotated Reactive O=CN1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587327602 JJ Annotated Reactive O=CN1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587327604 JJ Annotated Reactive O=CN1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587327605 JJ Annotated Reactive O=CN1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587327607 JJ Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587327687 JJ Annotated Reactive CC(=O)Nc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587327688 JJ Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587327691 JJ Annotated Reactive CC(=O)Nc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587327693 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(OC(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587327810 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(OC(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587327811 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(OC(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587327814 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(OC(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587327817 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327823 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327832 JJ Annotated Anodyne O=C(C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)NC1CC1 ZINC000587327834 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327835 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327837 JJ Annotated Anodyne O=C(C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)NC1CC1 ZINC000587327844 JJ Annotated Anodyne O=C(C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)NC1CC1 ZINC000587327847 JJ Annotated Anodyne O=C(C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)NC1CC1 ZINC000587327849 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327916 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327917 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327918 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327919 JJ Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1C ZINC000587328494 JJ Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1C ZINC000587328495 JJ Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1C ZINC000587328497 JJ Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1C ZINC000587328500 JJ Annotated Anodyne CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587328742 JJ Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587328743 JJ Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587328744 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587328745 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328827 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328829 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328830 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328832 JJ Annotated Reactive O=C(CCCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328834 JJ Annotated Reactive O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328836 JJ Annotated Reactive O=C(CCCl)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328838 JJ Annotated Reactive O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328840 JJ Annotated Reactive O=C(O)c1cc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329167 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329179 JJ Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329188 JJ Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329190 JJ Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587329192 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329194 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329197 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329199 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587329216 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587329219 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587329222 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587329224 JJ Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587329467 JJ Annotated Reactive O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587329468 JJ Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587329469 JJ Annotated Reactive O=C1CCc2cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587329471 JJ Annotated Reactive CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587329612 JJ Annotated Anodyne CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587329617 JJ Annotated Anodyne COc1cc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587329661 JJ Annotated Bother COc1cc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587329685 JJ Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587329755 JJ Annotated Bother COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587329758 JJ Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587329759 JJ Annotated Bother COc1cc([N+](=O)[O-])c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587329760 JJ Annotated Bother CCOC(=O)C[C@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329810 JJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329817 JJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329820 JJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329821 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329828 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329830 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329833 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329836 JJ Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587329858 JJ Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587329863 JJ Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587329866 JJ Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587329870 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329909 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329921 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329924 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329930 JJ Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329946 JJ Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329947 JJ Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329948 JJ Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329949 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3nccc(C(F)(F)F)n3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587330183 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3nccc(C(F)(F)F)n3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587330186 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)[C@@H]1c1ccc(F)cc1 ZINC000587330257 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)[C@@H]1c1ccc(F)cc1 ZINC000587330259 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)[C@H]1c1ccc(F)cc1 ZINC000587330260 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)[C@H]1c1ccc(F)cc1 ZINC000587330267 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330369 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587330372 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330374 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587330377 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587330379 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587330383 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587330386 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587330388 JJ Annotated Anodyne C[C@]1(c2c(F)cccc2N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330881 JJ Annotated Anodyne C[C@@]1(c2c(F)cccc2N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330886 JJ Annotated Anodyne C[C@]1(c2c(F)cccc2N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330889 JJ Annotated Anodyne C[C@@]1(c2c(F)cccc2N2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330890 JJ Annotated Anodyne Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587330923 JJ Annotated Anodyne Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587330925 JJ Annotated Anodyne Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587330927 JJ Annotated Anodyne Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587330929 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330962 JJ Annotated Bother C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330964 JJ Annotated Bother C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330968 JJ Annotated Bother C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330970 JJ Annotated Bother Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331022 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331023 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331024 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331025 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331143 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331145 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331147 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331150 JJ Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331298 JJ Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331307 JJ Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331311 JJ Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331316 JJ Annotated Unstable COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331372 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331376 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331379 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331383 JJ Annotated Anodyne CN1CCO[C@H]([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587331384 JJ Annotated Anodyne CN1CCO[C@H]([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587331387 JJ Annotated Anodyne CN1CCO[C@H]([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587331390 JJ Annotated Anodyne CN1CCO[C@H]([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587331395 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(F)(F)C1 ZINC000587331449 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(F)(F)C1 ZINC000587331454 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(F)(F)C1 ZINC000587331456 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(F)(F)C1 ZINC000587331457 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)ccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587331535 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)ccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587331536 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)ccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587331537 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)ccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587331538 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331591 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331592 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331595 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331598 JJ Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331635 JJ Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331636 JJ Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331638 JJ Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331640 JJ Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331642 JJ Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331644 JJ Annotated Anodyne C[C@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331672 JJ Annotated Anodyne C[C@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331679 JJ Annotated Anodyne C[C@@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331683 JJ Annotated Anodyne C[C@@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331685 JJ Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331687 JJ Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331694 JJ Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331696 JJ Annotated Anodyne COc1ccc(OC)c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331699 JJ Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587331728 JJ Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587331732 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331733 JJ Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587331735 JJ Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587331737 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331740 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331741 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331742 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(OC(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331944 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331948 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(OC(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331951 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331952 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@@H]1c1ccc(F)cc1 ZINC000587332137 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@H]1c1ccc(F)cc1 ZINC000587332139 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@H]1c1ccc(F)cc1 ZINC000587332141 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3ccc(F)cc3)nn2)[C@@H]1c1ccc(F)cc1 ZINC000587332142 JJ Annotated Reactive CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332245 JJ Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332246 JJ Annotated Bother CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332248 JJ Annotated Bother CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332250 JJ Annotated Bother C[C@@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332276 JJ Annotated Anodyne C[C@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332280 JJ Annotated Anodyne C[C@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332281 JJ Annotated Anodyne C[C@@]1(c2cccc(NC(=O)CCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332282 JJ Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332317 JJ Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332324 JJ Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332328 JJ Annotated Anodyne Nc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332332 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332400 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332408 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332412 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332415 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332558 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332562 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332564 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332568 JJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332756 JJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332760 JJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332761 JJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332762 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587332770 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587332773 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587332776 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 ZINC000587332780 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587332823 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587332825 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587332827 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587332828 JJ Annotated Anodyne CCn1ncc(I)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333366 JJ Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333370 JJ Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333373 JJ Annotated Anodyne CCn1ncc(I)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333378 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333428 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333431 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333432 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333435 JJ Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333728 JJ Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333730 JJ Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333732 JJ Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333735 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587333804 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587333806 JJ Annotated Anodyne CC(=O)NCCc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587333862 JJ Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587333865 JJ Annotated Reactive CC(=O)NCCc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587333868 JJ Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587333872 JJ Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000587333981 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000587333987 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000587333989 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000587333991 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334106 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334108 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334110 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334112 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587334129 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587334132 JJ Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587334150 JJ Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587334152 JJ Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587334155 JJ Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587334161 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334289 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334290 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334292 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334295 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334334 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334338 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334342 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334345 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334386 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334389 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334395 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334404 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334423 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334433 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334437 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334440 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334443 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334448 JJ Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334460 JJ Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334469 JJ Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334470 JJ Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334473 JJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334583 JJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334587 JJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334588 JJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334592 JJ Annotated Anodyne O=C(O)c1ncccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335004 JJ Annotated Anodyne O=C(O)c1ncccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335011 JJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335013 JJ Annotated Anodyne O=C(O)c1ncccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335014 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335016 JJ Annotated Anodyne O=C(O)c1ncccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335017 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335019 JJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335030 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3cccnc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587335168 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3cccnc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335179 JJ Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335208 JJ Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335231 JJ Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335234 JJ Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335238 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335259 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335263 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335268 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335270 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335327 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335336 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335340 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335343 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335689 JJ Annotated Mild CC(C)(C)OC(=O)NC[C@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335699 JJ Annotated Mild CC(C)(C)OC(=O)NC[C@@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335701 JJ Annotated Mild CC(C)(C)OC(=O)NC[C@@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335704 JJ Annotated Mild C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335978 JJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335992 JJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335993 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335996 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335999 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336001 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336003 JJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336006 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336022 JJ Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336023 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336025 JJ Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336026 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336027 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336028 JJ Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336030 JJ Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336032 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CC2 ZINC000587336130 JJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CC2 ZINC000587336132 JJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CC2 ZINC000587336133 JJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CC2 ZINC000587336137 JJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587336171 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587336173 JJ Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336174 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587336175 JJ Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336176 JJ Annotated Anodyne CC[C@@]1(c2ccccc2OCC(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336177 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587336178 JJ Annotated Anodyne CC[C@]1(c2ccccc2OCC(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336179 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336285 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336294 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336300 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336302 JJ Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336320 JJ Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336326 JJ Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336328 JJ Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336333 JJ Annotated Anodyne NC1CCN(CC[C@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587336585 JJ Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@@]1(CC3(CCNCC3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336586 JJ Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@@]1(CC3(CCNCC3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336589 JJ Annotated Anodyne NC1CCN(CC[C@@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587336591 JJ Annotated Anodyne NC1CCN(CC[C@@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587336595 JJ Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@]1(CC3(CCNCC3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336597 JJ Annotated Anodyne NC1CCN(CC[C@]2(c3ccc(Cl)nc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587336599 JJ Annotated Anodyne CC(C)(C)n1cc2c(n1)[C@]1(CC3(CCNCC3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336602 JJ Annotated Anodyne Nc1ccc2c(c1N)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336610 JJ Annotated Anodyne Nc1ccc2c(c1N)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336614 JJ Annotated Anodyne Nc1ccc2c(c1N)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336617 JJ Annotated Anodyne Nc1ccc2c(c1N)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336623 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCC=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336659 JJ Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCC=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336662 JJ Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCC=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336668 JJ Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCC=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336670 JJ Annotated Mild Nc1c(C(=O)O)ccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336680 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336686 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336691 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587336696 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336747 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336749 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587336942 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587336946 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587336949 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587336952 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587336976 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587336978 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587336980 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CN1CCOCC1 ZINC000587336982 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337008 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337009 JJ Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587337045 JJ Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587337050 JJ Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587337051 JJ Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587337054 JJ Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337097 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337099 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337103 JJ Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337113 JJ Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337119 JJ Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337124 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337131 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337139 JJ Annotated Anodyne O=C(O)[C@@H](c1ccc(F)cc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337377 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587337380 JJ Annotated Anodyne O=C(O)[C@H](c1ccc(F)cc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337383 JJ Annotated Anodyne O=C(O)[C@H](c1ccc(F)cc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337386 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337450 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337454 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337459 JJ Annotated Anodyne Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337464 JJ Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337554 JJ Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337556 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@H]3C[C@H]2CN(C(=O)OCc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587337692 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2([C@H]3C[C@H]2CN(C(=O)OCc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587337695 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4cccnc4)ncc32)[C@H]1c1ccc(F)cc1 ZINC000587337860 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4cccnc4)ncc32)[C@H]1c1ccc(F)cc1 ZINC000587337887 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4cccnc4)ncc32)[C@@H]1c1ccc(F)cc1 ZINC000587337890 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4cccnc4)ncc32)[C@@H]1c1ccc(F)cc1 ZINC000587337896 JJ Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337942 JJ Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337944 JJ Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337959 JJ Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337963 JJ Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337966 JJ Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337967 JJ Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338129 JJ Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338132 JJ Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338134 JJ Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338138 JJ Annotated Anodyne N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338188 JJ Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338192 JJ Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338198 JJ Annotated Mild N#C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338201 JJ Annotated Mild COc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338252 JJ Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338253 JJ Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338254 JJ Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338256 JJ Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338593 JJ Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338595 JJ Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338596 JJ Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338598 JJ Annotated Mild Nc1ccc(O)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338771 JJ Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338775 JJ Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338778 JJ Annotated Anodyne Nc1ccc(O)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338781 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587339276 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587339277 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587339278 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587339279 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587339281 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587339282 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587339283 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587339284 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339416 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339424 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339429 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1cccc(N)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339433 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339753 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339756 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339759 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339761 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587340061 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587340066 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587340070 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587340074 JJ Annotated Anodyne C[C@]1(c2cc(I)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340207 JJ Annotated Anodyne C[C@@]1(c2cc(I)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340211 JJ Annotated Anodyne C[C@]1(c2cc(I)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340213 JJ Annotated Anodyne C[C@@]1(c2cc(I)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340215 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340232 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340236 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340240 JJ Annotated Anodyne Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340246 JJ Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340272 JJ Annotated Anodyne CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340278 JJ Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340283 JJ Annotated Anodyne CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340284 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587340423 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587340425 JJ Annotated Anodyne CCn1cc(I)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587340427 JJ Annotated Anodyne CCn1cc(I)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587340430 JJ Annotated Anodyne CCn1cc(I)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587340432 JJ Annotated Anodyne CCn1cc(I)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587340434 JJ Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340435 JJ Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340436 JJ Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340438 JJ Annotated Anodyne CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340441 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340586 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340594 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340598 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340601 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340636 JJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340639 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340641 JJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340646 JJ Annotated Anodyne Nc1ccc(O)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340684 JJ Annotated Anodyne Nc1ccc(O)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340692 JJ Annotated Anodyne Nc1ccc(O)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340698 JJ Annotated Anodyne Nc1ccc(O)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587340705 JJ Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340892 JJ Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340899 JJ Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340901 JJ Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340908 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341076 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341083 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341091 JJ Annotated Anodyne Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341098 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341155 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341157 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341161 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341164 JJ Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341236 JJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341240 JJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341243 JJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341244 JJ Annotated Mild COC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587341254 JJ Annotated Bother COC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587341256 JJ Annotated Bother COC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587341259 JJ Annotated Bother COC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587341261 JJ Annotated Bother Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341308 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341310 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341312 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341313 JJ Annotated Anodyne CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341445 JJ Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341448 JJ Annotated Bother CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341449 JJ Annotated Bother CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341454 JJ Annotated Bother CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341580 JJ Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341582 JJ Annotated Mild CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341634 JJ Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341638 JJ Annotated Bother CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341639 JJ Annotated Bother CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341641 JJ Annotated Bother COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000587341654 JJ Annotated Bother COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000587341656 JJ Annotated Bother COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000587341658 JJ Annotated Bother COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000587341660 JJ Annotated Bother CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341746 JJ Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341750 JJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341792 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341794 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341795 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341797 JJ Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341855 JJ Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341857 JJ Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341859 JJ Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341861 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587341931 JJ Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587341934 JJ Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587341936 JJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587341938 JJ Annotated Bother C[C@@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342542 JJ Annotated Anodyne C[C@@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342544 JJ Annotated Anodyne C[C@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342546 JJ Annotated Anodyne C[C@]1(CCCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342548 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342563 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342564 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342567 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342569 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342681 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342683 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342685 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342686 JJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342739 JJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342740 JJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342742 JJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342743 JJ Annotated Anodyne N#CC[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342746 JJ Annotated Mild N#CC[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342749 JJ Annotated Mild N#CC[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342752 JJ Annotated Mild N#CC[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342754 JJ Annotated Mild COc1c2c(c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c1OCO3)CCN(C)C2 ZINC000587342860 JJ Annotated Anodyne COc1c2c(c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c1OCO3)CCN(C)C2 ZINC000587342872 JJ Annotated Anodyne COc1c2c(c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c1OCO3)CCN(C)C2 ZINC000587342875 JJ Annotated Anodyne COc1c2c(c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c1OCO3)CCN(C)C2 ZINC000587342877 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(N3C(=O)c4ccccc4C3=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587342909 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(N3C(=O)c4ccccc4C3=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587342911 JJ Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587342939 JJ Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587342941 JJ Annotated Anodyne Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587342943 JJ Annotated Anodyne Cc1cc(C)n(C[C@]2(c3cccc(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587342944 JJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342981 JJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342982 JJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587342983 JJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587342984 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587343017 JJ Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587343018 JJ Annotated Bother O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587343019 JJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587343020 JJ Annotated Bother CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343192 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343196 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343197 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343199 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587343330 JJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587343331 JJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587343332 JJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587343333 JJ Annotated Mild O=C1c2ccc(O)cc2O[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587343488 JJ Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587343489 JJ Annotated Bother O=C1c2ccc(O)cc2O[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587343491 JJ Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587343492 JJ Annotated Bother Cn1cc(C(=O)Oc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587343494 JJ Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587343496 JJ Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587343498 JJ Annotated Anodyne Cn1cc(C(=O)Oc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587343499 JJ Annotated Anodyne C[C@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343523 JJ Annotated Mild C[C@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343524 JJ Annotated Mild C[C@@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343525 JJ Annotated Mild C[C@@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343527 JJ Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587343848 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587343849 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587343852 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587343855 JJ Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343905 JJ Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343906 JJ Annotated Anodyne CCc1ccc([C@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343907 JJ Annotated Anodyne CCc1ccc([C@@]2(CN3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343908 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344263 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344267 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344269 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344271 JJ Annotated Anodyne O=C(O)[C@@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344301 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN([C@@H](C(=O)O)c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587344302 JJ Annotated Anodyne O=C(O)[C@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344303 JJ Annotated Anodyne O=C(O)[C@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344304 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344345 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344346 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344472 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344475 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344478 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344481 JJ Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344508 JJ Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344510 JJ Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344512 JJ Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344514 JJ Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1=O ZINC000587344528 JJ Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1=O ZINC000587344529 JJ Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1=O ZINC000587344532 JJ Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1=O ZINC000587344539 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344772 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344773 JJ Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344783 JJ Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344784 JJ Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344785 JJ Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344786 JJ Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344935 JJ Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344937 JJ Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344939 JJ Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344944 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344949 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344953 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344955 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344958 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345016 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345019 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345023 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345024 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345080 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345083 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345087 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345089 JJ Annotated Anodyne Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587345258 JJ Annotated Bother Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587345259 JJ Annotated Bother Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587345260 JJ Annotated Bother Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587345261 JJ Annotated Bother CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345325 JJ Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345328 JJ Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345329 JJ Annotated Anodyne CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345331 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345348 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345353 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345357 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345358 JJ Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345553 JJ Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345568 JJ Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345569 JJ Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345573 JJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587345632 JJ Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587345633 JJ Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587345634 JJ Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587345635 JJ Annotated Mild COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345660 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345661 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345662 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345663 JJ Annotated Anodyne C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345707 JJ Annotated Anodyne C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345712 JJ Annotated Anodyne C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345714 JJ Annotated Anodyne C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345716 JJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345981 JJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345983 JJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345987 JJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345990 JJ Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345991 JJ Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345994 JJ Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345995 JJ Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345998 JJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346094 JJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346098 JJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346100 JJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346101 JJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(CCC(=O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587346209 JJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCC(=O)O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587346210 JJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCC(=O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587346211 JJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(CCC(=O)O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587346212 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346421 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346424 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346426 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346428 JJ Annotated Anodyne CN(C)/C=C1\CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346713 JJ Annotated Anodyne CN(C)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346719 JJ Annotated Anodyne CN(C)/C=C1\CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346722 JJ Annotated Anodyne CN(C)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346725 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc(O)c2O ZINC000587346879 JJ Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc(O)c2O ZINC000587346883 JJ Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc(O)c2O ZINC000587346886 JJ Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc(O)c2O ZINC000587346889 JJ Annotated Clean CCOC(=O)COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347036 JJ Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347037 JJ Annotated Anodyne CCOC(=O)COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347038 JJ Annotated Anodyne CCOC(=O)COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347039 JJ Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347105 JJ Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347106 JJ Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347107 JJ Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347108 JJ Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347293 JJ Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347296 JJ Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347297 JJ Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347300 JJ Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347439 JJ Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347442 JJ Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347443 JJ Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347445 JJ Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587347556 JJ Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587347558 JJ Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587347561 JJ Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587347562 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347708 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347713 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347715 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347717 JJ Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347749 JJ Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347751 JJ Annotated Anodyne CCOC(=O)COc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347754 JJ Annotated Anodyne CCOC(=O)COc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347757 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347805 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347808 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347810 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347812 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(O)cc2O)(c2ccc(O)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587347829 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(O)cc2O)(c2ccc(O)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587347832 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348133 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348145 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348148 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348152 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348155 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348158 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348159 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348161 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348166 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348177 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348182 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348185 JJ Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348222 JJ Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348223 JJ Annotated Anodyne COc1ccc([C@]2(Cc3ccncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348225 JJ Annotated Anodyne COc1ccc([C@@]2(Cc3ccncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348228 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348285 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348288 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348289 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348290 JJ Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348482 JJ Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348483 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348885 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348891 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348899 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348908 JJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587349051 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587349052 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587349053 JJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587349056 JJ Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349057 JJ Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349059 JJ Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349061 JJ Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349063 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)ccc(O)c21 ZINC000587349183 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)ccc(O)c21 ZINC000587349185 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)ccc(O)c21 ZINC000587349187 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)ccc(O)c21 ZINC000587349189 JJ Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349327 JJ Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349332 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349347 JJ Annotated Anodyne COc1ccc([C@]2(C[C@@H](C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349348 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349351 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349353 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349355 JJ Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349376 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349439 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349448 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349454 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349462 JJ Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349467 JJ Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349473 JJ Annotated Anodyne COc1ccc(OC)c([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587349482 JJ Annotated Anodyne COc1ccc(OC)c([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587349485 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349502 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349511 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349518 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349529 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000587349754 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587349772 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000587349778 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587349785 JJ Annotated Clean COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCC(=O)O ZINC000587349795 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCC(=O)O ZINC000587349799 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCCC(=O)O ZINC000587349803 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCCC(=O)O ZINC000587349804 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OC=C2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587349838 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OC=C2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587349840 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OC=C2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587349841 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OC=C2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587349842 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]1c1ccc(F)cc1 ZINC000587349859 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]1c1ccc(F)cc1 ZINC000587349860 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]1c1ccc(F)cc1 ZINC000587349861 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]1c1ccc(F)cc1 ZINC000587349862 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349950 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349955 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349962 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349969 JJ Annotated Anodyne COCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587350051 JJ Annotated Anodyne COCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587350058 JJ Annotated Anodyne COCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587350061 JJ Annotated Anodyne COCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587350070 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350097 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350102 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350107 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350111 JJ Annotated Anodyne CCOc1ccc([C@]2(C=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587350119 JJ Annotated Mild CCOc1ccc([C@@]2(C=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587350124 JJ Annotated Mild CCOc1ccc([C@@]2(C=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587350126 JJ Annotated Mild CCOc1ccc([C@]2(C=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587350132 JJ Annotated Mild COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350482 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350486 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350490 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350492 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350562 JJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350563 JJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350564 JJ Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350565 JJ Annotated Mild CCOC(=O)C[C@@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350744 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350750 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350753 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350755 JJ Annotated Anodyne CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587351057 JJ Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587351062 JJ Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587351066 JJ Annotated Mild CCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587351069 JJ Annotated Mild Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351139 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351144 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351145 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351146 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587351170 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587351171 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587351172 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587351173 JJ Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587351252 JJ Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587351253 JJ Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587351254 JJ Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587351255 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587351450 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587351461 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587351467 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587351473 JJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351518 JJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351525 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351527 JJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351529 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351530 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351532 JJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351534 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OCC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351535 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351536 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351541 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351544 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351549 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccccc3)Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587351565 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccccc3)Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587351569 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587351573 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccccc3)Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587351580 JJ Annotated Anodyne COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587351605 JJ Annotated Anodyne COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587351608 JJ Annotated Anodyne COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587351609 JJ Annotated Anodyne COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587351611 JJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587351837 JJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587351845 JJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587351847 JJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587351850 JJ Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351910 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351914 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351919 JJ Annotated Anodyne CCOC(=O)C[C@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351923 JJ Annotated Anodyne C[C@@]1(CCc2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352031 JJ Annotated Anodyne C[C@]1(CCc2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352036 JJ Annotated Anodyne C[C@]1(CCc2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352041 JJ Annotated Anodyne C[C@@]1(CCc2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352045 JJ Annotated Anodyne O=CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587352231 JJ Annotated Reactive O=CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587352232 JJ Annotated Reactive O=CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587352234 JJ Annotated Reactive O=CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587352236 JJ Annotated Reactive CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352280 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352281 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352282 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352283 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352437 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352438 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352440 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352442 JJ Annotated Anodyne O=C1c2cccc(O)c2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)cccc21 ZINC000587352643 JJ Annotated Anodyne O=C1c2cccc(O)c2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)cccc21 ZINC000587352644 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352854 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352855 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352856 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352857 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352966 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352970 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352973 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352977 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 ZINC000587353173 JJ Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 ZINC000587353175 JJ Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 ZINC000587353178 JJ Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 ZINC000587353181 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587353326 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587353329 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587353331 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587353333 JJ Annotated Clean CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353396 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353399 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353401 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353403 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353493 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353494 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353496 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353498 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354001 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354002 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354004 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354005 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354060 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354063 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354065 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354066 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587354751 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587354753 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587354755 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587354756 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)(c3ccc4c(c3)OCO4)CC2)[C@H]1c1ccc(F)cc1 ZINC000587354896 JJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)(c3ccc4c(c3)OCO4)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587354901 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587354927 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587354931 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587354933 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587354936 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354949 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354951 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354957 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354963 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355002 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355005 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)OCCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355009 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)OCCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355012 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587355324 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587355326 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587355329 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587355332 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355534 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355537 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355540 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355543 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355655 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355658 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355660 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355662 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC[C@@H]1CO1 ZINC000587356128 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC[C@H]1CO1 ZINC000587356129 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC[C@H]1CO1 ZINC000587356130 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC[C@@H]1CO1 ZINC000587356131 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(O)cc(O)c1C2=O ZINC000587356451 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(O)cc(O)c1C2=O ZINC000587356455 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(O)cc(O)c1C2=O ZINC000587356458 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(O)cc(O)c1C2=O ZINC000587356464 JJ Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587356548 JJ Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587356549 JJ Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587356550 JJ Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587356551 JJ Annotated Anodyne O=C(O)CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356614 JJ Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356615 JJ Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356616 JJ Annotated Anodyne O=C(O)CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356617 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CO)ccc21 ZINC000587357087 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CO)ccc21 ZINC000587357090 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CO)ccc21 ZINC000587357092 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CO)ccc21 ZINC000587357094 JJ Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587357127 JJ Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587357129 JJ Annotated Anodyne O=C1c2cccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587357131 JJ Annotated Anodyne O=C1c2cccc(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587357134 JJ Annotated Anodyne O=C1c2cc(O)ccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587357525 JJ Annotated Anodyne O=C1c2cc(O)ccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587357527 JJ Annotated Anodyne O=C1c2cc(O)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587357530 JJ Annotated Anodyne O=C1c2cc(O)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc21 ZINC000587357535 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000587357599 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587357600 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000587357601 JJ Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587357602 JJ Annotated Clean O=C1c2c(O)cccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587357607 JJ Annotated Anodyne O=C1c2c(O)cccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(O)c21 ZINC000587357608 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587357963 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587357968 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587357971 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587357972 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CO)cc21 ZINC000587357975 JJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CO)cc21 ZINC000587357979 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CO)cc21 ZINC000587357982 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CO)cc21 ZINC000587357985 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587358895 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587358917 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587358923 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCc2ccccc2)=CO1 ZINC000587358927 JJ Annotated Anodyne C[C@@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360138 JJ Annotated Anodyne C[C@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360140 JJ Annotated Anodyne C[C@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360141 JJ Annotated Anodyne C[C@@]1(CCC(=O)c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360143 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587360235 JJ Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587360243 JJ Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587360245 JJ Annotated Unstable O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587360248 JJ Annotated Unstable CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCC ZINC000587360347 JJ Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCC ZINC000587360354 JJ Annotated Anodyne CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360537 JJ Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360538 JJ Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360623 JJ Annotated Anodyne CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360624 JJ Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360902 JJ Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360903 JJ Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360904 JJ Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360905 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587361548 JJ Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587361550 JJ Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587361551 JJ Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587361553 JJ Annotated Reactive CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361610 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361611 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361612 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361613 JJ Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587361771 JJ Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587361772 JJ Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587361773 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361774 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362041 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362043 JJ Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1)[N+](=O)[O-] ZINC000587362214 JJ Annotated Mild CCOC(=O)[C@H]([C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1)[N+](=O)[O-] ZINC000587362215 JJ Annotated Mild CCOC(=O)[C@@H]([C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1)[N+](=O)[O-] ZINC000587362216 JJ Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1)[N+](=O)[O-] ZINC000587362218 JJ Annotated Mild CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362563 JJ Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362566 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@H]2CN1 ZINC000587363660 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]2CN1 ZINC000587363663 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]2CN1 ZINC000587363665 JJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@H]2CN1 ZINC000587363667 JJ Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363739 JJ Annotated Anodyne COc1cccc(-c2cc(Cn3c(=O)oc(=O)c4ccccc43)nc3c2oc2ccccc23)c1 ZINC000587363812 JJ Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)C[C@H]2C[C@H]1C(=O)O ZINC000587364305 JJ Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)C[C@@H]2C[C@@H]1C(=O)O ZINC000587364309 JJ Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)C[C@@H]2C[C@H]1C(=O)O ZINC000587364310 JJ Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)C[C@H]2C[C@@H]1C(=O)O ZINC000587364312 JJ Annotated Anodyne CCOC(=O)C1=C[C@@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)C(=O)N(C)C1=N ZINC000587364626 JJ Annotated Anodyne CCOC(=O)C1=C[C@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)C(=O)N(C)C1=N ZINC000587364629 JJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(S(C)(=O)=O)c(O)nc2CC3)c1 ZINC000587364766 JJ Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(OC)c(S(N)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364786 JJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](N2CCS(=O)(=O)CC2)CCC3)c1 ZINC000587364872 JJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](N2CCS(=O)(=O)CC2)CCC3)c1 ZINC000587364875 JJ Annotated Anodyne CCOC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@H]1CCS(=O)(=O)C1 ZINC000587366480 JJ Annotated Anodyne CCOC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000587366485 JJ Annotated Anodyne CCOC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@H]1CCS(=O)(=O)C1 ZINC000587366488 JJ Annotated Anodyne CCOC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000587366490 JJ Annotated Anodyne COc1cccc(-c2cc([C@H](OOC(C(C)=O)C(C)=O)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587366701 JJ Annotated Reactive COc1cccc(-c2cc([C@@H](OOC(C(C)=O)C(C)=O)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587366704 JJ Annotated Reactive Oc1nc(O)c2ccc(-c3c(O)nc4ccc(Br)cc4c3-c3ccccc3)nc2n1 ZINC000587366816 JJ Annotated Anodyne CC(C)(C)OC(=O)n1c(-c2ccc3c(O)nc(O)nc3n2)c(Br)c2ccccc21 ZINC000587367129 JJ Annotated Anodyne Oc1ccc2c(-c3ccc4c(O)nc(O)nc4n3)ccc(OCc3ccccc3C(F)(F)F)c2n1 ZINC000587367946 JJ Annotated Anodyne COc1ccc(Br)c(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)c1 ZINC000587368791 JJ Annotated Anodyne Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369175 JJ Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369176 JJ Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369177 JJ Annotated Mild Cc1nc(SCC(=O)O)c(C#N)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369178 JJ Annotated Mild CCCCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369227 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369228 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369229 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369230 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369365 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369366 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369367 JJ Annotated Anodyne CCS(=O)(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369368 JJ Annotated Anodyne C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369459 JJ Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369460 JJ Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369461 JJ Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369462 JJ Annotated Reactive CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369644 JJ Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369645 JJ Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369646 JJ Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369647 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369648 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369649 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369650 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369651 JJ Annotated Anodyne C[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369678 JJ Annotated Anodyne C[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369679 JJ Annotated Anodyne C[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369680 JJ Annotated Anodyne C[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369681 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1SCC(=O)O ZINC000587369726 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1SCC(=O)O ZINC000587369727 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1SCC(=O)O ZINC000587369728 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1SCC(=O)O ZINC000587369729 JJ Annotated Anodyne C[C@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369759 JJ Annotated Anodyne C[C@@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369760 JJ Annotated Anodyne C[C@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369761 JJ Annotated Anodyne C[C@@]1(c2cc(S(N)(=O)=O)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369762 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369823 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369824 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369825 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369826 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369874 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369875 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369876 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369877 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2cc(Br)ccc21 ZINC000587369986 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2cc(Br)ccc21 ZINC000587369989 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1cccc(Br)c1)O2 ZINC000587370015 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1cccc(Br)c1)O2 ZINC000587370017 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccc1C(=O)O)O2 ZINC000587370038 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccc1C(=O)O)O2 ZINC000587370040 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(N(C)C)n(-c3ccc(Br)cc3)c1Cl)O2 ZINC000587370050 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(N(C)C)n(-c3ccc(Br)cc3)c1Cl)O2 ZINC000587370051 JJ Annotated Anodyne CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370205 JJ Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370208 JJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1ccc(Br)cc1)O2 ZINC000587370279 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1ccc(Br)cc1)O2 ZINC000587370280 JJ Annotated Mild N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370513 JJ Annotated Reactive N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370515 JJ Annotated Reactive N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370516 JJ Annotated Reactive N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370517 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Br)c(Br)c4c(c31)CCO4)O2 ZINC000587370582 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)c(Br)c4c(c31)CCO4)O2 ZINC000587370583 JJ Annotated Anodyne CN(C)C(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587370764 JJ Annotated Reactive CN(C)C(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587370771 JJ Annotated Reactive CN(C)C(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587370772 JJ Annotated Reactive CN(C)C(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587370773 JJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587370801 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587370802 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587370804 JJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587370806 JJ Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587371088 JJ Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)O ZINC000587371206 JJ Annotated Anodyne CC(=O)Nc1sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)O ZINC000587371209 JJ Annotated Anodyne CC(=O)Nc1sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)O ZINC000587371212 JJ Annotated Anodyne CC(=O)Nc1sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)O ZINC000587371214 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000587371278 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000587371282 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2Oc2cc(O)cc(O)c21 ZINC000587371325 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2Oc2cc(O)cc(O)c21 ZINC000587371330 JJ Annotated Anodyne COc1cc(Br)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587371424 JJ Annotated Reactive COc1cc(Br)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587371425 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 ZINC000587371478 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 ZINC000587371481 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Br)cc(Br)cc31)O2 ZINC000587371568 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Br)cc(Br)cc31)O2 ZINC000587371571 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(Br)cn1)(c1ccc(Br)cn1)O2 ZINC000587371720 JJ Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371746 JJ Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371754 JJ Annotated Anodyne CNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371756 JJ Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371758 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 ZINC000587371975 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@@H](C)Cl)cccc21 ZINC000587371976 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 ZINC000587371977 JJ Annotated Reactive COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587371986 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(NC(=O)[C@H](C)Cl)cccc21 ZINC000587372001 JJ Annotated Reactive CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372022 JJ Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372026 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 ZINC000587372049 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc21 ZINC000587372052 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 ZINC000587372057 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(NC(=O)[C@H](C)Cl)cc21 ZINC000587372062 JJ Annotated Reactive CNc1ccc(Br)c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O ZINC000587372131 JJ Annotated Anodyne CNc1ccc(Br)c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O ZINC000587372135 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 ZINC000587372377 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@@H](C)Cl)c21 ZINC000587372378 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 ZINC000587372379 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(NC(=O)[C@H](C)Cl)c21 ZINC000587372380 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)O2 ZINC000587372387 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2 ZINC000587372388 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2 ZINC000587372389 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)([C@H](Cl)C(=O)Nc1ccccc1)O2 ZINC000587372390 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)O2 ZINC000587372413 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)O2 ZINC000587372415 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2 ZINC000587372535 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2 ZINC000587372538 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2 ZINC000587372539 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2 ZINC000587372540 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)O2 ZINC000587372547 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)O2 ZINC000587372553 JJ Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587372598 JJ Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587372602 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)OC(C)(C)C)(c1ccc(Br)cc1)O2 ZINC000587372747 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)OC(C)(C)C)(c1ccc(Br)cc1)O2 ZINC000587372754 JJ Annotated Anodyne COC(=O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587372810 JJ Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587372813 JJ Annotated Reactive COC(=O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587372815 JJ Annotated Reactive COC(=O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587372816 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 ZINC000587372912 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc21 ZINC000587372915 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 ZINC000587372917 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)ccc21 ZINC000587372919 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 ZINC000587372934 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 ZINC000587372935 JJ Annotated Bother CC(=O)N1CCc2sc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C1 ZINC000587373111 JJ Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2C1 ZINC000587373114 JJ Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C1 ZINC000587373116 JJ Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2C1 ZINC000587373119 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 ZINC000587373132 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 ZINC000587373133 JJ Annotated Reactive COC(=O)c1sccc1O[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373171 JJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373173 JJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373174 JJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373175 JJ Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373230 JJ Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373231 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373232 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373233 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)c(C)cc(Br)c21 ZINC000587373267 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)c(C)cc(Br)c21 ZINC000587373271 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OC(=O)c1nn(C)cc1Br)O2 ZINC000587373373 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OC(=O)c1nn(C)cc1Br)O2 ZINC000587373377 JJ Annotated Anodyne COc1ccc(Br)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373669 JJ Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373671 JJ Annotated Reactive C[C@]1(c2cc(CN3CCOCC3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373822 JJ Annotated Anodyne C[C@@]1(c2cc(CN3CCOCC3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373827 JJ Annotated Anodyne C[C@]1(c2cc(CN3CCOCC3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373829 JJ Annotated Anodyne C[C@@]1(c2cc(CN3CCOCC3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373833 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3CCCC3)c3ccc(Br)cc13)O2 ZINC000587373861 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)N3CCCC3)c3ccc(Br)cc13)O2 ZINC000587373863 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)O2 ZINC000587374238 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(Cc3ccc4c(c3)OCO4)c1C)O2 ZINC000587374241 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 ZINC000587374293 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 ZINC000587374296 JJ Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587374298 JJ Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587374299 JJ Annotated Reactive Cc1ccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc(Br)c2=O)cc1 ZINC000587374320 JJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc(Br)c2=O)cc1 ZINC000587374321 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(Br)cc(C)c(N)c21 ZINC000587374419 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(Br)cc(C)c(N)c21 ZINC000587374421 JJ Annotated Anodyne COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587374442 JJ Annotated Reactive COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587374463 JJ Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587374467 JJ Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587374468 JJ Annotated Reactive CCOC(=O)c1c(N)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587374479 JJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587374484 JJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587374486 JJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587374490 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccc(Br)cc2)c2ccccc21 ZINC000587374494 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccc(Br)cc2)c2ccccc21 ZINC000587374498 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(Br)cc(Br)cc3c1=O)O2 ZINC000587374508 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(Br)cc(Br)cc3c1=O)O2 ZINC000587374518 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cncc(Br)c1C)([C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587374543 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cncc(Br)c1C)([C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587374547 JJ Annotated Anodyne N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374743 JJ Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374747 JJ Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374750 JJ Annotated Mild N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374752 JJ Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375336 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375340 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375342 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375343 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375403 JJ Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375404 JJ Annotated Bother CCOC(=O)c1c(N)sc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375421 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375422 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375423 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375424 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc([N+](=O)[O-])cc1Br)O2 ZINC000587375441 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc([N+](=O)[O-])cc1Br)O2 ZINC000587375442 JJ Annotated Reactive CCOc1cc(Br)c(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587375535 JJ Annotated Anodyne CCOc1cc(Br)c(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587375538 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCCC1OCCO1)O2 ZINC000587375699 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCCC1OCCO1)O2 ZINC000587375701 JJ Annotated Anodyne COc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1Br ZINC000587375718 JJ Annotated Anodyne COc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1Br ZINC000587375720 JJ Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375736 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375741 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375742 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375743 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CBr)[C@@]3(C)CBr)O2 ZINC000587375854 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CBr)[C@@]3(C)CBr)O2 ZINC000587375856 JJ Annotated Reactive COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c(Br)c1C ZINC000587376009 JJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c(Br)c1C ZINC000587376010 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587376190 JJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587376196 JJ Annotated Anodyne COc1c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587376370 JJ Annotated Reactive COc1c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587376371 JJ Annotated Reactive COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376437 JJ Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376438 JJ Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376652 JJ Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376657 JJ Annotated Anodyne CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587376686 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587376696 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587376698 JJ Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587376700 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr ZINC000587376828 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr ZINC000587376832 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@]2(C)CBr ZINC000587376836 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)[C@@]2(C)CBr ZINC000587376840 JJ Annotated Reactive COc1cc(Br)c(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587377215 JJ Annotated Anodyne COc1cc(Br)c(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587377218 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377262 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377268 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377271 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377275 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1ccccc1Br)O2 ZINC000587377291 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1ccccc1Br)O2 ZINC000587377293 JJ Annotated Mild CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377349 JJ Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377350 JJ Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587377463 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587377465 JJ Annotated Anodyne Cn1c(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc1=S ZINC000587378090 JJ Annotated Anodyne Cn1c(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc1=S ZINC000587378091 JJ Annotated Anodyne Cn1c(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc1=S ZINC000587378092 JJ Annotated Anodyne Cn1c(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc1=S ZINC000587378093 JJ Annotated Anodyne O=Cc1sc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)nc1Cl ZINC000587378476 JJ Annotated Anodyne O=Cc1sc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)nc1Cl ZINC000587378477 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCC1OCCCO1)O2 ZINC000587378578 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCC1OCCCO1)O2 ZINC000587378580 JJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378712 JJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378719 JJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378720 JJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378722 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378959 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378960 JJ Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378975 JJ Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378976 JJ Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379128 JJ Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379130 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)CC(=O)Nc1ccc(Cl)cc1)(c1ccccc1)O2 ZINC000587379139 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)CC(=O)Nc1ccc(Cl)cc1)(c1ccccc1)O2 ZINC000587379140 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379261 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2sc(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379263 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379266 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2sc(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379268 JJ Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)S(=O)(=O)C1 ZINC000587379522 JJ Annotated Anodyne C[C@@H]1CN(c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)S(=O)(=O)C1 ZINC000587379525 JJ Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)S(=O)(=O)C1 ZINC000587379528 JJ Annotated Anodyne C[C@@H]1CN(c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)S(=O)(=O)C1 ZINC000587379530 JJ Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379650 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379651 JJ Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379652 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379653 JJ Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587379792 JJ Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587379794 JJ Annotated Anodyne COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000587379886 JJ Annotated Anodyne COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000587379887 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587380085 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587380086 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)O2 ZINC000587380337 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C(Br)Br)(C(F)(F)C(F)(F)F)O2 ZINC000587380338 JJ Annotated Reactive CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381747 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381748 JJ Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587382568 JJ Annotated Mild COC(=O)c1ccccc1Sc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)nn1C ZINC000587382569 JJ Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587382572 JJ Annotated Mild COC(=O)c1ccccc1Sc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)nn1C ZINC000587382577 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587382605 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587382614 JJ Annotated Anodyne CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587382618 JJ Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587382626 JJ Annotated Mild COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587382909 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587382916 JJ Annotated Anodyne COc1cc(-c2nn(CCC#N)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383351 JJ Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383352 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1sc(Nc3cccc(F)c3)nc1N)O2 ZINC000587383467 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1sc(Nc3cccc(F)c3)nc1N)O2 ZINC000587383470 JJ Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587383684 JJ Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587383687 JJ Annotated Mild COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587384320 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587384321 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1cc(F)ccc1O)O2 ZINC000587384437 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1cc(F)ccc1O)O2 ZINC000587384438 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]31 ZINC000587385207 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@H]13 ZINC000587385218 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]31 ZINC000587385220 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@H]13 ZINC000587385223 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(I)c1)O2 ZINC000587385261 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(I)c1)O2 ZINC000587385262 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)ccc1Br)O2 ZINC000587385288 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)ccc1Br)O2 ZINC000587385289 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OC(C)C ZINC000587385481 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OC(C)C ZINC000587385486 JJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587385811 JJ Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587385818 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(I)c1)O2 ZINC000587385880 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(I)c1)O2 ZINC000587385884 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)cc1Br)O2 ZINC000587386239 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)cc1Br)O2 ZINC000587386250 JJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587386486 JJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587386487 JJ Annotated Anodyne CCCOc1c(I)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587386612 JJ Annotated Anodyne CCCOc1c(I)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587386616 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(I)=COc2ccc(Cl)cc21 ZINC000587386758 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(I)=COc2ccc(Cl)cc21 ZINC000587386762 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3ncc(I)c-3c(Cl)c1F)O2 ZINC000587386996 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3ncc(I)c-3c(Cl)c1F)O2 ZINC000587386998 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)c(Br)cc1F)O2 ZINC000587387044 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)c(Br)cc1F)O2 ZINC000587387047 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc31)O2 ZINC000587387178 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc31)O2 ZINC000587387182 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(I)cc3)nc3ncccn13)O2 ZINC000587387433 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(I)cc3)nc3ncccn13)O2 ZINC000587387434 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1I)O2 ZINC000587387527 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1I)O2 ZINC000587387528 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(I)=COc2ccc(Br)cc21 ZINC000587387599 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(I)=COc2ccc(Br)cc21 ZINC000587387605 JJ Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587387677 JJ Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587387678 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1I)O2 ZINC000587387721 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1I)O2 ZINC000587387722 JJ Annotated Anodyne COc1c(I)cc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388050 JJ Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388051 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1)O2 ZINC000587388569 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1)O2 ZINC000587388570 JJ Annotated Mild Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388932 JJ Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388938 JJ Annotated Bother CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389000 JJ Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389001 JJ Annotated Anodyne COc1cc(C(=O)Oc2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587389550 JJ Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587389555 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(CN3C(=O)c4ccccc4C3=O)c1)(c1ccccn1)O2 ZINC000587389645 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(CN3C(=O)c4ccccc4C3=O)c1)(c1ccccn1)O2 ZINC000587389649 JJ Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C(=O)OC(C)(C)C ZINC000587389762 JJ Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C(=O)OC(C)(C)C ZINC000587389765 JJ Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587389775 JJ Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587389790 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)O2 ZINC000587389882 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)O2 ZINC000587389892 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)O2 ZINC000587389909 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)O2 ZINC000587389910 JJ Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O ZINC000587389945 JJ Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O ZINC000587389947 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c(OC)c1 ZINC000587389971 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c(OC)c1 ZINC000587389976 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c1)O2 ZINC000587390556 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c1)O2 ZINC000587390557 JJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)N1CCCc3ccccc31)(c1cn(C)c3ccccc13)O2 ZINC000587390683 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)N1CCCc3ccccc31)(c1cn(C)c3ccccc13)O2 ZINC000587390684 JJ Annotated Anodyne COC(=O)c1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2Cc1cccc(C#N)c1 ZINC000587391073 JJ Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2Cc1cccc(C#N)c1 ZINC000587391078 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1nc3ccccc3n1Cc1ccon1)O2 ZINC000587392224 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1nc3ccccc3n1Cc1ccon1)O2 ZINC000587392226 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cccc(CN3C(=O)c4ccccc4C3=O)c1)O2 ZINC000587392625 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1cccc(CN3C(=O)c4ccccc4C3=O)c1)O2 ZINC000587392626 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)O2 ZINC000587393144 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)O2 ZINC000587393147 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)O2 ZINC000587393515 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc1)O2 ZINC000587393516 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394279 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394280 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c3nc4ccccc4n3c1)(c1ccccc1O)O2 ZINC000587394323 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c3nc4ccccc4n3c1)(c1ccccc1O)O2 ZINC000587394325 JJ Annotated Mild CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(CC(=O)c2cc(C)cc(N)c2O1)c1cc(O)ccc1-3 ZINC000587394625 JJ Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(CC(=O)c2cc(C)cc(N)c2O1)c1cc(O)ccc1-3 ZINC000587394626 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)O2 ZINC000587394820 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C1)O2 ZINC000587394826 JJ Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395392 JJ Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395394 JJ Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587395685 JJ Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587395686 JJ Annotated Anodyne COc1ccc([C@@]2([C@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395940 JJ Annotated Anodyne COc1ccc([C@@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395944 JJ Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395945 JJ Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395946 JJ Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587396436 JJ Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587396442 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc31)O2 ZINC000587397410 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc31)O2 ZINC000587397413 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc31)O2 ZINC000587397417 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc31)O2 ZINC000587397421 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C1)N3Cc1ccccc1)O2 ZINC000587398039 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C1)N3Cc1ccccc1)O2 ZINC000587398042 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587398219 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587398221 JJ Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C)C(=O)OCC ZINC000587398485 JJ Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C)C(=O)OCC ZINC000587398486 JJ Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398513 JJ Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398514 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587398621 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587398623 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587398645 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587398646 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398992 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398993 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587399052 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587399054 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 ZINC000587399570 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 ZINC000587399571 JJ Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1OC ZINC000587399895 JJ Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1OC ZINC000587399897 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc31)O2 ZINC000587400076 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc31)O2 ZINC000587400077 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 ZINC000587400194 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 ZINC000587400198 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587400852 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587400878 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400932 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400937 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc31)O2 ZINC000587401633 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc31)O2 ZINC000587401634 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1ccccc1O)O2 ZINC000587401735 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1ccccc1O)O2 ZINC000587401739 JJ Annotated Mild CCOc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587401794 JJ Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587401796 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587401883 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587401885 JJ Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(OC)cc1 ZINC000587402195 JJ Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(OC)cc1 ZINC000587402197 JJ Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(OC)cc1 ZINC000587402199 JJ Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(OC)cc1 ZINC000587402200 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)N1CCN(c3ccccc3)CC1)(c1c(C)[nH]c3ccccc13)O2 ZINC000587402367 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)N1CCN(c3ccccc3)CC1)(c1c(C)[nH]c3ccccc13)O2 ZINC000587402368 JJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587405900 JJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587405904 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1C3=O ZINC000587406070 JJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1C3=O ZINC000587406071 JJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC3=C1[C@H](C1C(=O)CCCC1=O)c1ccccc1O3)O2 ZINC000587406330 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC3=C1[C@H](C1C(=O)CCCC1=O)c1ccccc1O3)O2 ZINC000587406331 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC3=C1[C@@H](C1C(=O)CCCC1=O)c1ccccc1O3)O2 ZINC000587406333 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC3=C1[C@@H](C1C(=O)CCCC1=O)c1ccccc1O3)O2 ZINC000587406336 JJ Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587406720 JJ Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587406729 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587407082 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587407083 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587407084 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587407085 JJ Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587407243 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587407251 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587407252 JJ Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587407253 JJ Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4cc(C)cc(N)c4O1)c1c(O)cccc1O3)[C@H]1C=CO[C@H]1O2 ZINC000587407310 JJ Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4cc(C)cc(N)c4O1)c1c(O)cccc1O3)[C@@H]1C=CO[C@@H]1O2 ZINC000587407324 JJ Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4cc(C)cc(N)c4O1)c1c(O)cccc1O3)[C@H]1C=CO[C@@H]1O2 ZINC000587407326 JJ Annotated Anodyne COc1cc2c(c3c1[C@]1(CC(=O)c4cc(C)cc(N)c4O1)c1c(O)cccc1O3)[C@@H]1C=CO[C@H]1O2 ZINC000587407329 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3cc(O)ccc3C1=O)O2 ZINC000587407448 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3cc(O)ccc3C1=O)O2 ZINC000587407449 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3cc(O)ccc3C1=O)O2 ZINC000587407450 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3cc(O)ccc3C1=O)O2 ZINC000587407452 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587407499 JJ Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@H](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000587407517 JJ Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1SCC(=O)O)O2 ZINC000587407596 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1SCC(=O)O)O2 ZINC000587407601 JJ Annotated Anodyne CSc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587407646 JJ Annotated Bother CSc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587407647 JJ Annotated Bother COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587407653 JJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587407655 JJ Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587407657 JJ Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1O ZINC000587407658 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(C)coc2-c2ccc3c(c21)CCC[C@]3(C)CO ZINC000587407964 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(C)coc2-c2ccc3c(c21)CCC[C@]3(C)CO ZINC000587407969 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587407970 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587407973 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587407976 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587407979 JJ Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408049 JJ Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408050 JJ Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408051 JJ Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408053 JJ Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408055 JJ Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408056 JJ Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408057 JJ Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408058 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 ZINC000587408072 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 ZINC000587408073 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CCCC(=O)O)cc1)(c1ccccc1C(=O)O)O2 ZINC000587408167 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CCCC(=O)O)cc1)(c1ccccc1C(=O)O)O2 ZINC000587408169 JJ Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587408278 JJ Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587408281 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCC(C)CC3)Oc3cc(OCC(=O)O)ccc31)O2 ZINC000587409133 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCC(C)CC3)Oc3cc(OCC(=O)O)ccc31)O2 ZINC000587409136 JJ Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587409153 JJ Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587409154 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccc(O)cc3C1=O)O2 ZINC000587409345 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccc(O)cc3C1=O)O2 ZINC000587409348 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccc(O)cc3C1=O)O2 ZINC000587409351 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccc(O)cc3C1=O)O2 ZINC000587409354 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587409362 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587409367 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(NS(=O)(=O)N3CCCCC3)cc1)O2 ZINC000587409547 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(NS(=O)(=O)N3CCCCC3)cc1)O2 ZINC000587409548 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587409599 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587409600 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3c(O)cccc3C1=O)O2 ZINC000587409646 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3c(O)cccc3C1=O)O2 ZINC000587409650 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3c(O)cccc3C1=O)O2 ZINC000587409652 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3c(O)cccc3C1=O)O2 ZINC000587409653 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3ccccc3Cl)c1SCC(=O)O)O2 ZINC000587409723 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3ccccc3Cl)c1SCC(=O)O)O2 ZINC000587409725 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1 ZINC000587409977 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1 ZINC000587409979 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587410551 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587410552 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587410553 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587410554 JJ Annotated Mild COc1cc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3O2)cc(OC)c1OC ZINC000587410567 JJ Annotated Anodyne COc1cc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3O2)cc(OC)c1OC ZINC000587410568 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410585 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410586 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410587 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410588 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410589 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410590 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410591 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 ZINC000587410592 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nnc(-c3cccc(Br)c3)o1)O2 ZINC000587411017 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nnc(-c3cccc(Br)c3)o1)O2 ZINC000587411023 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587411430 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587411433 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCc4ccccn4)c(OC)c1)[C@@H](C2)C3=O ZINC000587411566 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCc4ccccn4)c(OC)c1)[C@@H](C2)C3=O ZINC000587411567 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(O)c(Br)c1)[C@@H](C2)C3=O ZINC000587411568 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(O)c(Br)c1)[C@@H](C2)C3=O ZINC000587411570 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4nc(C)c(Br)c4C)cc1)[C@@H](C2)C3=O ZINC000587411986 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4nc(C)c(Br)c4C)cc1)[C@@H](C2)C3=O ZINC000587411989 JJ Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC ZINC000587412249 JJ Annotated Reactive COc1ccc(-c2csc([C@@H](C#N)[C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC ZINC000587412256 JJ Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC ZINC000587412265 JJ Annotated Reactive COc1ccc(-c2csc([C@@H](C#N)[C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)n2)cc1OC ZINC000587412267 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)[C@@H](C2)C3=O ZINC000587412827 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)[C@@H](C2)C3=O ZINC000587412828 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C)c(Br)c4C)c1)[C@@H](C2)C3=O ZINC000587412891 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C)c(Br)c4C)c1)[C@@H](C2)C3=O ZINC000587412894 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@]4(C)CBr)[C@@H](C2)C3=O ZINC000587412927 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@]4(C)CBr)[C@@H](C2)C3=O ZINC000587412929 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@@]4(C)CBr)[C@@H](C2)C3=O ZINC000587412931 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@]1(C)[C@@]4(C)CBr)[C@@H](C2)C3=O ZINC000587412932 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(Br)cnn1Cc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587412976 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cnn1Cc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587412979 JJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587413121 JJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587413122 JJ Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587413123 JJ Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587413125 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O ZINC000587413246 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O ZINC000587413247 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CBr)ccc41)[C@@H](C2)C3=O ZINC000587413292 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CBr)ccc41)[C@@H](C2)C3=O ZINC000587413301 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(Br)c1OC)[C@@H](C2)C3=O ZINC000587413322 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(Br)c1OC)[C@@H](C2)C3=O ZINC000587413324 JJ Annotated Anodyne CCOc1cc(Br)c(Br)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O ZINC000587413713 JJ Annotated Anodyne CCOc1cc(Br)c(Br)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O ZINC000587413714 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413721 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413726 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587413743 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587413744 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587413746 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587413748 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1ccccc1Br)[C@@H](C2)C3=O ZINC000587413812 JJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(ccc3c2CCC[C@]3(C)CO)-c2occ(C)c21 ZINC000587413974 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(ccc3c2CCC[C@]3(C)CO)-c2occ(C)c21 ZINC000587413975 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414014 JJ Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCCC1OCCO1)[C@@H](C2)C3=O ZINC000587414058 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCCC1OCCO1)[C@@H](C2)C3=O ZINC000587414059 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CBr)[C@@]4(C)CBr)[C@@H](C2)C3=O ZINC000587414061 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CBr)[C@@]4(C)CBr)[C@@H](C2)C3=O ZINC000587414063 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587414093 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587414095 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587414100 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587414104 JJ Annotated Reactive CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414155 JJ Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414160 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Br)O2 ZINC000587414262 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Br)O2 ZINC000587414263 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CBr)cc41)[C@@H](C2)C3=O ZINC000587414824 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CBr)cc41)[C@@H](C2)C3=O ZINC000587414826 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)[C@@H](C2)C3=O ZINC000587414935 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)[C@@H](C2)C3=O ZINC000587414937 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)[C@@H](C2)C3=O ZINC000587414938 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)[C@@H](C2)C3=O ZINC000587414939 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(Br)c1)[C@@H](C2)C3=O ZINC000587414978 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(Br)c1)[C@@H](C2)C3=O ZINC000587414979 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1Br)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415149 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1Br)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415150 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1Br)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415151 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1Br)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415152 JJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C/Cl)O2 ZINC000587415245 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C\Cl)O2 ZINC000587415248 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C/Cl)O2 ZINC000587415249 JJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3c(sc4c3CCCC4)N/C1=C\Cl)O2 ZINC000587415250 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)c4ccc(Br)o4)cc1)[C@@H](C2)C3=O ZINC000587416484 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)c4ccc(Br)o4)cc1)[C@@H](C2)C3=O ZINC000587416486 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCCO5)c1C)[C@@H](C2)C3=O ZINC000587416505 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCCO5)c1C)[C@@H](C2)C3=O ZINC000587416507 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(N)c(C)cc(Br)c41)[C@@H](C2)C3=O ZINC000587416653 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(N)c(C)cc(Br)c41)[C@@H](C2)C3=O ZINC000587416656 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)cc(Br)c41)[C@@H](C2)C3=O ZINC000587416710 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)cc(Br)c41)[C@@H](C2)C3=O ZINC000587416711 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O ZINC000587416753 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O ZINC000587416754 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416801 JJ Annotated Mild COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416802 JJ Annotated Mild COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587416817 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnccc1C)(c1cncc(Br)c1C)[C@@H](C2)C3=O ZINC000587416824 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnccc1C)(c1cncc(Br)c1C)[C@@H](C2)C3=O ZINC000587416825 JJ Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416857 JJ Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416858 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416881 JJ Annotated Mild COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416882 JJ Annotated Mild COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587416928 JJ Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587416929 JJ Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587416930 JJ Annotated Reactive COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587416931 JJ Annotated Reactive CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416946 JJ Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416947 JJ Annotated Clean COc1cc2c3c(c1)O[C@@]1(CCOc4c(Br)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587417054 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(Br)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587417056 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)N4CCCC4)c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587417066 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4CCCC4)c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587417068 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587417077 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587417080 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc4c(CCl)cc(Br)cc4c1=O)[C@@H](C2)C3=O ZINC000587417169 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1coc4c(CCl)cc(Br)cc4c1=O)[C@@H](C2)C3=O ZINC000587417170 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(Br)=COc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417179 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C(=O)O)n(C)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417235 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(C(=O)O)n(C)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417239 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OCC(=O)O)cc1)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417268 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OCC(=O)O)cc1)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417272 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccc(OC)c(OC)c1)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417286 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(OC)c(OC)c1)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417290 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Br)=COc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417380 JJ Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587417432 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(Br)c(Br)c5c(c41)CCO5)[C@@H](C2)C3=O ZINC000587417456 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)c(Br)c5c(c41)CCO5)[C@@H](C2)C3=O ZINC000587417464 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(N(C)C)n(-c4ccc(Br)cc4)c1Cl)[C@@H](C2)C3=O ZINC000587417542 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(N(C)C)n(-c4ccc(Br)cc4)c1Cl)[C@@H](C2)C3=O ZINC000587417544 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(Br)n1)[C@@H](C2)C3=O ZINC000587417567 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(Br)n1)[C@@H](C2)C3=O ZINC000587417568 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc4c(Br)cc(Br)cc4c1=O)[C@@H](C2)C3=O ZINC000587417728 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc4c(Br)cc(Br)cc4c1=O)[C@@H](C2)C3=O ZINC000587417729 JJ Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O ZINC000587417901 JJ Annotated Anodyne CNc1ccc(Br)c2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O ZINC000587417903 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)OC(C)(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417911 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)OC(C)(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417913 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccccc1Cl)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587417953 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccccc1Cl)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587417956 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Br)cc(C)c(N)c41)[C@@H](C2)C3=O ZINC000587417961 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Br)cc(C)c(N)c41)[C@@H](C2)C3=O ZINC000587417962 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587418015 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587418018 JJ Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587418027 JJ Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587418036 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C[C@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587418138 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C[C@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587418141 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C[C@@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587418142 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C[C@@H]4COc5ccccc5O4)c1C)[C@@H](C2)C3=O ZINC000587418143 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc([N+](=O)[O-])c4)c1C)[C@@H](C2)C3=O ZINC000587418281 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc([N+](=O)[O-])c4)c1C)[C@@H](C2)C3=O ZINC000587418287 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587418340 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587418341 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(NC(=O)OC(C)(C)C)ncc1Br)[C@@H](C2)C3=O ZINC000587418398 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(NC(=O)OC(C)(C)C)ncc1Br)[C@@H](C2)C3=O ZINC000587418399 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1cnn4-c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587419052 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnn4-c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587419054 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CCc4ccccc4)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419138 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCc4ccccc4)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419154 JJ Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(C(=O)O)(c4ccc(Br)cc4)CC1)[C@@H](C2)C3=O ZINC000587419160 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419191 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419195 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419420 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419428 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587419830 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587419833 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587419923 JJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419928 JJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419930 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587419951 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1=C(N4CCOCC4)/C(=C/c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587420041 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1=C(N4CCOCC4)/C(=C/c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587420043 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(OC)c(OC)c4)nn4ccnc(Cl)c14)[C@@H](C2)C3=O ZINC000587420391 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(OC)c(OC)c4)nn4ccnc(Cl)c14)[C@@H](C2)C3=O ZINC000587420398 JJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587420445 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587420451 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587420513 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]([C@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587420521 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587420523 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587420524 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1ccccn1)[C@@H](C2)C3=O ZINC000587420595 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1ccccn1)[C@@H](C2)C3=O ZINC000587420597 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420972 JJ Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420978 JJ Annotated Bother COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587421022 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587421023 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587421174 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587421177 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 ZINC000587421220 JJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 ZINC000587421222 JJ Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421375 JJ Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421380 JJ Annotated Mild COc1cc2c3c(c1)OC1(CCN(Cc4ncc(C(F)(F)F)cc4Cl)CC1)[C@@H](C2)C3=O ZINC000587421423 JJ Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421519 JJ Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421521 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587421545 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587421546 JJ Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587421849 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)CCl)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587421859 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587421961 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587421973 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587422099 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587422100 JJ Annotated Reactive COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(C)c1C ZINC000587422397 JJ Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(C)c1C ZINC000587422409 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1cccc(C(F)(F)F)c1)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587422672 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1cccc(C(F)(F)F)c1)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587422676 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587422693 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587422696 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)CCl)cc41)[C@@H](C2)C3=O ZINC000587422749 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)CCl)cc41)[C@@H](C2)C3=O ZINC000587422753 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](COC(=O)CC(=O)Nc1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587422955 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)CC(=O)Nc1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587422957 JJ Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587422972 JJ Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587422975 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CO[C@H](c4cc(F)ccc4F)[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587422988 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CO[C@H](c4cc(F)ccc4F)[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587422990 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587423100 JJ Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587423104 JJ Annotated Mild COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccccc1OC(F)F)(c1ccccc1)[C@@H](C2)C3=O ZINC000587423196 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccccc1OC(F)F)(c1ccccc1)[C@@H](C2)C3=O ZINC000587423201 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C(F)(F)F)cc4C)c1)[C@@H](C2)C3=O ZINC000587423280 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C(F)(F)F)cc4C)c1)[C@@H](C2)C3=O ZINC000587423281 JJ Annotated Anodyne CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587423361 JJ Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587423368 JJ Annotated Mild COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423695 JJ Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423698 JJ Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(OC)c(Cl)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587423802 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(Cl)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587423806 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O ZINC000587424048 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O ZINC000587424049 JJ Annotated Reactive CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OC(F)F ZINC000587424247 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OC(F)F ZINC000587424251 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCCO4)(c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587424389 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCCO4)(c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587424394 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587424789 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587424790 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(Br)c1)[C@@H](C2)C3=O ZINC000587424880 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(Br)c1)[C@@H](C2)C3=O ZINC000587424881 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(=O)n(Cc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424981 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(=O)n(Cc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424982 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587425217 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587425218 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)ccc1Br)[C@@H](C2)C3=O ZINC000587426119 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)ccc1Br)[C@@H](C2)C3=O ZINC000587426120 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(Br)c1F)[C@@H](C2)C3=O ZINC000587426172 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(Br)c1F)[C@@H](C2)C3=O ZINC000587426173 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(F)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587426310 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(F)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587426311 JJ Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cccnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587426508 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cccnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587426509 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587426530 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587426531 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1Br)[C@@H](C2)C3=O ZINC000587426743 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1Br)[C@@H](C2)C3=O ZINC000587426745 JJ Annotated Reactive CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)Nc1ccccc1 ZINC000587427031 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)Nc1ccccc1 ZINC000587427032 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1I)[C@@H](C2)C3=O ZINC000587427118 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1I)[C@@H](C2)C3=O ZINC000587427120 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(I)cc1Br)[C@@H](C2)C3=O ZINC000587427180 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)cc1Br)[C@@H](C2)C3=O ZINC000587427181 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1I)[C@@H](C2)C3=O ZINC000587427530 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1I)[C@@H](C2)C3=O ZINC000587427542 JJ Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587427552 JJ Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587427563 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)ccc1Br)[C@@H](C2)C3=O ZINC000587427585 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)ccc1Br)[C@@H](C2)C3=O ZINC000587427586 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)c(F)c1)[C@@H](C2)C3=O ZINC000587427736 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)c(F)c1)[C@@H](C2)C3=O ZINC000587427737 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1N)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587427794 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Br)ccc1N)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587427797 JJ Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587428608 JJ Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587428609 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(I)cc4)o1)[C@@H](C2)C3=O ZINC000587428652 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(I)cc4)o1)[C@@H](C2)C3=O ZINC000587428653 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428666 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428667 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)[C@@H](C2)C3=O ZINC000587428749 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCCCC1)[C@@H](C2)C3=O ZINC000587428752 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(I)c1)[C@@H](C2)C3=O ZINC000587428798 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(I)c1)[C@@H](C2)C3=O ZINC000587428802 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(Br)cc1F)[C@@H](C2)C3=O ZINC000587428970 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(Br)cc1F)[C@@H](C2)C3=O ZINC000587428971 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587429127 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587429132 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O ZINC000587429244 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O ZINC000587429246 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4cccc(I)c14)[C@@H](C2)C3=O ZINC000587429283 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4cccc(I)c14)[C@@H](C2)C3=O ZINC000587429287 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(I)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587429305 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(I)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587429310 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1I)[C@@H](C2)C3=O ZINC000587429393 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1I)[C@@H](C2)C3=O ZINC000587429395 JJ Annotated Anodyne CCCOc1c(I)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587429432 JJ Annotated Anodyne CCCOc1c(I)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587429433 JJ Annotated Anodyne CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(F)cc1 ZINC000587429483 JJ Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(F)cc1 ZINC000587429484 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1sc(Nc4cccc(F)c4)nc1N)[C@@H](C2)C3=O ZINC000587429524 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1sc(Nc4cccc(F)c4)nc1N)[C@@H](C2)C3=O ZINC000587429525 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587429821 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587429825 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCCC1)(c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587430072 JJ Annotated Clean COc1cc2c3c(c1)O[C@](CN1CCCC1)(c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587430073 JJ Annotated Clean COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(I)cc(Cl)cc14)[C@@H](C2)C3=O ZINC000587430119 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(I)cc(Cl)cc14)[C@@H](C2)C3=O ZINC000587430120 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1I)[C@@H](C2)C3=O ZINC000587430201 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1I)[C@@H](C2)C3=O ZINC000587430206 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(OC(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587430228 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(OC(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587430229 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(I)c1)[C@@H](C2)C3=O ZINC000587430230 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(I)c1)[C@@H](C2)C3=O ZINC000587430232 JJ Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430306 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1nc4ccccc4n1Cc1ccon1)[C@@H](C2)C3=O ZINC000587430373 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1nc4ccccc4n1Cc1ccon1)[C@@H](C2)C3=O ZINC000587430374 JJ Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430469 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)N1CCCc4ccccc41)(c1cn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430640 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)N1CCCc4ccccc41)(c1cn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430641 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4c1c(C)nn4-c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587430751 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4c1c(C)nn4-c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587430754 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430835 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430846 JJ Annotated Bother CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431434 JJ Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431438 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431779 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431780 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c(OC)c1 ZINC000587431789 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c(OC)c1 ZINC000587431790 JJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587431813 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587431814 JJ Annotated Bother COC(=O)c1ccc2c(c1)c([C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)cn2Cc1cccc(C#N)c1 ZINC000587431955 JJ Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)cn2Cc1cccc(C#N)c1 ZINC000587431958 JJ Annotated Mild CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432093 JJ Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432094 JJ Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587432194 JJ Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587432195 JJ Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587432196 JJ Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587432197 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587432555 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587432556 JJ Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)cn2C(=O)OC(C)(C)C ZINC000587432661 JJ Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)cn2C(=O)OC(C)(C)C ZINC000587432662 JJ Annotated Anodyne COC(=O)c1ccccc1Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587432676 JJ Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587432677 JJ Annotated Bother COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432704 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432705 JJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432706 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432707 JJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587432760 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587432763 JJ Annotated Bother CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432920 JJ Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432921 JJ Annotated Clean COc1cc2c3c(c1)O[C@](c1cnn(-c4ccccc4)c1N)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587433213 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnn(-c4ccccc4)c1N)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587433215 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587433221 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587433223 JJ Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587433247 JJ Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587433252 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587434003 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587434004 JJ Annotated Anodyne COC(=O)c1cccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c1 ZINC000587434030 JJ Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c1 ZINC000587434031 JJ Annotated Bother COCc1cc(C)nc2oc([C@@]3(c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(N)c12 ZINC000587434050 JJ Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(N)c12 ZINC000587434051 JJ Annotated Anodyne COC(=O)c1ccc(Oc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 ZINC000587434056 JJ Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 ZINC000587434057 JJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O ZINC000587434082 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O ZINC000587434083 JJ Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434286 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434287 JJ Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434406 JJ Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434407 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 ZINC000587434478 JJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 ZINC000587434479 JJ Annotated Bother COc1ccc([C@@]2([C@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434591 JJ Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434592 JJ Annotated Anodyne COc1ccc([C@@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434593 JJ Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434594 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc([N+](=O)[O-])cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587434680 JJ Annotated Bother COc1cc2c3c(c1)O[C@@]1(C(c4ccc([N+](=O)[O-])cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587434681 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])c(C)c4)c1)[C@@H](C2)C3=O ZINC000587434696 JJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])c(C)c4)c1)[C@@H](C2)C3=O ZINC000587434697 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O ZINC000587434774 JJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O ZINC000587434775 JJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc1)[C@@H](C2)C3=O ZINC000587434925 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc1)[C@@H](C2)C3=O ZINC000587434931 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4[C@H](C)CCC[C@H]4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587435023 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4[C@@H](C)CCC[C@H]4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587435029 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)N4[C@@H](C)CCC[C@H]4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587435031 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4[C@@H](C)CCC[C@@H]4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587435033 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn4c5c(cccc15)CN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587435185 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn4c5c(cccc15)CN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587435190 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435216 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435224 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc1)[C@@H](C2)C3=O ZINC000587435487 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc1)[C@@H](C2)C3=O ZINC000587435490 JJ Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435570 JJ Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435573 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(C#N)c4nc5ccccc5n4c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587436331 JJ Annotated Mild COc1cc2c3c(c1)O[C@@](c1cc(C#N)c4nc5ccccc5n4c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587436332 JJ Annotated Mild COc1cc2c3c(c1)O[C@](CCCCC1OCCO1)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437209 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCC1OCCO1)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437210 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)C1)[C@@H](C2)C3=O ZINC000587437487 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCC4c5ccccc5-c5ccccc54)C1)[C@@H](C2)C3=O ZINC000587437491 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438040 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438041 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4nn(Cc5ccon5)c5cccc1c45)[C@@H](C2)C3=O ZINC000587438049 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4nn(Cc5ccon5)c5cccc1c45)[C@@H](C2)C3=O ZINC000587438050 JJ Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438617 JJ Annotated Anodyne COc1ccc([C@@H]2O[C@H]2[C@@]2(c3c[nH]c4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438619 JJ Annotated Anodyne COc1ccc([C@@H]2O[C@H]2[C@]2(c3c[nH]c4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438620 JJ Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438622 JJ Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587439379 JJ Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587439385 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587439745 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587439746 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)c1cc(C4CC4)nc4onc(C)c14)(c1ccccc1)[C@@H](C2)C3=O ZINC000587439906 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](COC(=O)c1cc(C4CC4)nc4onc(C)c14)(c1ccccc1)[C@@H](C2)C3=O ZINC000587439912 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587440580 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587440581 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587440630 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587440649 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(N4CCOCC4)Oc4c(-c5ccccc5)cccc41)[C@@H](C2)C3=O ZINC000587441218 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(N4CCOCC4)Oc4c(-c5ccccc5)cccc41)[C@@H](C2)C3=O ZINC000587441224 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587441504 JJ Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587441507 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587441524 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587441527 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587441771 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587441774 JJ Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441945 JJ Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441946 JJ Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587442087 JJ Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587442099 JJ Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCCC ZINC000587442140 JJ Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCCC ZINC000587442142 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587442320 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587442322 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587442327 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587442334 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587442503 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587442504 JJ Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587442541 JJ Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587442544 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442601 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442603 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587442662 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 ZINC000587442664 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442967 JJ Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442968 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587443047 JJ Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587443050 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cc(C=O)ccc4OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587443741 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cc(C=O)ccc4OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587443744 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443815 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443817 JJ Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(OC)cc1 ZINC000587444220 JJ Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(OC)cc1 ZINC000587444232 JJ Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(OC)cc1 ZINC000587444236 JJ Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccc(OC)cc1 ZINC000587444242 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C=O)cc4OC)c1)[C@@H](C2)C3=O ZINC000587444750 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C=O)cc4OC)c1)[C@@H](C2)C3=O ZINC000587444751 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4CC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587444871 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4CC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587444872 JJ Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587445156 JJ Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587445160 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C#N)c(=O)n(C4CCCCC4)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587445292 JJ Annotated Mild COc1cc2c3c(c1)O[C@](c1cc(C#N)c(=O)n(C4CCCCC4)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587445293 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)CC[C@]4(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]5CC[C@H]14)[C@@H](C2)C3=O ZINC000587446874 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)CC[C@]4(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]5CC[C@@H]14)[C@@H](C2)C3=O ZINC000587446875 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)CC[C@]4(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]5CC[C@@H]41)[C@@H](C2)C3=O ZINC000587446876 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)CC[C@]4(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]5CC[C@H]41)[C@@H](C2)C3=O ZINC000587446877 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC(=O)C6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447082 JJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC(=O)C6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447083 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@]4(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]5CC[C@H]4C1=O)[C@@H](C2)C3=O ZINC000587447275 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@]4(C)[C@H]5CC[C@]6(C)C(=O)CC[C@H]6[C@@H]5CC[C@H]4C1=O)[C@@H](C2)C3=O ZINC000587447276 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C1=O)[C@@H](C2)C3=O ZINC000587447277 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C1=O)[C@@H](C2)C3=O ZINC000587447278 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5C(=O)C[C@]41C)[C@H](C2)C3=O ZINC000587447379 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@@]6(C)[C@@H]5C(=O)C[C@@]41C)[C@H](C2)C3=O ZINC000587447380 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587447381 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@@]6(C)[C@@H]5C(=O)C[C@]41C)[C@H](C2)C3=O ZINC000587447382 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5C(=O)C[C@@]41C)[C@H](C2)C3=O ZINC000587447383 JJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587447384 JJ Annotated Mild COc1cc2c3c(c1)O[C@@H](C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587447748 JJ Annotated Unstable COc1cc2c3c(c1)O[C@H](C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587447749 JJ Annotated Unstable CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447809 JJ Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447810 JJ Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447811 JJ Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587447812 JJ Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccsc1)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587447909 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccsc1)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587447910 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(ccc5c4CCC[C@]5(C)CO)-c4occ(C)c41)[C@@H](C2)C3=O ZINC000587447923 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(ccc5c4CCC[C@]5(C)CO)-c4occ(C)c41)[C@@H](C2)C3=O ZINC000587447928 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CSc1nnc(-c4cccc(Br)c4)o1)[C@@H](C2)C3=O ZINC000587447931 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CSc1nnc(-c4cccc(Br)c4)o1)[C@@H](C2)C3=O ZINC000587447936 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587447965 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587447968 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC[C@@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448014 JJ Annotated Clean COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC[C@@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448018 JJ Annotated Clean COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC[C@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448022 JJ Annotated Clean COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC[C@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448026 JJ Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc5c(cc41)C(=O)c1ccccc1C5=O)[C@@H](C2)C3=O ZINC000587448117 JJ Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc5c(cc41)C(=O)c1ccccc1C5=O)[C@@H](C2)C3=O ZINC000587448120 JJ Annotated Clean COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587448125 JJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587448132 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587448594 JJ Annotated Unstable COc1cc2c3c(c1)O[C@](C)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587448595 JJ Annotated Unstable COc1cc2c3c(c1)O[C@](C)(c1sc(Cc4ccc(OC)c(OC)c4)nc1C)[C@@H](C2)C3=O ZINC000587449049 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(Cc4ccc(OC)c(OC)c4)nc1C)[C@@H](C2)C3=O ZINC000587449052 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449139 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449140 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449141 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449143 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449144 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449145 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449146 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587449147 JJ Annotated Anodyne CCOC(=O)c1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(Cc2cccs2)c1C ZINC000587449758 JJ Annotated Anodyne CCOC(=O)c1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n(Cc2cccs2)c1C ZINC000587449762 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(C=O)c(Br)c1Br)[C@@H](C2)C3=O ZINC000587449854 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(C=O)c(Br)c1Br)[C@@H](C2)C3=O ZINC000587449855 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587450008 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587450020 JJ Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587450065 JJ Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587450075 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450182 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450183 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450184 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450186 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450188 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450190 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCN(S(=O)(=O)c4ccc(C)cc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587450191 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450193 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587450195 JJ Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)c1 ZINC000587450202 JJ Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)c1 ZINC000587450203 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCN(S(=O)(=O)c4ccc(C)cc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587450206 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587450662 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587450664 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587450666 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587450670 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4cc(C)ccc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587450796 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4cc(C)ccc4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587450801 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587451014 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587451015 JJ Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1sc4nc(C)cc(C)c4c1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587451134 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1sc4nc(C)cc(C)c4c1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587451140 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5C[C@@]6(CO6)C6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587451306 JJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5C[C@]6(CO6)C6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587451310 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5C[C@]6(CO6)C6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587451313 JJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5C[C@@]6(CO6)C6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587451316 JJ Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C4=C(OC[C@@H]4C)c4ccc5c(c41)CCCC5(C)C)[C@@H](C2)C3=O ZINC000587451416 JJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C4=C(OC[C@@H]4C)c4ccc5c(c41)CCCC5(C)C)[C@@H](C2)C3=O ZINC000587451420 JJ Annotated Mild COc1cc2c3c(c1)O[C@@](CP(=O)(OC)OC)([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H](C2)C3=O ZINC000587451451 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CP(=O)(OC)OC)([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H](C2)C3=O ZINC000587451453 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587451543 JJ Annotated Unstable COc1cc2c3c(c1)O[C@H](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587451545 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](C(Br)(Br)CBr)CC2=O ZINC000587451823 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](C(Br)(Br)CBr)CC2=O ZINC000587451826 JJ Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4c(OC)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587451957 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4c(OC)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587451963 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4c(OC)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587451969 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4c(OC)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587451972 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCCC5)[C@@H](C2)C3=O ZINC000587452096 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCCC5)[C@@H](C2)C3=O ZINC000587452102 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCCC5)[C@@H](C2)C3=O ZINC000587452106 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCCC5)[C@@H](C2)C3=O ZINC000587452108 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(OC(C)C)cc4Oc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587452208 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(OC(C)C)cc4Oc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587452218 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587452561 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587452562 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587452563 JJ Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587452564 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587452585 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587452590 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O ZINC000587452627 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O ZINC000587452628 JJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O ZINC000587452629 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)c1nc(-c4ccc(OC)c(OC)c4)cs1)[C@@H](C2)C3=O ZINC000587452630 JJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(SC4CN(C(=O)OC(C)(C)C)C4)cc1)[C@@H](C2)C3=O ZINC000587452736 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SC4CN(C(=O)OC(C)(C)C)C4)cc1)[C@@H](C2)C3=O ZINC000587452739 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccccc4Cl)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587452766 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccccc4Cl)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587452769 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Br)[C@@H](C2)C3=O ZINC000587453169 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Br)[C@@H](C2)C3=O ZINC000587453170 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCC(C)CC4)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587453257 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCC(C)CC4)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587453261 JJ Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)CSc4ccc5ccccc5c4)CC1)[C@@H](C2)C3=O ZINC000587453282 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4Oc4c5c(cc(OC)c41)O[C@@H]1OC=C[C@H]51)[C@@H](C2)C3=O ZINC000587453386 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4Oc4c5c(cc(OC)c41)O[C@H]1OC=C[C@H]51)[C@@H](C2)C3=O ZINC000587453394 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4Oc4c5c(cc(OC)c41)O[C@H]1OC=C[C@@H]51)[C@@H](C2)C3=O ZINC000587453396 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4Oc4c5c(cc(OC)c41)O[C@@H]1OC=C[C@@H]51)[C@@H](C2)C3=O ZINC000587453399 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4c(sc5c4CCCC5)N/C1=C\Cl)[C@@H](C2)C3=O ZINC000587453607 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4c(sc5c4CCCC5)N/C1=C/Cl)[C@@H](C2)C3=O ZINC000587453614 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4c(sc5c4CCCC5)N/C1=C\Cl)[C@@H](C2)C3=O ZINC000587453616 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4c(sc5c4CCCC5)N/C1=C/Cl)[C@@H](C2)C3=O ZINC000587453618 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587453773 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587453774 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587454190 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587454191 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C([C@@H]4OCCc5cc(OC)c(OC)cc54)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587454646 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C([C@@H]4OCCc5cc(OC)c(OC)cc54)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587454647 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C([C@H]4OCCc5cc(OC)c(OC)cc54)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587454648 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C([C@H]4OCCc5cc(OC)c(OC)cc54)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587454649 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4cc(OC)c(OC)c(OC)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454717 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4cc(OC)c(OC)c(OC)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454718 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(OC)c(OC)c4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587454756 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(OC)c(OC)c4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587454757 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC4=C1[C@H](C1C(=O)CCCC1=O)c1ccccc1O4)[C@@H](C2)C3=O ZINC000587454809 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC4=C1[C@@H](C1C(=O)CCCC1=O)c1ccccc1O4)[C@@H](C2)C3=O ZINC000587454810 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC4=C1[C@@H](C1C(=O)CCCC1=O)c1ccccc1O4)[C@@H](C2)C3=O ZINC000587454811 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC4=C1[C@H](C1C(=O)CCCC1=O)c1ccccc1O4)[C@@H](C2)C3=O ZINC000587454812 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)ccc4O[C@@H]1c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587455026 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)ccc4O[C@H]1c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587455027 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)ccc4O[C@H]1c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587455028 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)ccc4O[C@@H]1c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587455029 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(C)coc4-c4ccc5c(c41)CCC[C@]5(C)CO)[C@@H](C2)C3=O ZINC000587455095 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(C)coc4-c4ccc5c(c41)CCC[C@]5(C)CO)[C@@H](C2)C3=O ZINC000587455096 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)c(C)cc4O[C@@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455328 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)c(C)cc4O[C@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455331 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)c(C)cc4O[C@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455332 JJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)c(C)cc4O[C@@H]1c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587455333 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O ZINC000587455341 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O ZINC000587455342 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N1CCN(C)CC1)CC2=O ZINC000587455491 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N1CCN(C)CC1)CC2=O ZINC000587455503 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)c1OCC(=O)OCC)CC2=O ZINC000587455587 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)c1OCC(=O)OCC)CC2=O ZINC000587455588 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)CC2=O ZINC000587455623 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)CC2=O ZINC000587455624 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC(=O)N3)([C@H](C)Br)CC2=O ZINC000587455625 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC(=O)N3)([C@@H](C)Br)CC2=O ZINC000587455626 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Br)CC2=O ZINC000587455701 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Br)CC2=O ZINC000587455708 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Br)CC2=O ZINC000587455709 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Br)CC2=O ZINC000587455710 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(CCCN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587455774 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(CCCN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587455775 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Br)c1OCC(=O)O)CC2=O ZINC000587455788 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Br)c1OCC(=O)O)CC2=O ZINC000587455789 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(OC)cc1Br)CC2=O ZINC000587455817 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(OC)cc1Br)CC2=O ZINC000587455818 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCC(=O)N3C)CC2=O ZINC000587456128 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3C)CC2=O ZINC000587456129 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O ZINC000587456286 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O ZINC000587456287 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCCC3=O)cc1)CC2=O ZINC000587456296 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCCC3=O)cc1)CC2=O ZINC000587456297 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)c(Br)c1)CC2=O ZINC000587456469 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)c(Br)c1)CC2=O ZINC000587456471 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587456550 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587456551 JJ Annotated Reactive CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587456779 JJ Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587456780 JJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587456781 JJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587456783 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)c(OC)c1Br)CC2=O ZINC000587456853 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)c(OC)c1Br)CC2=O ZINC000587456881 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(Br)ccc1OC)CC2=O ZINC000587456994 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(Br)ccc1OC)CC2=O ZINC000587456997 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC(=O)OCC)c(OC)c1)CC2=O ZINC000587457031 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC(=O)OCC)c(OC)c1)CC2=O ZINC000587457040 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587457104 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587457106 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587457107 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587457108 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N1CCN(C)CC1)CC2=O ZINC000587457109 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N1CCN(C)CC1)CC2=O ZINC000587457110 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(C)C)c2ccc(Br)cc21 ZINC000587457119 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(C)C)c2ccc(Br)cc21 ZINC000587457121 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(N3CCCC3=O)c1)CC2=O ZINC000587457246 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(N3CCCC3=O)c1)CC2=O ZINC000587457247 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(OC)c(OC)cc1Br)CC2=O ZINC000587457289 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(OC)c(OC)cc1Br)CC2=O ZINC000587457294 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Br)c(Br)cc21 ZINC000587457459 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Br)c(Br)cc21 ZINC000587457460 JJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587457583 JJ Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587457584 JJ Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(Br)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587457585 JJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587457586 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cc(Br)cc21 ZINC000587457741 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cc(Br)cc21 ZINC000587457742 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(O)nc1/C=C/N(C)C)CC2=O ZINC000587457815 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(O)nc1/C=C/N(C)C)CC2=O ZINC000587457816 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(O)nc1/C=C\N(C)C)CC2=O ZINC000587457817 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(O)nc1/C=C\N(C)C)CC2=O ZINC000587457818 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(Cc3ccc(Br)cc3)c1C)CC2=O ZINC000587457839 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nnn(Cc3ccc(Br)cc3)c1C)CC2=O ZINC000587457841 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc(Br)cnc1Br)CC2=O ZINC000587457917 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc(Br)cnc1Br)CC2=O ZINC000587457918 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1cc(Br)ccc1N)CC2=O ZINC000587457999 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1cc(Br)ccc1N)CC2=O ZINC000587458000 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCC1OCCO1)CC2=O ZINC000587458007 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCC1OCCO1)CC2=O ZINC000587458009 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 ZINC000587458451 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(NC(=O)CCl)cc21 ZINC000587458453 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC2=O ZINC000587458673 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC2=O ZINC000587458677 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587458807 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587458815 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3cccc(Br)c3)c1C)CC2=O ZINC000587458850 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3cccc(Br)c3)c1C)CC2=O ZINC000587458864 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(N)=O)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587458925 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(N)=O)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587458931 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1[nH]c(C(=O)OCC)c3Br)CC2=O ZINC000587458992 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1[nH]c(C(=O)OCC)c3Br)CC2=O ZINC000587459015 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCNCC2)Oc2ccc(Br)cc21 ZINC000587459110 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCNCC2)Oc2ccc(Br)cc21 ZINC000587459113 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3cc(OC)c(OC)cc3N/C1=C/Cl)CC2=O ZINC000587459335 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3cc(OC)c(OC)cc3N/C1=C\Cl)CC2=O ZINC000587459338 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3cc(OC)c(OC)cc3N/C1=C\Cl)CC2=O ZINC000587459340 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3cc(OC)c(OC)cc3N/C1=C/Cl)CC2=O ZINC000587459344 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587459346 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 ZINC000587459347 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)ccc21 ZINC000587459348 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587459359 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(Cn3c(=O)oc4ccc(Cl)cc43)OC=C1OC)CC2=O ZINC000587459435 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(Cn3c(=O)oc4ccc(Cl)cc43)OC=C1OC)CC2=O ZINC000587459442 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3c(Br)cnn3C)cc1)CC2=O ZINC000587459570 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3c(Br)cnn3C)cc1)CC2=O ZINC000587459575 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(Br)ccc1OC)CC2=O ZINC000587459605 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(Br)ccc1OC)CC2=O ZINC000587459606 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O ZINC000587459791 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1Br)CC2=O ZINC000587459793 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1Br)CC2=O ZINC000587459794 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1Br)CC2=O ZINC000587459796 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCC=O)cc1)(c1cncc(Br)c1)CC2=O ZINC000587459888 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC=O)cc1)(c1cncc(Br)c1)CC2=O ZINC000587459898 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCN(C(C)=O)CC3)c(Cl)c1)CC2=O ZINC000587460538 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCN(C(C)=O)CC3)c(Cl)c1)CC2=O ZINC000587460539 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3nn(C)cc3Br)cc1)CC2=O ZINC000587460611 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3nn(C)cc3Br)cc1)CC2=O ZINC000587460614 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)CC2=O ZINC000587460914 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)CC2=O ZINC000587460917 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(N(C(C)=O)C2CC2)=C(Cl)C(=O)c2ccccc21 ZINC000587460950 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(N(C(C)=O)C2CC2)=C(Cl)C(=O)c2ccccc21 ZINC000587460954 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)ccc(Br)c21 ZINC000587461122 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)ccc(Br)c21 ZINC000587461123 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OCC(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587461156 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OCC(=O)N(C)C)c(OCC)c1)CC2=O ZINC000587461157 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)CC2=O ZINC000587461604 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)CC2=O ZINC000587461607 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(Cl)c([N+](=O)[O-])n3)c1)CC2=O ZINC000587461938 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(Cl)c([N+](=O)[O-])n3)c1)CC2=O ZINC000587461939 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)CC2=O ZINC000587462304 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O)c(CNC(=O)CCl)c1)CC2=O ZINC000587462305 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Cl)=C(N(C(C)=O)C2CC2)C(=O)c2ccccc21 ZINC000587462507 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Cl)=C(N(C(C)=O)C2CC2)C(=O)c2ccccc21 ZINC000587462510 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587462800 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587462803 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587462808 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587462810 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587463119 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587463120 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587463587 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587463595 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587463620 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587463623 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)([C@H](C)n1cc(C(F)(F)F)ccc1=O)CC2=O ZINC000587464057 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)([C@H](C)n1cc(C(F)(F)F)ccc1=O)CC2=O ZINC000587464058 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)([C@@H](C)n1cc(C(F)(F)F)ccc1=O)CC2=O ZINC000587464059 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)([C@@H](C)n1cc(C(F)(F)F)ccc1=O)CC2=O ZINC000587464060 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464718 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464719 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCC(C(F)(F)F)CC1)(c1c[nH]c(C=O)c1)CC2=O ZINC000587464762 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCC(C(F)(F)F)CC1)(c1c[nH]c(C=O)c1)CC2=O ZINC000587464763 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587464826 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587464827 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]1)CC2=O ZINC000587464893 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)CN3CCC(C(F)(F)F)CC3)c[nH]1)CC2=O ZINC000587464894 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)c(F)c(OC)c1F)CC2=O ZINC000587464964 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(F)c(OC)c1F)CC2=O ZINC000587464965 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)CC2=O ZINC000587465378 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)CC2=O ZINC000587465379 JJ Annotated Clean CCCCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc(O)c(CCC)c3O2)cc(C#N)c1=O ZINC000587465489 JJ Annotated Mild CCCCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc(O)c(CCC)c3O2)cc(C#N)c1=O ZINC000587465491 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587465875 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587465878 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587465879 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587465880 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)c(F)c1)CC2=O ZINC000587466017 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)c(F)c1)CC2=O ZINC000587466020 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)CC2=O ZINC000587466261 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C(/c1ccc(F)cc1)N1CCOCC1)CC2=O ZINC000587466263 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)NCc3ccc(F)cc3)cc1)CC2=O ZINC000587466294 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)NCc3ccc(F)cc3)cc1)CC2=O ZINC000587466295 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)cc1F)CC2=O ZINC000587466314 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(S(C)(=O)=O)c1)(c1ccc(F)cc1F)CC2=O ZINC000587466315 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(-c3noc(Cn4ccnc4C)n3)c1)CC2=O ZINC000587466335 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(-c3noc(Cn4ccnc4C)n3)c1)CC2=O ZINC000587466338 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000587466422 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000587466424 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(Br)ccc1F)CC2=O ZINC000587466493 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(Br)ccc1F)CC2=O ZINC000587466496 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(F)cccc1Br)CC2=O ZINC000587466865 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(F)cccc1Br)CC2=O ZINC000587466867 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(I)=COc2cccc(OC)c21 ZINC000587467098 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(I)=COc2cccc(OC)c21 ZINC000587467099 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587467264 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587467267 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(S(C)(=O)=O)c1)(c1cc(F)ccc1F)CC2=O ZINC000587467392 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(S(C)(=O)=O)c1)(c1cc(F)ccc1F)CC2=O ZINC000587467393 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(COC(=O)Nc3ccccc3)OC=C1OC)CC2=O ZINC000587467734 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(COC(=O)Nc3ccccc3)OC=C1OC)CC2=O ZINC000587467739 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)CC2=O ZINC000587467811 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)cc([N+](=O)[O-])c1OC)CC2=O ZINC000587467812 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccc(Br)c1F)CC2=O ZINC000587467851 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccc(Br)c1F)CC2=O ZINC000587467854 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc3ncc(I)n13)CC2=O ZINC000587468109 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc3ncc(I)n13)CC2=O ZINC000587468114 JJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])cccc21 ZINC000587468905 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC)cc1OCC(=O)N(C)C)CC2=O ZINC000587469187 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC)cc1OCC(=O)N(C)C)CC2=O ZINC000587469190 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(Cl)nc1Cl)CC2=O ZINC000587469222 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)c(Cl)nc1Cl)CC2=O ZINC000587469224 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3[nH]cc(I)c3c1)CC2=O ZINC000587469271 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3[nH]cc(I)c3c1)CC2=O ZINC000587469272 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCn3c([N+](=O)[O-])cnc3C)c(OCC)c1)CC2=O ZINC000587469383 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCn3c([N+](=O)[O-])cnc3C)c(OCC)c1)CC2=O ZINC000587469385 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(I)c1)CC2=O ZINC000587469519 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(I)c1)CC2=O ZINC000587469527 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C(C(=O)N[C@]4(C(=O)O)C[C@@H]4CC)=C[C@@H](CC)C[C@@H]31)CC2=O ZINC000587469557 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C(C(=O)N[C@]4(C(=O)O)C[C@@H]4CC)=C[C@H](CC)C[C@H]31)CC2=O ZINC000587469566 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C(C(=O)N[C@]4(C(=O)O)C[C@@H]4CC)=C[C@@H](CC)C[C@H]31)CC2=O ZINC000587469570 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C(C(=O)N[C@]4(C(=O)O)C[C@@H]4CC)=C[C@H](CC)C[C@@H]31)CC2=O ZINC000587469573 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(I)cc1)([C@H]1CCCO1)CC2=O ZINC000587469712 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(I)cc1)([C@H]1CCCO1)CC2=O ZINC000587469715 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(I)cc1)([C@@H]1CCCO1)CC2=O ZINC000587469717 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(I)cc1)([C@@H]1CCCO1)CC2=O ZINC000587469720 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C(=O)OC)n(C(=O)OC(C)(C)C)c1)CC2=O ZINC000587469791 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C(=O)OC)n(C(=O)OC(C)(C)C)c1)CC2=O ZINC000587469792 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(I)ccc(OC)c31)CC2=O ZINC000587469999 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(I)ccc(OC)c31)CC2=O ZINC000587470011 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1)CC2=O ZINC000587470058 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1)CC2=O ZINC000587470059 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(I)c([N+](=O)[O-])c1)CC2=O ZINC000587470115 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(I)c([N+](=O)[O-])c1)CC2=O ZINC000587470118 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c3ccnc-3[nH]c(I)c1F)CC2=O ZINC000587470299 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c3ccnc-3[nH]c(I)c1F)CC2=O ZINC000587470300 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccc(I)cc31)CC2=O ZINC000587470321 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(I)cc31)CC2=O ZINC000587470322 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OCC)c1)CC2=O ZINC000587470525 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OCC)c1)CC2=O ZINC000587470526 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000587470553 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000587470554 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(I)cc31)CC2=O ZINC000587470652 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(I)cc31)CC2=O ZINC000587470653 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(I)cc1)CC2=O ZINC000587470698 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(I)cc1)CC2=O ZINC000587470699 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)cc(C)c1N)CC2=O ZINC000587470734 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)cc(C)c1N)CC2=O ZINC000587470735 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)(CNC(=O)OC(C)(C)C)CC2=O ZINC000587470872 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)(CNC(=O)OC(C)(C)C)CC2=O ZINC000587470880 JJ Annotated Anodyne C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587471044 JJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587471046 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)CC2=O ZINC000587471126 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)CC2=O ZINC000587471127 JJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2c(cccc2[N+](=O)[O-])C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587471238 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587471478 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587471479 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471539 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471540 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471541 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471542 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3C(N)=O)c1)CC2=O ZINC000587471608 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3C(N)=O)c1)CC2=O ZINC000587471611 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(I)c1)CC2=O ZINC000587471691 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(I)c1)CC2=O ZINC000587471692 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3noc(Cn4ccnc4CC)n3)c1)CC2=O ZINC000587471789 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3noc(Cn4ccnc4CC)n3)c1)CC2=O ZINC000587471790 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N(C)C)cc1)([C@H](C)/C=C(C)/C=C/C(=O)NO)CC2=O ZINC000587471845 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(N(C)C)cc1)([C@H](C)/C=C(C)/C=C/C(=O)NO)CC2=O ZINC000587471846 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)C(=O)OCC)CC2=O ZINC000587471928 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)C(=O)OCC)CC2=O ZINC000587471929 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)c(OC)nc1C)CC2=O ZINC000587471946 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)c(OC)nc1C)CC2=O ZINC000587471947 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCOc1cccc(I)c1)CC2=O ZINC000587471995 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCOc1cccc(I)c1)CC2=O ZINC000587471999 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(I)cc1)CC2=O ZINC000587472050 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(I)cc1)CC2=O ZINC000587472051 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1I)CC2=O ZINC000587472429 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1I)CC2=O ZINC000587472430 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472523 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472524 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(NC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587472545 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(NC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587472546 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c1)CC2=O ZINC000587472555 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c1)CC2=O ZINC000587472556 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C(C)C)ccc2Oc2nc(N)c(C(=O)O)cc21 ZINC000587472576 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C(C)C)ccc2Oc2nc(N)c(C(=O)O)cc21 ZINC000587472577 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(I)c(OC)cc31)CC2=O ZINC000587472636 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(I)c(OC)cc31)CC2=O ZINC000587472637 JJ Annotated Anodyne C#CCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1I ZINC000587472655 JJ Annotated Mild C#CCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1I ZINC000587472656 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472732 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472733 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3nc(C)c([N+](=O)[O-])c3C)c(OC)c1)CC2=O ZINC000587472774 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3nc(C)c([N+](=O)[O-])c3C)c(OC)c1)CC2=O ZINC000587472775 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)CI)cc1)CC2=O ZINC000587472813 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)CI)cc1)CC2=O ZINC000587472814 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(I)c(OC)cc1OC)CC2=O ZINC000587473113 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)c(OC)cc1OC)CC2=O ZINC000587473114 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)cnn1[C@@H]1CCCCO1)CC2=O ZINC000587473271 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)cnn1[C@H]1CCCCO1)CC2=O ZINC000587473272 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(I)cnn1[C@@H]1CCCCO1)CC2=O ZINC000587473273 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(I)cnn1[C@H]1CCCCO1)CC2=O ZINC000587473274 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587473395 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587473396 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1O)CC2=O ZINC000587473615 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1O)CC2=O ZINC000587473616 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587473679 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O ZINC000587473680 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)N3CCC(OC)CC3)c1)CC2=O ZINC000587473721 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)N3CCC(OC)CC3)c1)CC2=O ZINC000587473722 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)nc1)CC2=O ZINC000587473741 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)nc1)CC2=O ZINC000587473743 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N3C(=O)C=CC3=O)cc1)CC2=O ZINC000587474015 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N3C(=O)C=CC3=O)cc1)CC2=O ZINC000587474016 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N1C(=O)c3ccccc3C1=O)CC2=O ZINC000587474183 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N1C(=O)c3ccccc3C1=O)CC2=O ZINC000587474186 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N1C(=O)c3ccccc3C1=O)CC2=O ZINC000587474187 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N1C(=O)c3ccccc3C1=O)CC2=O ZINC000587474188 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)OCC)CC3)c(C#N)c1)CC2=O ZINC000587474272 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)OCC)CC3)c(C#N)c1)CC2=O ZINC000587474276 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)CC[C@@H]1C(=O)OCC)CC2=O ZINC000587474484 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)CC[C@H]1C(=O)OCC)CC2=O ZINC000587474492 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)CC[C@H]1C(=O)OCC)CC2=O ZINC000587474494 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)CC[C@@H]1C(=O)OCC)CC2=O ZINC000587474496 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474636 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474641 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474642 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474643 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)NCc3ccco3)c3ccccc13)CC2=O ZINC000587474680 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)NCc3ccco3)c3ccccc13)CC2=O ZINC000587474681 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)CC2=O ZINC000587474733 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)CC2=O ZINC000587474736 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)CC2=O ZINC000587474737 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)CC2=O ZINC000587474738 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@](CN1CCC(N(C)C)CC1)(c1c[nH]c3ccccc13)CC2=O ZINC000587474906 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCC(N(C)C)CC1)(c1c[nH]c3ccccc13)CC2=O ZINC000587474909 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C/C1=C/N(C)C)CC2=O ZINC000587475163 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C/C1=C\N(C)C)CC2=O ZINC000587475164 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C/C1=C\N(C)C)CC2=O ZINC000587475165 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C/C1=C/N(C)C)CC2=O ZINC000587475166 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o1)CC2=O ZINC000587475174 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o1)CC2=O ZINC000587475178 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccc(N3CCOCC3)cc1O)CC2=O ZINC000587475215 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccc(N3CCOCC3)cc1O)CC2=O ZINC000587475216 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N1CCN(Cc3ccccc3)CC1)CC2=O ZINC000587475463 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1N1CCN(Cc3ccccc3)CC1)CC2=O ZINC000587475464 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1)CC2=O ZINC000587475470 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1)CC2=O ZINC000587475476 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C(N3CCOCC3)Oc3c1ccc1ccccc31)CC2=O ZINC000587475535 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(N3CCOCC3)Oc3c1ccc1ccccc31)CC2=O ZINC000587475536 JJ Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(OC)cc1O)(c1ccc(OC)cc1O)CC2=O ZINC000587475648 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc3c1c(C(=O)OC)cn3C(=O)OC(C)(C)C)CC2=O ZINC000587476941 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc3c1c(C(=O)OC)cn3C(=O)OC(C)(C)C)CC2=O ZINC000587476945 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587477209 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587477210 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587477216 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587477217 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587477218 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587477219 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587477221 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587477222 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1cc3ccccc3cc1OC)([C@@H]1CCCN(C=O)C1=O)CC2=O ZINC000587477467 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc3ccccc3cc1OC)([C@@H]1CCCN(C=O)C1=O)CC2=O ZINC000587477482 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc3ccccc3cc1OC)([C@H]1CCCN(C=O)C1=O)CC2=O ZINC000587477485 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc3ccccc3cc1OC)([C@H]1CCCN(C=O)C1=O)CC2=O ZINC000587477487 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC[C@@]1(C(=O)OCC)CN(Cc1ccccc1)C2 ZINC000587478001 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CC[C@@]1(C(=O)OCC)CN(Cc1ccccc1)C2 ZINC000587478002 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCCCC3)c(OCC)c1)CC2=O ZINC000587478050 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCCCC3)c(OCC)c1)CC2=O ZINC000587478068 JJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)Nc3ccc(C(=O)OCC)cc3)CC1)CC2=O ZINC000587478743 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(-c3cccc(C(=O)O)c3)c1)(c1ccccc1O)CC2=O ZINC000587479125 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(-c3cccc(C(=O)O)c3)c1)(c1ccccc1O)CC2=O ZINC000587479127 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc1)CC2=O ZINC000587479714 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc1)CC2=O ZINC000587479728 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc1)CC2=O ZINC000587479737 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc1)CC2=O ZINC000587479744 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587479844 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587479847 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587479851 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 ZINC000587479855 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccc(OC)cc1 ZINC000587479961 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@H]1c1ccc(OC)cc1 ZINC000587479968 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@@H]1c1ccc(OC)cc1 ZINC000587479970 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(OC)cc2O[C@H]1c1ccc(OC)cc1 ZINC000587479974 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 ZINC000587479995 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 ZINC000587480005 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 ZINC000587480011 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 ZINC000587480016 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3c4c(cccc14)C(=O)N(N)C3=O)CC2=O ZINC000587480017 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3c4c(cccc14)C(=O)N(N)C3=O)CC2=O ZINC000587480035 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C)cc(O)c2C(=O)c2c(O)cc(OC)cc21 ZINC000587480048 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C)cc(O)c2C(=O)c2c(O)cc(OC)cc21 ZINC000587480054 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1[nH]cnc1C(=O)Nc1ccccn1)CC2=O ZINC000587480204 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1[nH]cnc1C(=O)Nc1ccccn1)CC2=O ZINC000587480212 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2cc(OC)cc(O)c21 ZINC000587480740 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2cc(OC)cc(O)c21 ZINC000587480744 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2cc(OC)cc(O)c21 ZINC000587480746 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2cc(OC)cc(O)c21 ZINC000587480752 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc3c(c1)OCO3)(c1ccc3c(c1)OCO3)CC2=O ZINC000587481152 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc3c(c1)OCO3)(c1ccc3c(c1)OCO3)CC2=O ZINC000587481155 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)CC2=O ZINC000587481288 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Br)CC2=O ZINC000587481289 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 ZINC000587481658 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 ZINC000587481667 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 ZINC000587481672 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 ZINC000587481675 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCC(C)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587481725 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCC(C)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587481733 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587482055 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587482058 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1cc(OC)ccc1OC)CC2=O ZINC000587482121 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1cc(OC)ccc1OC)CC2=O ZINC000587482123 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587482237 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587482240 JJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1SCCS(C)(=O)=O)CC2=O ZINC000587482247 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1SCCS(C)(=O)=O)CC2=O ZINC000587482250 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(C(=O)OC)cc(C(=O)OC)c3)o1)CC2=O ZINC000587482946 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(C(=O)OC)cc(C(=O)OC)c3)o1)CC2=O ZINC000587482947 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587483333 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587483348 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1CN(Cc3ccccc3)CCN1C(=O)OC(C)(C)C)CC2=O ZINC000587483543 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CN(Cc3ccccc3)CCN1C(=O)OC(C)(C)C)CC2=O ZINC000587483559 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCCO3)(c1ccccc1C(=O)O)CC2=O ZINC000587483696 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCCO3)(c1ccccc1C(=O)O)CC2=O ZINC000587483700 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)CC2=O ZINC000587483851 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)CC2=O ZINC000587483855 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)CC2=O ZINC000587483942 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)CC2=O ZINC000587483944 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(C)cc2C(=O)c2cc(OC)cc(O)c21 ZINC000587484137 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(C)cc2C(=O)c2cc(OC)cc(O)c21 ZINC000587484141 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCC(C)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587484381 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCC(C)CC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587484382 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(CC(=O)OC)ccc2COc2ccccc21 ZINC000587484516 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(CC(=O)OC)ccc2COc2ccccc21 ZINC000587484519 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cccnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587484976 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3cccnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587484978 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(=O)(=O)c1ccc(C)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587484982 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(=O)(=O)c1ccc(C)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587484986 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587484994 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)CC2=O ZINC000587485000 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587485639 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587485641 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)c(OC)c(O)c21 ZINC000587486646 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)c(OC)c(O)c21 ZINC000587486657 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o1)CC2=O ZINC000587486981 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o1)CC2=O ZINC000587486985 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587487191 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587487205 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587487213 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587487218 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4c(c3)OCCO4)nc3ncccn13)CC2=O ZINC000587487334 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4c(c3)OCCO4)nc3ncccn13)CC2=O ZINC000587487340 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(S(=O)(=O)Cl)cc2CC[C@H]1Cl ZINC000587487396 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl ZINC000587487406 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl ZINC000587487409 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(S(=O)(=O)Cl)cc2CC[C@H]1Cl ZINC000587487412 JJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(CCN(CCC)CCC)c21 ZINC000587488441 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(CCN(CCC)CCC)c21 ZINC000587488443 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(C(C)C)c1)(c1ccccc1O)CC2=O ZINC000587488599 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(C(C)C)c1)(c1ccccc1O)CC2=O ZINC000587488600 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(OC)ccc3OC)nc3ncccn13)CC2=O ZINC000587488837 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(OC)ccc3OC)nc3ncccn13)CC2=O ZINC000587488839 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=NN(Cc3ccccc3C(=O)O)c3ccccc31)CC2=O ZINC000587489145 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=NN(Cc3ccccc3C(=O)O)c3ccccc31)CC2=O ZINC000587489148 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)CC2=O ZINC000587489238 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)CC2=O ZINC000587489242 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)CC2=O ZINC000587489270 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)CC2=O ZINC000587489275 JJ Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587489334 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587489335 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(S(C)(=O)=O)cc1)(c1ccc(C)nc1)CC2=O ZINC000587489750 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(S(C)(=O)=O)cc1)(c1ccc(C)nc1)CC2=O ZINC000587489753 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc1)CC2=O ZINC000587490133 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc1)CC2=O ZINC000587490152 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CSc3nncn3C)c1)CC2=O ZINC000587490442 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CSc3nncn3C)c1)CC2=O ZINC000587490444 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC3=NS(=O)(=O)c4ccccc43)cc1)CC2=O ZINC000587493060 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC3=NS(=O)(=O)c4ccccc43)cc1)CC2=O ZINC000587493063 JJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(COS(=O)(=O)c3ccc(C)cc3)CC1)CC2=O ZINC000587493069 JJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC(=O)CCl)c(C(=O)OCC)c1C)CC2=O ZINC000587493147 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC(=O)CCl)c(C(=O)OCC)c1C)CC2=O ZINC000587493150 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCS(=O)(=O)C3)CC2=O ZINC000587493607 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCS(=O)(=O)C3)CC2=O ZINC000587493610 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1sc(NC(C)=O)c3C(=O)OCC)CC2=O ZINC000587493784 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1sc(NC(C)=O)c3C(=O)OCC)CC2=O ZINC000587493785 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCC(C(=O)OC)CC3)nc1Cl)CC2=O ZINC000587493832 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCC(C(=O)OC)CC3)nc1Cl)CC2=O ZINC000587493836 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ncc(CO)n1C)(c1ccc(Cl)cc1)CC2=O ZINC000587493978 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ncc(CO)n1C)(c1ccc(Cl)cc1)CC2=O ZINC000587493979 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CC2=O ZINC000587494366 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CC2=O ZINC000587494367 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCN(Cc4ccccc4)CC3)s1)CC2=O ZINC000587494404 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCN(Cc4ccccc4)CC3)s1)CC2=O ZINC000587494405 JJ Annotated Anodyne COCCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587494845 JJ Annotated Anodyne COCCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587494852 JJ Annotated Anodyne CCN1N=C(Br)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)OCO3 ZINC000587494955 JJ Annotated Anodyne CCN1N=C(Br)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)OCO3 ZINC000587494960 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495483 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495487 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587495533 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587495543 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587495547 JJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587495548 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587495551 JJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)ccc(Br)c12 ZINC000587495557 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495943 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495951 JJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C=C[C@@]2(Br)[C@H]2C=C(Br)C(=O)[C@H]12 ZINC000587496011 JJ Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C=C[C@@]2(Br)[C@@H]2C=C(Br)C(=O)[C@@H]12 ZINC000587496018 JJ Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C=C[C@@]2(Br)[C@H]2C=C(Br)C(=O)[C@@H]12 ZINC000587496022 JJ Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C=C[C@@]2(Br)[C@@H]2C=C(Br)C(=O)[C@H]12 ZINC000587496026 JJ Annotated Mild COc1cc2c(cc1OC)C(=O)N(C[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)/C(=C\Cl)N2 ZINC000587496133 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)/C(=C/Cl)N2 ZINC000587496144 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)/C(=C/Cl)N2 ZINC000587496150 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)/C(=C\Cl)N2 ZINC000587496154 JJ Annotated Anodyne O=C1C[C@@H](c2ccc(OCCN3CCOCC3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587496155 JJ Annotated Anodyne O=C1C[C@H](c2ccc(OCCN3CCOCC3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587496157 JJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587496270 JJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(C(O)(O)C(F)(F)F)=COc1ccc(Cl)cc12 ZINC000587496271 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]([C@@H](C)Cl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587496332 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]([C@@H](C(=O)OCC)c1nc(C)cs1)([C@@H](C)Cl)CC2=O ZINC000587496333 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]([C@H](C)Cl)([C@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587496334 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]([C@H](C)Cl)([C@@H](C(=O)OCC)c1nc(C)cs1)CC2=O ZINC000587496336 JJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496549 JJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496554 JJ Annotated Reactive N#C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496571 JJ Annotated Reactive O=C1C[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587496606 JJ Annotated Bother O=C1C[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587496614 JJ Annotated Bother N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496723 JJ Annotated Reactive N#C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496725 JJ Annotated Reactive N#C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496727 JJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc3nc(Cl)nc(N4CCOCC4)c3s1)CC2=O ZINC000587496766 JJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3nc(Cl)nc(N4CCOCC4)c3s1)CC2=O ZINC000587496767 JJ Annotated Anodyne O=C1C[C@](CBr)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497065 JJ Annotated Reactive O=C1C[C@@](CBr)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497078 JJ Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587497564 JJ Annotated Reactive CN1C(=O)CCc2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587497582 JJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587498512 JJ Annotated Anodyne C[C@@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498513 JJ Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cc(Br)cc12 ZINC000587498515 JJ Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498518 JJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498521 JJ Annotated Reactive C[C@@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498523 JJ Annotated Reactive C[C@]1(c2nc(Br)cnc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499104 JJ Annotated Anodyne C[C@@]1(c2nc(Br)cnc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499108 JJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(=O)N(C)C ZINC000587499242 JJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(=O)N(C)C ZINC000587499259 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499288 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499290 JJ Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587499372 JJ Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587499377 JJ Annotated Anodyne COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587499627 JJ Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587499628 JJ Annotated Reactive O=C1C[C@H](C(Br)(Br)CBr)Oc2c1ccc1c2CCCC1 ZINC000587499779 JJ Annotated Reactive O=C1C[C@@H](C(Br)(Br)CBr)Oc2c1ccc1c2CCCC1 ZINC000587499785 JJ Annotated Reactive COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587500340 JJ Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587500342 JJ Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587500343 JJ Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587500344 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500633 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500636 JJ Annotated Anodyne CN1CCN(c2cccc(Br)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587500689 JJ Annotated Anodyne CN1CCN(c2cccc(Br)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587500692 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(=O)O ZINC000587500712 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(=O)O ZINC000587500713 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(=O)N(C)C ZINC000587500741 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC(=O)N(C)C ZINC000587500745 JJ Annotated Anodyne CCOC(=O)c1ncn(C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587500747 JJ Annotated Anodyne CCOC(=O)c1ncn(C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587500748 JJ Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 ZINC000587500797 JJ Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 ZINC000587500798 JJ Annotated Anodyne O=C1C[C@](CBr)(c2cccc(N3CCCC3=O)c2)Oc2c1ccc1c2CCCC1 ZINC000587500880 JJ Annotated Reactive O=C1C[C@@](CBr)(c2cccc(N3CCCC3=O)c2)Oc2c1ccc1c2CCCC1 ZINC000587500884 JJ Annotated Reactive O=C1C[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587500921 JJ Annotated Reactive O=C1C[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587500925 JJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587500965 JJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Br)c(Br)cc12 ZINC000587500967 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501008 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501016 JJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC(=O)N(C)C)c1 ZINC000587501019 JJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC(=O)N(C)C)c1 ZINC000587501023 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501631 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501638 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501792 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501793 JJ Annotated Anodyne C[C@H]1Oc2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O ZINC000587501806 JJ Annotated Reactive C[C@@H]1Oc2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O ZINC000587501807 JJ Annotated Reactive C[C@@H]1Oc2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O ZINC000587501808 JJ Annotated Reactive C[C@H]1Oc2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2NC1=O ZINC000587501809 JJ Annotated Reactive O=C1C[C@](CBr)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501822 JJ Annotated Reactive O=C1C[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501823 JJ Annotated Reactive C[C@@]1(c2cnc3[nH]cc(I)c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501854 JJ Annotated Anodyne C[C@]1(c2cnc3[nH]cc(I)c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501858 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502030 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502034 JJ Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502184 JJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502193 JJ Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502196 JJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502199 JJ Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCC2OCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502334 JJ Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCC2OCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502340 JJ Annotated Anodyne CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Br)CC1 ZINC000587502356 JJ Annotated Anodyne CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2Br)CC1 ZINC000587502360 JJ Annotated Anodyne CN1CCN(c2cc(Br)ccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587502493 JJ Annotated Anodyne CN1CCN(c2cc(Br)ccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587502496 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O ZINC000587502506 JJ Annotated Anodyne COc1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O ZINC000587502510 JJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502666 JJ Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502672 JJ Annotated Anodyne C=CCn1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587502962 JJ Annotated Mild C=CCn1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587502963 JJ Annotated Mild O=C(CCl)NC[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503535 JJ Annotated Reactive O=C(CCl)NC[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503545 JJ Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587503759 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587503764 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503805 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503809 JJ Annotated Anodyne C#CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587503827 JJ Annotated Mild C#CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587503843 JJ Annotated Mild COc1ccc(I)c2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503862 JJ Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503865 JJ Annotated Anodyne O=C1C[C@H](c2c(I)cnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587503960 JJ Annotated Anodyne N#Cc1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CC2)c1=O ZINC000587503968 JJ Annotated Mild O=C1C[C@@H](c2c(I)cnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587503970 JJ Annotated Anodyne N#Cc1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CC2)c1=O ZINC000587503971 JJ Annotated Mild O=C1C[C@@H](c2c(I)cnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587503974 JJ Annotated Anodyne O=C1C[C@H](c2c(I)cnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587503978 JJ Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504325 JJ Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504326 JJ Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504327 JJ Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504328 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505356 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505359 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505678 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505682 JJ Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506128 JJ Annotated Anodyne COc1cc2c(cc1I)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506129 JJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N(CC)CC ZINC000587506190 JJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N(CC)CC ZINC000587506196 JJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506235 JJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506245 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506426 JJ Annotated Anodyne COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506530 JJ Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506549 JJ Annotated Reactive O=C1C[C@](CN2CCOCC2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506622 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506937 JJ Annotated Anodyne O=C1C[C@@](CN2CCOCC2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506944 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506960 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506963 JJ Annotated Anodyne C[C@@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506994 JJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506997 JJ Annotated Anodyne O=C1C[C@@H](c2c3ccnc-3[nH]c(I)c2F)Oc2c1ccc1c2CCCC1 ZINC000587506999 JJ Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507000 JJ Annotated Anodyne C[C@@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507001 JJ Annotated Anodyne O=C1C[C@H](c2c3ccnc-3[nH]c(I)c2F)Oc2c1ccc1c2CCCC1 ZINC000587507002 JJ Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507167 JJ Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507168 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(I)c1O ZINC000587507497 JJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(I)c1O ZINC000587507500 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1O ZINC000587507587 JJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1O ZINC000587507590 JJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1O ZINC000587508201 JJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1O ZINC000587508203 JJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)OCC ZINC000587508299 JJ Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)OCC ZINC000587508303 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1I ZINC000587508433 JJ Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1I ZINC000587508439 JJ Annotated Bother O=C1C[C@H](c2cc(I)nc3c2OCCC3)Oc2c1ccc1c2CCCC1 ZINC000587508635 JJ Annotated Anodyne O=C1C[C@@H](c2cc(I)nc3c2OCCC3)Oc2c1ccc1c2CCCC1 ZINC000587508646 JJ Annotated Anodyne O=Cc1cc([C@@]2(CN3CCC(C(F)(F)F)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587508982 JJ Annotated Anodyne O=Cc1cc([C@]2(CN3CCC(C(F)(F)F)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587508983 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587509036 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587509039 JJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509209 JJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509212 JJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509217 JJ Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509219 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509233 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509243 JJ Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509282 JJ Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509285 JJ Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OC ZINC000587509318 JJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OC ZINC000587509320 JJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509438 JJ Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509440 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509443 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(CCCCC2OCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509447 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510044 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510045 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 ZINC000587510282 JJ Annotated Bother CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 ZINC000587510286 JJ Annotated Bother O=C1C[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587510548 JJ Annotated Bother O=C1C[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587510549 JJ Annotated Bother C[C@]1(c2ccc(NC(=O)CI)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510827 JJ Annotated Reactive C[C@@]1(c2ccc(NC(=O)CI)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510829 JJ Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587511226 JJ Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587511229 JJ Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1C(N)=O ZINC000587511309 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1C(N)=O ZINC000587511312 JJ Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587511525 JJ Annotated Bother Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587512333 JJ Annotated Clean Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587512341 JJ Annotated Clean Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587512345 JJ Annotated Clean Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587512348 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C#N)CC1 ZINC000587512485 JJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C#N)CC1 ZINC000587512502 JJ Annotated Mild CC(C)(C)OC(=O)NCCNC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512670 JJ Annotated Anodyne CC(C)(C)OC(=O)NCCNC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512672 JJ Annotated Anodyne O=C1C[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587513094 JJ Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587513101 JJ Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587513113 JJ Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587513115 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513271 JJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513273 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513274 JJ Annotated Anodyne CCOC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513277 JJ Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587513812 JJ Annotated Bother COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513820 JJ Annotated Anodyne COc1cc2ccccc2cc1[C@@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513823 JJ Annotated Anodyne COc1cc2ccccc2cc1[C@@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513825 JJ Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513828 JJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513968 JJ Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513969 JJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587514385 JJ Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587514389 JJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587514419 JJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] ZINC000587514424 JJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514432 JJ Annotated Bother CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514433 JJ Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587514450 JJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587514451 JJ Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587514532 JJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 ZINC000587514533 JJ Annotated Bother CCOC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514895 JJ Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514896 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514898 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514900 JJ Annotated Anodyne C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514923 JJ Annotated Mild C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514924 JJ Annotated Mild CN(C)C1CCN(C[C@@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515496 JJ Annotated Anodyne CN(C)C1CCN(C[C@]2(c3c[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515500 JJ Annotated Anodyne O=C1C[C@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587515879 JJ Annotated Anodyne O=C1C[C@@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587515880 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)CC1 ZINC000587515898 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)CC1 ZINC000587515901 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)N1C(=O)OC(C)(C)C ZINC000587516203 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)N1C(=O)OC(C)(C)C ZINC000587516206 JJ Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516343 JJ Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516348 JJ Annotated Mild COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516577 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516582 JJ Annotated Anodyne O=C1C[C@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517658 JJ Annotated Anodyne O=C1C[C@@H](c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517659 JJ Annotated Anodyne Nc1ccccc1[C@@]1(CCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517690 JJ Annotated Anodyne Nc1ccccc1[C@]1(CCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517691 JJ Annotated Anodyne COC(=O)C1C[C@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000587518408 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518490 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518491 JJ Annotated Anodyne N#Cc1cc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CC2)c1=O ZINC000587518550 JJ Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CC2)c1=O ZINC000587518551 JJ Annotated Mild CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518554 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518555 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587518570 JJ Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587518571 JJ Annotated Anodyne CC(C)n1cc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587518574 JJ Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C#N)c1=O ZINC000587518575 JJ Annotated Mild CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518686 JJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518687 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C)cc(O)c1C2=O ZINC000587521476 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C)cc(O)c1C2=O ZINC000587521486 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521582 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2[nH]c(C)c(C(=O)OCC)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521596 JJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523475 JJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523477 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCC(C)CC3)nc12 ZINC000587523767 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCC(C)CC3)nc12 ZINC000587523778 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587525511 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587525513 JJ Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587525617 JJ Annotated Anodyne O=C1C[C@](c2ccccc2)(c2[nH]cnc2C(=O)Nc2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587525645 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528010 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528013 JJ Annotated Anodyne O=C1COc2ccc([C@@]3(c4ccccc4C(=O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 ZINC000587528291 JJ Annotated Anodyne O=C1COc2ccc([C@]3(c4ccccc4C(=O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 ZINC000587528292 JJ Annotated Anodyne O=C(O)c1cc(C(=O)O)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587528584 JJ Annotated Anodyne O=C(O)c1cc(C(=O)O)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587528585 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc(C(=O)O)ccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529306 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc(C(=O)O)ccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529307 JJ Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529347 JJ Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529348 JJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587529510 JJ Annotated Unstable O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587529524 JJ Annotated Unstable O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587529525 JJ Annotated Unstable O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587529526 JJ Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530051 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530059 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530074 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530077 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530079 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530082 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530274 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530278 JJ Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530569 JJ Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530578 JJ Annotated Anodyne O=C1C[C@@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587531105 JJ Annotated Anodyne O=C1C[C@](CSc2nnnn2-c2ccccc2)(c2ccc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587531107 JJ Annotated Anodyne COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531124 JJ Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531133 JJ Annotated Clean CN(C)S(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587531142 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587531143 JJ Annotated Anodyne C[C@]1([C@H](O)[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531240 JJ Annotated Anodyne C[C@]1([C@H](O)[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531242 JJ Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531243 JJ Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531245 JJ Annotated Anodyne O=C1C[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531758 JJ Annotated Unstable O=C1C[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531763 JJ Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532466 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532467 JJ Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587532528 JJ Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587532531 JJ Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587532855 JJ Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587532857 JJ Annotated Reactive O=C1C[C@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)Oc2c1ccc1c2CCCC1 ZINC000587533306 JJ Annotated Anodyne O=C1C[C@@H](c2ccc(OC3=NS(=O)(=O)c4ccccc43)cc2)Oc2c1ccc1c2CCCC1 ZINC000587533312 JJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533348 JJ Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533353 JJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533465 JJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533466 JJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533467 JJ Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533468 JJ Annotated Anodyne O=C1C[C@@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587533796 JJ Annotated Anodyne O=C1C[C@H](c2cc3cccnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587533799 JJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587533898 JJ Annotated Anodyne CCOC(=O)N1CCN([C@@H](C)[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587533899 JJ Annotated Anodyne CCOC(=O)N1CCN([C@@H](C)[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587533900 JJ Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587533901 JJ Annotated Anodyne COc1c(O)cc2c(c1O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(c1ccc(O)cc1)=CO2 ZINC000587534258 JJ Annotated Anodyne COc1c(O)cc2c(c1O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(c1ccc(O)cc1)=CO2 ZINC000587534261 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587534276 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587534277 JJ Annotated Anodyne O=C1CC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587534289 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587534435 JJ Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587534442 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587534445 JJ Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587534447 JJ Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587534470 JJ Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587534483 JJ Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534737 JJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534744 JJ Annotated Anodyne O=C1C[C@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587534870 JJ Annotated Anodyne O=C1C[C@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587534871 JJ Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)OCO3)([C@H](O)c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587534872 JJ Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)OCO3)([C@@H](O)c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587534873 JJ Annotated Anodyne O=C1C[C@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)Oc2c1ccc1c2CCCC1 ZINC000587535017 JJ Annotated Anodyne O=C1C[C@@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)Oc2c1ccc1c2CCCC1 ZINC000587535019 JJ Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535679 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535680 JJ Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535681 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535682 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535742 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535743 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535744 JJ Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535747 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535884 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535885 JJ Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536099 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536100 JJ Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536101 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536103 JJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1 ZINC000587536132 JJ Annotated Anodyne COC(=O)C1CCN(c2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1 ZINC000587536133 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587536504 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587536505 JJ Annotated Clean Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587536506 JJ Annotated Clean Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587536507 JJ Annotated Clean O=C1C[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587536563 JJ Annotated Anodyne O=C1C[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587536565 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587536707 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587536710 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587536711 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587536712 JJ Annotated Anodyne Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587537166 JJ Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587537167 JJ Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587537168 JJ Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587537169 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc([N+](=O)[O-])c1 ZINC000587537215 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc([N+](=O)[O-])c1 ZINC000587537216 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc([N+](=O)[O-])c1 ZINC000587537217 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc([N+](=O)[O-])c1 ZINC000587537218 JJ Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537278 JJ Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537279 JJ Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537280 JJ Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537282 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCCO2 ZINC000587537304 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)OCCCO2 ZINC000587537306 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCCO2 ZINC000587537307 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)OCCCO2 ZINC000587537309 JJ Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c(OC)c1OC ZINC000587537438 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c(OC)c1OC ZINC000587537439 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c(OC)c1OC ZINC000587537440 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c(OC)c1OC ZINC000587537441 JJ Annotated Anodyne C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537551 JJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537552 JJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537553 JJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537554 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537633 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537634 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537635 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537636 JJ Annotated Reactive COC(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537655 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537656 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537657 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537658 JJ Annotated Anodyne C#CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537667 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537668 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537669 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537670 JJ Annotated Mild COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587537687 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587537688 JJ Annotated Anodyne COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587537689 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587537690 JJ Annotated Anodyne COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537699 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537700 JJ Annotated Anodyne COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537701 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537702 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c[nH]c2ncccc12 ZINC000587537736 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c[nH]c2ncccc12 ZINC000587537740 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c[nH]c2ncccc12 ZINC000587537742 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c[nH]c2ncccc12 ZINC000587537743 JJ Annotated Reactive COc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1OC ZINC000587537797 JJ Annotated Anodyne COc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1OC ZINC000587537798 JJ Annotated Anodyne COc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1OC ZINC000587537799 JJ Annotated Anodyne COc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1OC ZINC000587537800 JJ Annotated Anodyne C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537851 JJ Annotated Reactive C[C@H](Br)C1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537852 JJ Annotated Reactive C[C@H](Br)[C@@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537854 JJ Annotated Reactive C[C@H](Br)C1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537855 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1N1CCOCC1 ZINC000587537862 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1N1CCOCC1 ZINC000587537863 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1N1CCOCC1 ZINC000587537864 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1N1CCOCC1 ZINC000587537865 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587537882 JJ Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587537883 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587537884 JJ Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587537885 JJ Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587537904 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587537905 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587537906 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587537907 JJ Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537957 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537959 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537960 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC ZINC000587537961 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537992 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537996 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537997 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537998 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCBr ZINC000587538036 JJ Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCBr ZINC000587538037 JJ Annotated Reactive COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCBr ZINC000587538038 JJ Annotated Reactive COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCBr ZINC000587538039 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587538046 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587538047 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587538048 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587538049 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587538056 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587538057 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587538058 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587538059 JJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538082 JJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538083 JJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538084 JJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538085 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1 ZINC000587538104 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1 ZINC000587538105 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1 ZINC000587538106 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1 ZINC000587538107 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538146 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538147 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538148 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538149 JJ Annotated Reactive COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538151 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538152 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538153 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538154 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587538155 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587538156 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587538157 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587538158 JJ Annotated Anodyne C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538163 JJ Annotated Bother C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538164 JJ Annotated Bother C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538165 JJ Annotated Bother C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538166 JJ Annotated Bother CCOC(=O)COc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538167 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538168 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538169 JJ Annotated Anodyne CCOC(=O)COc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538170 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Br ZINC000587538183 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Br ZINC000587538184 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Br ZINC000587538185 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Br ZINC000587538186 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCO ZINC000587538231 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCO ZINC000587538232 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCO ZINC000587538233 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCO ZINC000587538234 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cncnc1 ZINC000587538379 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cncnc1 ZINC000587538380 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cncnc1 ZINC000587538381 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cncnc1 ZINC000587538382 JJ Annotated Anodyne CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538383 JJ Annotated Anodyne CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538384 JJ Annotated Anodyne CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538385 JJ Annotated Anodyne CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587538386 JJ Annotated Anodyne CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538444 JJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538445 JJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538447 JJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538449 JJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538515 JJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538517 JJ Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538519 JJ Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538520 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc(Br)ccc1NC21CC1 ZINC000587538553 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc(Br)ccc1NC21CC1 ZINC000587538558 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc(Br)ccc1NC21CC1 ZINC000587538559 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc(Br)ccc1NC21CC1 ZINC000587538561 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCO2 ZINC000587538678 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2c(c1)CCO2 ZINC000587538683 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCO2 ZINC000587538687 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2c(c1)CCO2 ZINC000587538692 JJ Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCC#N ZINC000587538702 JJ Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCC#N ZINC000587538706 JJ Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCC#N ZINC000587538709 JJ Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCC#N ZINC000587538710 JJ Annotated Mild C[C@]1(c2cc(Br)cc3nc(N)oc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538729 JJ Annotated Anodyne C[C@@]1(c2cc(Br)cc3nc(N)oc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538732 JJ Annotated Anodyne C[C@]1(c2cc(Br)cc3nc(N)oc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538734 JJ Annotated Anodyne C[C@@]1(c2cc(Br)cc3nc(N)oc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538736 JJ Annotated Anodyne CCOc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587538790 JJ Annotated Anodyne CCOc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587538791 JJ Annotated Anodyne CCOc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587538793 JJ Annotated Anodyne CCOc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587538795 JJ Annotated Anodyne C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538839 JJ Annotated Mild C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538841 JJ Annotated Mild C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538843 JJ Annotated Mild C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538845 JJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnn(-c2ccccc2)c1 ZINC000587538869 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnn(-c2ccccc2)c1 ZINC000587538871 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnn(-c2ccccc2)c1 ZINC000587538874 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnn(-c2ccccc2)c1 ZINC000587538876 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1N1CCOCC1 ZINC000587538885 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1N1CCOCC1 ZINC000587538886 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1N1CCOCC1 ZINC000587538887 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1N1CCOCC1 ZINC000587538888 JJ Annotated Anodyne C[C@]1(c2cc3c(cc2Br)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538910 JJ Annotated Anodyne C[C@]1(c2cc3c(cc2Br)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538911 JJ Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538912 JJ Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538913 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c(Br)c1Br ZINC000587538926 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c(Br)c1Br ZINC000587538928 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c(Br)c1Br ZINC000587538930 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c(Br)c1Br ZINC000587538931 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538934 JJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538940 JJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538951 JJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538952 JJ Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538959 JJ Annotated Reactive COc1ccc(C)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538960 JJ Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538961 JJ Annotated Reactive COc1ccc(C)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538962 JJ Annotated Reactive CC(C)(Br)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539018 JJ Annotated Reactive CC(C)(Br)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539019 JJ Annotated Reactive CC(C)(Br)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539020 JJ Annotated Reactive CC(C)(Br)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539021 JJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539036 JJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539037 JJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539038 JJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539039 JJ Annotated Reactive Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1cccc(Br)c1 ZINC000587539055 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1cccc(Br)c1 ZINC000587539056 JJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1cccc(Br)c1 ZINC000587539057 JJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1cccc(Br)c1 ZINC000587539058 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1N1CCOCC1 ZINC000587539079 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1N1CCOCC1 ZINC000587539080 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1N1CCOCC1 ZINC000587539081 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1N1CCOCC1 ZINC000587539082 JJ Annotated Anodyne COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587539099 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587539100 JJ Annotated Anodyne COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587539101 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587539102 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539135 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539136 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539137 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539139 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587539177 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587539178 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587539179 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587539180 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(N2CCCC2=O)c1 ZINC000587539263 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(N2CCCC2=O)c1 ZINC000587539265 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(N2CCCC2=O)c1 ZINC000587539267 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(N2CCCC2=O)c1 ZINC000587539269 JJ Annotated Reactive C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539281 JJ Annotated Reactive C[C@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539283 JJ Annotated Reactive C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539285 JJ Annotated Reactive C[C@@]1(c2cccc(NC(=O)CBr)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539287 JJ Annotated Reactive O=C1CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587539330 JJ Annotated Reactive O=C1CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587539331 JJ Annotated Reactive O=C1CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587539332 JJ Annotated Reactive O=C1CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587539333 JJ Annotated Reactive C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539365 JJ Annotated Bother C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539366 JJ Annotated Bother C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539367 JJ Annotated Bother C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539368 JJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587539369 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587539376 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587539377 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OC(C)=O ZINC000587539378 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587539393 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587539395 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587539396 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587539398 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCC1OCCO1 ZINC000587539448 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCC1OCCO1 ZINC000587539452 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCC1OCCO1 ZINC000587539454 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCC1OCCO1 ZINC000587539456 JJ Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Br)CC1 ZINC000587539501 JJ Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Br)CC1 ZINC000587539502 JJ Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Br)CC1 ZINC000587539503 JJ Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Br)CC1 ZINC000587539504 JJ Annotated Anodyne COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587539524 JJ Annotated Reactive COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587539525 JJ Annotated Reactive COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587539526 JJ Annotated Reactive COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587539527 JJ Annotated Reactive Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539635 JJ Annotated Anodyne Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539636 JJ Annotated Anodyne Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539637 JJ Annotated Anodyne Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539638 JJ Annotated Anodyne CN1C(=O)CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587539674 JJ Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587539675 JJ Annotated Reactive CN1C(=O)CCc2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587539676 JJ Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587539677 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1[N+](=O)[O-] ZINC000587539706 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1[N+](=O)[O-] ZINC000587539707 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1[N+](=O)[O-] ZINC000587539708 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1[N+](=O)[O-] ZINC000587539709 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539718 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539719 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539720 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539721 JJ Annotated Reactive CN(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539736 JJ Annotated Reactive CN(C)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539738 JJ Annotated Reactive CN(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539741 JJ Annotated Reactive CN(C)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539743 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2=O)cc1 ZINC000587539882 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2=O)cc1 ZINC000587539884 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N2CCCC2=O)cc1 ZINC000587539885 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N2CCCC2=O)cc1 ZINC000587539886 JJ Annotated Reactive COC(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539994 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539995 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539996 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539997 JJ Annotated Anodyne COc1ccc(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540051 JJ Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540052 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540053 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540054 JJ Annotated Reactive C[C@]1(CC(=O)Nc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540090 JJ Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540091 JJ Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540092 JJ Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540093 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540094 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540095 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540096 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540097 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1Br ZINC000587540114 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1Br ZINC000587540115 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1Br ZINC000587540116 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1Br ZINC000587540117 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540120 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540121 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540122 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540123 JJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540132 JJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540133 JJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540134 JJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540135 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540136 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540137 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540138 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540139 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(C)=O ZINC000587540265 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(C)=O ZINC000587540266 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(C)=O ZINC000587540267 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(C)=O ZINC000587540268 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587540313 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587540314 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587540315 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587540316 JJ Annotated Anodyne COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540409 JJ Annotated Anodyne COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540410 JJ Annotated Anodyne COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540411 JJ Annotated Anodyne COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540412 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1cccc(Br)c1)C2 ZINC000587540413 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1cccc(Br)c1)C2 ZINC000587540414 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnn1[C@H]1CCCCO1 ZINC000587540415 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnn1[C@H]1CCCCO1 ZINC000587540416 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnn1[C@@H]1CCCCO1 ZINC000587540417 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnn1[C@@H]1CCCCO1 ZINC000587540418 JJ Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540500 JJ Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540501 JJ Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540503 JJ Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540505 JJ Annotated Anodyne C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540519 JJ Annotated Bother C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540522 JJ Annotated Bother C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540524 JJ Annotated Bother C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540526 JJ Annotated Bother CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587540561 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540574 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540575 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540576 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540577 JJ Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587540580 JJ Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587540582 JJ Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587540584 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540669 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540671 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540672 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540673 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587540869 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587540870 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587540871 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587540872 JJ Annotated Anodyne CN1CCN(c2cccc(Br)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587540873 JJ Annotated Anodyne CN1CCN(c2cccc(Br)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587540874 JJ Annotated Anodyne CN1CCN(c2cccc(Br)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587540875 JJ Annotated Anodyne CN1CCN(c2cccc(Br)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587540876 JJ Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540962 JJ Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540964 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540966 JJ Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540968 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540978 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540980 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540981 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540982 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c(Br)c1 ZINC000587541065 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c(Br)c1 ZINC000587541066 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c(Br)c1 ZINC000587541067 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c(Br)c1 ZINC000587541068 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541085 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541086 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541087 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541088 JJ Annotated Anodyne C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541097 JJ Annotated Bother C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541098 JJ Annotated Bother C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541099 JJ Annotated Bother C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541100 JJ Annotated Bother COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587541167 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587541168 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587541169 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587541170 JJ Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541299 JJ Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541300 JJ Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541301 JJ Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541302 JJ Annotated Reactive CCOC(=O)[C@]1(c2ccc(OC)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541393 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541394 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541395 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541396 JJ Annotated Anodyne CN(C)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541397 JJ Annotated Anodyne CN(C)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541398 JJ Annotated Anodyne CN(C)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541399 JJ Annotated Anodyne CN(C)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541400 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541455 JJ Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541456 JJ Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541457 JJ Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541458 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587541471 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587541472 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587541473 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587541474 JJ Annotated Reactive Cc1ccn2c(Br)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 ZINC000587541503 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 ZINC000587541505 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 ZINC000587541506 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 ZINC000587541508 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541619 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541620 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541621 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541622 JJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587541732 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587541733 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587541734 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587541735 JJ Annotated Reactive CCOC(=O)[C@]1(c2cc(Br)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541793 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541794 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541795 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541796 JJ Annotated Anodyne COc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587541821 JJ Annotated Anodyne COc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587541822 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587541823 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587541824 JJ Annotated Anodyne Cc1cccc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Br)n12 ZINC000587542067 JJ Annotated Anodyne Cc1cccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Br)n12 ZINC000587542069 JJ Annotated Anodyne Cc1cccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Br)n12 ZINC000587542071 JJ Annotated Anodyne Cc1cccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Br)n12 ZINC000587542073 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542124 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542125 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542126 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542127 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542148 JJ Annotated Reactive COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542154 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542155 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542156 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542157 JJ Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542166 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542167 JJ Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542168 JJ Annotated Reactive CN(C)/C=C\c1nc(O)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542169 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542170 JJ Annotated Reactive CN(C)/C=C/c1nc(O)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542171 JJ Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542173 JJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587542186 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587542190 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587542192 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587542195 JJ Annotated Reactive Cc1nc2ccc(Br)cn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542387 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542389 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542391 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542393 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1Br ZINC000587542410 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1Br ZINC000587542411 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1Br ZINC000587542412 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1Br ZINC000587542413 JJ Annotated Anodyne C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542434 JJ Annotated Bother C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542436 JJ Annotated Bother C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542437 JJ Annotated Bother C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542439 JJ Annotated Bother C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br)C(=O)O ZINC000587542455 JJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br)C(=O)O ZINC000587542456 JJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br)C(=O)O ZINC000587542458 JJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br)C(=O)O ZINC000587542459 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1Br ZINC000587542478 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1Br ZINC000587542479 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1Br ZINC000587542480 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1Br ZINC000587542481 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542502 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542503 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542504 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542505 JJ Annotated Anodyne COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587542570 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587542575 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587542576 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587542577 JJ Annotated Reactive C[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542641 JJ Annotated Anodyne C[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542643 JJ Annotated Anodyne C[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542644 JJ Annotated Anodyne C[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542645 JJ Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542732 JJ Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542749 JJ Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542754 JJ Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542757 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542769 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542787 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542789 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542792 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(c1cccc(Br)c1)C2 ZINC000587542873 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(c1cccc(Br)c1)C2 ZINC000587542875 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(c1cccc(Br)c1)C2 ZINC000587542877 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(c1cccc(Br)c1)C2 ZINC000587542879 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542880 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542889 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542891 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542894 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1ccccc1Br ZINC000587542909 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1ccccc1Br ZINC000587542941 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1ccccc1Br ZINC000587542943 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1ccccc1Br ZINC000587542945 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542948 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542950 JJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587542951 JJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587542960 JJ Annotated Anodyne CN1CCN(c2cc(Br)ccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587542988 JJ Annotated Anodyne CN1CCN(c2cc(Br)ccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587542989 JJ Annotated Anodyne CN1CCN(c2cc(Br)ccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587542992 JJ Annotated Anodyne CN1CCN(c2cc(Br)ccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587542994 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587543229 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587543230 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587543267 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587543269 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587543270 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587543271 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587543273 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587543274 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000587543409 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000587543412 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000587543416 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000587543418 JJ Annotated Anodyne COCCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587543476 JJ Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587543485 JJ Annotated Reactive COCCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587543491 JJ Annotated Reactive COCCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587543495 JJ Annotated Reactive COc1ccc(Cl)cc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543498 JJ Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543502 JJ Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543505 JJ Annotated Anodyne COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543507 JJ Annotated Anodyne CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543551 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543558 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543560 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543563 JJ Annotated Reactive CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543609 JJ Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543615 JJ Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543619 JJ Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543622 JJ Annotated Mild CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587543838 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587543839 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587543840 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587543841 JJ Annotated Reactive Cc1cc(Br)c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587543866 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587543867 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587543868 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587543869 JJ Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544017 JJ Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544018 JJ Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544019 JJ Annotated Anodyne COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544020 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000587544195 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000587544196 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000587544198 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000587544200 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587544202 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587544204 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587544206 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587544208 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587544225 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587544226 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587544228 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587544229 JJ Annotated Anodyne CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544297 JJ Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544305 JJ Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544309 JJ Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544311 JJ Annotated Reactive COC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544394 JJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544395 JJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544396 JJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544397 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ncccc1C(F)(F)F)CC2 ZINC000587544416 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ncccc1C(F)(F)F)CC2 ZINC000587544422 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587544518 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587544535 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587544536 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587544537 JJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544586 JJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544591 JJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544594 JJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544597 JJ Annotated Anodyne C[C@]1([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544620 JJ Annotated Mild C[C@]1([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544633 JJ Annotated Mild C[C@]1([C@@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544635 JJ Annotated Mild C[C@]1([C@H](C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544636 JJ Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544780 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544781 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544782 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544783 JJ Annotated Anodyne CC(=O)NCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544887 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544890 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544892 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544893 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ncc[nH]1 ZINC000587544899 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ncc[nH]1 ZINC000587544904 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ncc[nH]1 ZINC000587544906 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ncc[nH]1 ZINC000587544908 JJ Annotated Anodyne COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544958 JJ Annotated Reactive COc1cc2occ(O)c2cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544961 JJ Annotated Reactive C[C@]1(CC(=O)Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544962 JJ Annotated Anodyne COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544963 JJ Annotated Reactive C[C@]1(CC(=O)Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544964 JJ Annotated Anodyne COc1cc2occ(O)c2cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544965 JJ Annotated Reactive C[C@@]1(CC(=O)Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544966 JJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544967 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545095 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545099 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545100 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545102 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](Br)C2 ZINC000587545241 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](Br)C2 ZINC000587545259 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](Br)C2 ZINC000587545261 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](Br)C2 ZINC000587545264 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@H]1C ZINC000587545268 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@@H]1C ZINC000587545275 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@H]1C ZINC000587545278 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@@H]1C ZINC000587545280 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587545376 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587545379 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587545380 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587545381 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545399 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545400 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545402 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545404 JJ Annotated Reactive COc1cc2c(cc1Br)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545474 JJ Annotated Anodyne COc1cc2c(cc1Br)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545475 JJ Annotated Anodyne COc1cc2c(cc1Br)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545476 JJ Annotated Anodyne COc1cc2c(cc1Br)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545477 JJ Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545595 JJ Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545599 JJ Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545601 JJ Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545603 JJ Annotated Anodyne CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545767 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545770 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000587545775 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000587545776 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000587545778 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000587545779 JJ Annotated Anodyne CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545900 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545901 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587545938 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587545939 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587545940 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587545941 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)c([N+](=O)[O-])cc12 ZINC000587545987 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)c([N+](=O)[O-])cc12 ZINC000587545988 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)c([N+](=O)[O-])cc12 ZINC000587545989 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)c([N+](=O)[O-])cc12 ZINC000587545990 JJ Annotated Bother CCOC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546065 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546067 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546068 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546072 JJ Annotated Anodyne N#CC1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587546091 JJ Annotated Reactive N#CC1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587546097 JJ Annotated Reactive N#CC1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587546099 JJ Annotated Reactive N#CC1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587546100 JJ Annotated Reactive Cc1cc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2cc1Br ZINC000587546231 JJ Annotated Anodyne Cc1cc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2cc1Br ZINC000587546233 JJ Annotated Anodyne Cc1cc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2cc1Br ZINC000587546235 JJ Annotated Anodyne Cc1cc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2cc1Br ZINC000587546237 JJ Annotated Anodyne COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546254 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546257 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546259 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546260 JJ Annotated Reactive CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546424 JJ Annotated Anodyne CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546428 JJ Annotated Anodyne CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546429 JJ Annotated Anodyne CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546431 JJ Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Cl ZINC000587546479 JJ Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Cl ZINC000587546480 JJ Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Cl ZINC000587546481 JJ Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Cl ZINC000587546482 JJ Annotated Anodyne C[C@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546561 JJ Annotated Mild C[C@@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546563 JJ Annotated Mild Cn1nc2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546564 JJ Annotated Anodyne C[C@@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546565 JJ Annotated Mild Cn1nc2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546566 JJ Annotated Anodyne C[C@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546567 JJ Annotated Mild Cn1nc2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546568 JJ Annotated Anodyne Cn1nc2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546570 JJ Annotated Anodyne COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587546578 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587546584 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587546586 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587546588 JJ Annotated Reactive COc1ccc(Br)c2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546638 JJ Annotated Anodyne COc1ccc(Br)c2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546640 JJ Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546641 JJ Annotated Anodyne COc1ccc(Br)c2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546644 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OC=C2OCc1ccccc1Cl ZINC000587546692 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OC=C2OCc1ccccc1Cl ZINC000587546698 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OC=C2OCc1ccccc1Cl ZINC000587546700 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OC=C2OCc1ccccc1Cl ZINC000587546701 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546864 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546866 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546868 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546870 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546951 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546957 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546960 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546962 JJ Annotated Anodyne CCN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587546975 JJ Annotated Anodyne CCN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587546980 JJ Annotated Anodyne CCN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587546981 JJ Annotated Anodyne CCN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2)CC1 ZINC000587546982 JJ Annotated Anodyne Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547073 JJ Annotated Bother Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547081 JJ Annotated Bother Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547083 JJ Annotated Bother Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547084 JJ Annotated Bother Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 ZINC000587547199 JJ Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 ZINC000587547206 JJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 ZINC000587547209 JJ Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccon1 ZINC000587547212 JJ Annotated Reactive COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547463 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547464 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547465 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547466 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)N(C)C ZINC000587547502 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)N(C)C ZINC000587547506 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)N(C)C ZINC000587547508 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC(=O)N(C)C ZINC000587547510 JJ Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547541 JJ Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547544 JJ Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547546 JJ Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547549 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547613 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547615 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547616 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547617 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587547683 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587547685 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547687 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587547688 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587547689 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547690 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547693 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2 ZINC000587547695 JJ Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547709 JJ Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547710 JJ Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547711 JJ Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547712 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000587547738 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000587547739 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000587547740 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000587547741 JJ Annotated Anodyne C[C@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547754 JJ Annotated Anodyne C[C@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547755 JJ Annotated Anodyne C[C@@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547756 JJ Annotated Anodyne C[C@@]1(c2c[nH]c3ccc(Br)cc3c2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547757 JJ Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)cc(Br)c21 ZINC000587547770 JJ Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)cc(Br)c21 ZINC000587547771 JJ Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)cc(Br)c21 ZINC000587547772 JJ Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)cc(Br)c21 ZINC000587547773 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587547850 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587547852 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587547854 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587547856 JJ Annotated Anodyne CN1CCN(c2cccc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587547891 JJ Annotated Anodyne CN1CCN(c2cccc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587547893 JJ Annotated Anodyne CN1CCN(c2cccc(Cl)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587547894 JJ Annotated Anodyne CN1CCN(c2cccc(Cl)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587547897 JJ Annotated Anodyne CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547925 JJ Annotated Anodyne CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547933 JJ Annotated Anodyne C[C@@]1(c2c[nH]c3ncc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548063 JJ Annotated Anodyne C[C@@]1(c2c[nH]c3ncc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548072 JJ Annotated Anodyne C[C@]1(c2c[nH]c3ncc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548074 JJ Annotated Anodyne C[C@]1(c2c[nH]c3ncc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548076 JJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1Cc1ccc(Cl)cc1 ZINC000587548266 JJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1Cc1ccc(Cl)cc1 ZINC000587548267 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1Cc1ccc(Cl)cc1 ZINC000587548268 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1Cc1ccc(Cl)cc1 ZINC000587548270 JJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548304 JJ Annotated Bother C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548314 JJ Annotated Bother C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548316 JJ Annotated Bother C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548318 JJ Annotated Bother COc1ccc2c(c1Br)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548391 JJ Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548392 JJ Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548393 JJ Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548394 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Br)[nH]1 ZINC000587548399 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Br)[nH]1 ZINC000587548400 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Br)[nH]1 ZINC000587548401 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Br)[nH]1 ZINC000587548402 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548476 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548479 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548480 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548482 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548483 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548485 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548486 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548488 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c([N+](=O)[O-])cc(Br)cc12 ZINC000587548529 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c([N+](=O)[O-])cc(Br)cc12 ZINC000587548546 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c([N+](=O)[O-])cc(Br)cc12 ZINC000587548549 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c([N+](=O)[O-])cc(Br)cc12 ZINC000587548553 JJ Annotated Bother COc1ccc2c(c1Br)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548716 JJ Annotated Anodyne COc1ccc2c(c1Br)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548718 JJ Annotated Anodyne COc1ccc2c(c1Br)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548719 JJ Annotated Anodyne COc1ccc2c(c1Br)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548720 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548754 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548759 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548763 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548767 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(Br)cc2c1=O ZINC000587548962 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(Br)cc2c1=O ZINC000587548969 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(Br)cc2c1=O ZINC000587548972 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(Br)cc2c1=O ZINC000587548975 JJ Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549233 JJ Annotated Bother C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549234 JJ Annotated Bother C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549235 JJ Annotated Bother C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549236 JJ Annotated Bother CC(=O)N1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Cl)CC1 ZINC000587549315 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Cl)CC1 ZINC000587549317 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Cl)CC1 ZINC000587549319 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Cl)CC1 ZINC000587549321 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549392 JJ Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549397 JJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549400 JJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549402 JJ Annotated Bother CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549429 JJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549433 JJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549437 JJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549439 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549587 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549588 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549589 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549590 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C(F)(F)C(F)(F)F ZINC000587549718 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(F)(F)C(F)(F)F ZINC000587549721 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(F)(F)C(F)(F)F ZINC000587549723 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C(F)(F)C(F)(F)F ZINC000587549725 JJ Annotated Reactive C[C@@]1(c2nc(Br)cnc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549753 JJ Annotated Anodyne C[C@@]1(c2nc(Br)cnc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549778 JJ Annotated Anodyne C[C@]1(c2nc(Br)cnc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549780 JJ Annotated Anodyne C[C@]1(c2nc(Br)cnc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549782 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587549792 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587549793 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587549796 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587549798 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2cc(Br)ccc2c1=O ZINC000587549865 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2cc(Br)ccc2c1=O ZINC000587549868 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2cc(Br)ccc2c1=O ZINC000587549870 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2cc(Br)ccc2c1=O ZINC000587549872 JJ Annotated Anodyne NC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549974 JJ Annotated Anodyne NC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549975 JJ Annotated Anodyne NC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549976 JJ Annotated Anodyne NC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587549977 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587550056 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587550058 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587550060 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587550063 JJ Annotated Anodyne CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550069 JJ Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550070 JJ Annotated Mild CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550071 JJ Annotated Mild CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550072 JJ Annotated Mild COc1ccc(Br)c2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550130 JJ Annotated Anodyne COc1ccc(Br)c2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550132 JJ Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550133 JJ Annotated Anodyne COc1ccc(Br)c2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550135 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(N2CCCC2)nc1Cl ZINC000587550450 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(N2CCCC2)nc1Cl ZINC000587550451 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(N2CCCC2)nc1Cl ZINC000587550452 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(N2CCCC2)nc1Cl ZINC000587550453 JJ Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550564 JJ Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550565 JJ Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550566 JJ Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550567 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550670 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550671 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550672 JJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550673 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587551000 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587551001 JJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587551002 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000587551003 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000587551052 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000587551053 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000587551054 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000587551055 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551317 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551318 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551320 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551322 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000587551433 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000587551434 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000587551435 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000587551436 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551453 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551454 JJ Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551455 JJ Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551456 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1NCc1ccccc1 ZINC000587552061 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1NCc1ccccc1 ZINC000587552062 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1NCc1ccccc1 ZINC000587552063 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1NCc1ccccc1 ZINC000587552064 JJ Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552085 JJ Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552086 JJ Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552087 JJ Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552088 JJ Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587552478 JJ Annotated Anodyne O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587552479 JJ Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587552480 JJ Annotated Anodyne O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587552481 JJ Annotated Anodyne COc1c(OC(F)F)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587552557 JJ Annotated Bother COc1c(OC(F)F)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587552558 JJ Annotated Bother COc1c(OC(F)F)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587552559 JJ Annotated Bother COc1c(OC(F)F)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587552560 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587552573 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587552574 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587552575 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587552576 JJ Annotated Bother CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552725 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552734 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552736 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552738 JJ Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552785 JJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552786 JJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552787 JJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552789 JJ Annotated Mild CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587553345 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587553348 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587553349 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587553350 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553422 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553423 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553424 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553426 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000587553599 JJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000587553600 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000587553602 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000587553603 JJ Annotated Bother CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553850 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553871 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553874 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553878 JJ Annotated Anodyne COc1c(F)cccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555228 JJ Annotated Reactive COc1c(F)cccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555235 JJ Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555237 JJ Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555239 JJ Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555384 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555386 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555388 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555390 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587555926 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587555927 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587555928 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587555929 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000587556313 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000587556314 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000587556316 JJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000587556317 JJ Annotated Bother CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556854 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556855 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556857 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556858 JJ Annotated Anodyne COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556993 JJ Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556994 JJ Annotated Anodyne COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556995 JJ Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556996 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557133 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557135 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557136 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557137 JJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2F)no1 ZINC000587557367 JJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2F)no1 ZINC000587557368 JJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2F)no1 ZINC000587557369 JJ Annotated Anodyne Cc1nccn1Cc1nc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2F)no1 ZINC000587557370 JJ Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557453 JJ Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557455 JJ Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557457 JJ Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557458 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000587558117 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000587558118 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000587558119 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000587558120 JJ Annotated Bother C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558280 JJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558282 JJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558283 JJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558284 JJ Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558320 JJ Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558321 JJ Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558322 JJ Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558323 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558340 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558342 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587558413 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587558414 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587558415 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587558416 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558449 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558450 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558451 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558452 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558507 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558508 JJ Annotated Anodyne Oc1nc(O)c2ccc(-c3c(O)cc(OCc4ccccc4)cc3OCc3ccccc3)nc2n1 ZINC000587558565 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558702 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558705 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558708 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558709 JJ Annotated Anodyne CCN1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587558759 JJ Annotated Anodyne CCN1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587558763 JJ Annotated Anodyne CCN1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587558765 JJ Annotated Anodyne CCN1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)CC1 ZINC000587558766 JJ Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559620 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587559621 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559622 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587559623 JJ Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587559640 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587559641 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587559642 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587559643 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(Br)cc1F ZINC000587559864 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(Br)cc1F ZINC000587559865 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(Br)cc1F ZINC000587559866 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(Br)cc1F ZINC000587559867 JJ Annotated Bother CCCCCCCCC[C@H](O)Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O)c(OC)c1 ZINC000587560132 JJ Annotated Mild CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587560518 JJ Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587560875 JJ Annotated Anodyne CC1(C)CC(=O)C([C@H](c2ccccc2)c2cc3c(O)nc(O)nc3nc2-c2ccccc2)C(=O)C1 ZINC000587561330 JJ Annotated Anodyne CC1(C)CC(=O)C([C@@H](c2ccccc2)c2cc3c(O)nc(O)nc3nc2-c2ccccc2)C(=O)C1 ZINC000587561332 JJ Annotated Anodyne CC(=O)O[C@]1(c2ccc3c(O)nc(O)nc3n2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587561626 JJ Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587561891 JJ Annotated Mild Cc1cc2c(O)nc(O)nc2nc1[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C ZINC000587562534 JJ Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C ZINC000587562535 JJ Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C ZINC000587562536 JJ Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C ZINC000587562537 JJ Annotated Anodyne Cc1cccc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1C ZINC000587563840 JJ Annotated Anodyne Cc1cc(C)cc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587563854 JJ Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587563883 JJ Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587564561 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 ZINC000587565880 JJ Annotated Anodyne CC(C)COc1cccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587566035 JJ Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587566450 JJ Annotated Anodyne CCCCCOc1cc2nc(CCOCCCOCCC(=O)OCC)[nH]c2cc1Br ZINC000587566488 JJ Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587566506 JJ Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587566541 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(I)c1F ZINC000587566791 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(I)c1F ZINC000587566794 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(I)c1F ZINC000587566798 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(I)c1F ZINC000587566800 JJ Annotated Anodyne C[C@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567017 JJ Annotated Anodyne C[C@@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567018 JJ Annotated Anodyne C[C@@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567019 JJ Annotated Anodyne C[C@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567020 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(I)c1 ZINC000587567213 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(I)c1 ZINC000587567214 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(I)c1 ZINC000587567215 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(I)c1 ZINC000587567216 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2[nH]nc(I)c12 ZINC000587567217 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2[nH]nc(I)c12 ZINC000587567218 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2[nH]nc(I)c12 ZINC000587567219 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2[nH]nc(I)c12 ZINC000587567220 JJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587567253 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587567254 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587567255 JJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587567256 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)c(F)c1 ZINC000587567269 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)c(F)c1 ZINC000587567270 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)c(F)c1 ZINC000587567271 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)c(F)c1 ZINC000587567272 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567508 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567511 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567513 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567515 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCOc1cccc(I)c1 ZINC000587567545 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCOc1cccc(I)c1 ZINC000587567546 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCOc1cccc(I)c1 ZINC000587567547 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCOc1cccc(I)c1 ZINC000587567548 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(I)cc1F ZINC000587567557 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(I)cc1F ZINC000587567558 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(I)cc1F ZINC000587567559 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(I)cc1F ZINC000587567560 JJ Annotated Anodyne Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567660 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567661 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567662 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567663 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(I)cccc12 ZINC000587567845 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(I)cccc12 ZINC000587567847 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(I)cccc12 ZINC000587567849 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(I)cccc12 ZINC000587567850 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567986 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567990 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567991 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567992 JJ Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568191 JJ Annotated Anodyne COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568193 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1F ZINC000587568268 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1F ZINC000587568270 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1F ZINC000587568272 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1F ZINC000587568274 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2[nH]nc(I)c2c1 ZINC000587568275 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2[nH]nc(I)c2c1 ZINC000587568277 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2[nH]nc(I)c2c1 ZINC000587568278 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2[nH]nc(I)c2c1 ZINC000587568280 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)cc(Br)cc12 ZINC000587568282 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)cc(Br)cc12 ZINC000587568285 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)cc(Br)cc12 ZINC000587568286 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)cc(Br)cc12 ZINC000587568287 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587568711 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587568715 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587568716 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587568717 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568842 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568843 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568844 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568845 JJ Annotated Anodyne O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)cc2N1 ZINC000587568945 JJ Annotated Reactive O=C1CCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)cc2N1 ZINC000587568946 JJ Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(F)cc2N1 ZINC000587568947 JJ Annotated Reactive O=C1CCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(F)cc2N1 ZINC000587568948 JJ Annotated Reactive N=c1[nH]c2ccc([C@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587568993 JJ Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587568994 JJ Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587568995 JJ Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587568996 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1I ZINC000587569035 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1I ZINC000587569036 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1I ZINC000587569037 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1I ZINC000587569038 JJ Annotated Anodyne C[C@]1(c2ccc(O)c(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569047 JJ Annotated Anodyne C[C@@]1(c2ccc(O)c(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569048 JJ Annotated Anodyne C[C@@]1(c2ccc(O)c(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569049 JJ Annotated Anodyne C[C@]1(c2ccc(O)c(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569050 JJ Annotated Anodyne C[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569059 JJ Annotated Anodyne C[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569060 JJ Annotated Anodyne C[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569061 JJ Annotated Anodyne C[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569062 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1I ZINC000587569078 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1I ZINC000587569079 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1I ZINC000587569080 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1I ZINC000587569081 JJ Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569651 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569652 JJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569653 JJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569654 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000587569668 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000587569671 JJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000587569673 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000587569674 JJ Annotated Clean O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569711 JJ Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569712 JJ Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569713 JJ Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569714 JJ Annotated Reactive COC(C)(Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F)OC ZINC000587570101 JJ Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F)OC ZINC000587570111 JJ Annotated Anodyne COC(C)(Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F)OC ZINC000587570113 JJ Annotated Anodyne COC(C)(Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F)OC ZINC000587570115 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570187 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570188 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570189 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570190 JJ Annotated Anodyne COc1ccc(I)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570217 JJ Annotated Anodyne COc1ccc(I)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570218 JJ Annotated Anodyne COc1ccc(I)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570219 JJ Annotated Anodyne COc1ccc(I)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570220 JJ Annotated Anodyne C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587570249 JJ Annotated Mild C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587570250 JJ Annotated Mild C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587570251 JJ Annotated Mild C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587570252 JJ Annotated Mild C[C@@]1(c2ccc(I)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570253 JJ Annotated Anodyne C[C@@]1(c2ccc(I)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570254 JJ Annotated Anodyne C[C@]1(c2ccc(I)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570255 JJ Annotated Anodyne C[C@]1(c2ccc(I)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570256 JJ Annotated Anodyne COc1ccc(I)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570308 JJ Annotated Anodyne COc1ccc(I)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570310 JJ Annotated Anodyne COc1ccc(I)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570311 JJ Annotated Anodyne COc1ccc(I)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570313 JJ Annotated Anodyne N#CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587570526 JJ Annotated Mild N#CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587570528 JJ Annotated Mild N#CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587570529 JJ Annotated Mild N#CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587570531 JJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc(I)cc12 ZINC000587570605 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc(I)cc12 ZINC000587570606 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc(I)cc12 ZINC000587570607 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc(I)cc12 ZINC000587570608 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccccc12 ZINC000587570649 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccccc12 ZINC000587570650 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccccc12 ZINC000587570651 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccccc12 ZINC000587570652 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570868 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570885 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570886 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570887 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571009 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571014 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571015 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571016 JJ Annotated Anodyne COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587571182 JJ Annotated Reactive COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587571183 JJ Annotated Reactive COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587571185 JJ Annotated Reactive COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587571186 JJ Annotated Reactive CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587571210 JJ Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587571212 JJ Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587571213 JJ Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587571214 JJ Annotated Anodyne N#CC[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571634 JJ Annotated Mild N#CC[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571635 JJ Annotated Mild N#CC[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571636 JJ Annotated Mild N#CC[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571637 JJ Annotated Mild C[C@@]1(c2cnc3[nH]cc(I)c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571860 JJ Annotated Anodyne C[C@@]1(c2cnc3[nH]cc(I)c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571865 JJ Annotated Anodyne C[C@]1(c2cnc3[nH]cc(I)c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571866 JJ Annotated Anodyne C[C@]1(c2cnc3[nH]cc(I)c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571867 JJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N ZINC000587571941 JJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N ZINC000587571942 JJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N ZINC000587571943 JJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N ZINC000587571944 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c(I)n[nH]c12 ZINC000587571989 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c(I)n[nH]c12 ZINC000587571990 JJ Annotated Anodyne COc1ccc(F)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572025 JJ Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572026 JJ Annotated Reactive COc1ccc(F)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572027 JJ Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572028 JJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c(I)n[nH]c12 ZINC000587572140 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c(I)n[nH]c12 ZINC000587572141 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(I)n[nH]c2c1 ZINC000587572174 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(I)n[nH]c2c1 ZINC000587572176 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(I)n[nH]c2c1 ZINC000587572178 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(I)n[nH]c2c1 ZINC000587572179 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(I)ccnc1Cl ZINC000587572275 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(I)ccnc1Cl ZINC000587572276 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(I)ccnc1Cl ZINC000587572277 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(I)ccnc1Cl ZINC000587572278 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572347 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572348 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572349 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572350 JJ Annotated Anodyne COc1cccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572481 JJ Annotated Anodyne COc1cccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572483 JJ Annotated Anodyne COc1cccc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572484 JJ Annotated Anodyne COc1cccc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572485 JJ Annotated Anodyne N#CC[C@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572563 JJ Annotated Mild N#CC[C@@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572564 JJ Annotated Mild N#CC[C@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572565 JJ Annotated Mild N#CC[C@@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572566 JJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1I ZINC000587572579 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1I ZINC000587572580 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1I ZINC000587572581 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1I ZINC000587572582 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572727 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572728 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572730 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572732 JJ Annotated Anodyne C[C@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572737 JJ Annotated Anodyne C[C@@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572739 JJ Annotated Anodyne C[C@@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572741 JJ Annotated Anodyne C[C@]1(c2cccc(I)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572743 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)ccc1F ZINC000587572768 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)ccc1F ZINC000587572769 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)ccc1F ZINC000587572770 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)ccc1F ZINC000587572771 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(I)ccc12 ZINC000587572794 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(I)ccc12 ZINC000587572796 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(I)ccc12 ZINC000587572798 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(I)ccc12 ZINC000587572799 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2[nH]cc(I)c2c1 ZINC000587572800 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2[nH]cc(I)c2c1 ZINC000587572801 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2[nH]cc(I)c2c1 ZINC000587572803 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2[nH]cc(I)c2c1 ZINC000587572804 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572986 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572987 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572988 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572989 JJ Annotated Anodyne C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573128 JJ Annotated Mild N#CC[C@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573144 JJ Annotated Mild N#CC[C@@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573145 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573146 JJ Annotated Mild N#CC[C@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573147 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573148 JJ Annotated Mild N#CC[C@@]1(c2ccccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573149 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573151 JJ Annotated Mild CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N(CC)CC ZINC000587573280 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N(CC)CC ZINC000587573281 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N(CC)CC ZINC000587573282 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N(CC)CC ZINC000587573284 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000587573303 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000587573307 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000587573308 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000587573309 JJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587573382 JJ Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587573383 JJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587573386 JJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587573388 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)c(F)c1F ZINC000587573519 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)c(F)c1F ZINC000587573520 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)c(F)c1F ZINC000587573521 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)c(F)c1F ZINC000587573522 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(I)cc12 ZINC000587573569 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(I)cc12 ZINC000587573571 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(I)cc12 ZINC000587573572 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(I)cc12 ZINC000587573574 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(I)c1 ZINC000587573580 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(I)c1 ZINC000587573581 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(I)c1 ZINC000587573582 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(I)c1 ZINC000587573584 JJ Annotated Anodyne N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573588 JJ Annotated Mild N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573589 JJ Annotated Mild N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573590 JJ Annotated Mild N#CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573591 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C#N)c(N)nc1O2 ZINC000587573809 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C#N)c(N)nc1O2 ZINC000587573810 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C#N)c(N)nc1O2 ZINC000587573811 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C#N)c(N)nc1O2 ZINC000587573812 JJ Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587573813 JJ Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587573814 JJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587573815 JJ Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587573816 JJ Annotated Bother Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573817 JJ Annotated Clean Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573818 JJ Annotated Clean Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573819 JJ Annotated Clean Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573820 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 ZINC000587574079 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 ZINC000587574083 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 ZINC000587574085 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 ZINC000587574090 JJ Annotated Bother COc1cccc(OCCn2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574135 JJ Annotated Anodyne COc1cccc(OCCn2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574137 JJ Annotated Anodyne COc1cccc(OCCn2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574139 JJ Annotated Anodyne COc1cccc(OCCn2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574141 JJ Annotated Anodyne N#Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574306 JJ Annotated Mild N#Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574308 JJ Annotated Mild N#Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574310 JJ Annotated Mild N#Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574311 JJ Annotated Mild O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] ZINC000587574327 JJ Annotated Bother O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] ZINC000587574328 JJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] ZINC000587574329 JJ Annotated Bother O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] ZINC000587574330 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574355 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574356 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574357 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574358 JJ Annotated Bother Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574367 JJ Annotated Bother Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574368 JJ Annotated Bother Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574369 JJ Annotated Bother Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587574370 JJ Annotated Bother CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C(=O)OC(C)(C)C ZINC000587574469 JJ Annotated Anodyne CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C(=O)OC(C)(C)C ZINC000587574470 JJ Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C(=O)OC(C)(C)C ZINC000587574471 JJ Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C(=O)OC(C)(C)C ZINC000587574472 JJ Annotated Anodyne CCOC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574885 JJ Annotated Clean CCOC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574888 JJ Annotated Clean CCOC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574890 JJ Annotated Clean CCOC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574892 JJ Annotated Clean CC(C)(C)OC(=O)NC[C@H](Cc1ccncc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574912 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1ccncc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574913 JJ Annotated Anodyne Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587574949 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587574950 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587574951 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587574952 JJ Annotated Bother CC(C)(C)OC(=O)NC[C@H](Cc1ccncc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574975 JJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1ccncc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574976 JJ Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Nc1ccccn1 ZINC000587575084 JJ Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Nc1ccccn1 ZINC000587575085 JJ Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Nc1ccccn1 ZINC000587575087 JJ Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Nc1ccccn1 ZINC000587575091 JJ Annotated Anodyne COc1ccc(OCCn2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575167 JJ Annotated Anodyne COc1ccc(OCCn2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575168 JJ Annotated Anodyne COc1ccc(OCCn2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575169 JJ Annotated Anodyne COc1ccc(OCCn2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575170 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575191 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575192 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575193 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575194 JJ Annotated Anodyne O=C(N[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587575494 JJ Annotated Anodyne O=C(N[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587575495 JJ Annotated Anodyne O=C(N[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587575496 JJ Annotated Anodyne O=C(N[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587575497 JJ Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587575580 JJ Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587575581 JJ Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587575582 JJ Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587575583 JJ Annotated Clean Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575696 JJ Annotated Bother Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575697 JJ Annotated Bother Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575698 JJ Annotated Bother Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575699 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576115 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576118 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576121 JJ Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576124 JJ Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576127 JJ Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576130 JJ Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576132 JJ Annotated Bother O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576135 JJ Annotated Bother NCCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576162 JJ Annotated Anodyne NCCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576165 JJ Annotated Anodyne NCCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576167 JJ Annotated Anodyne NCCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576169 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587576192 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587576196 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587576198 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587576199 JJ Annotated Bother Nc1ccccc1C(=O)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576209 JJ Annotated Anodyne Nc1ccccc1C(=O)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576234 JJ Annotated Anodyne Nc1ccccc1C(=O)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576237 JJ Annotated Anodyne Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587576238 JJ Annotated Bother Nc1ccccc1C(=O)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576239 JJ Annotated Anodyne Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587576241 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587576242 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587576243 JJ Annotated Bother COc1ccc([C@@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587576336 JJ Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587576337 JJ Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587576339 JJ Annotated Anodyne COc1ccc([C@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587576342 JJ Annotated Anodyne Nc1ccccc1[C@]1(c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576371 JJ Annotated Anodyne Nc1ccccc1[C@]1(c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576375 JJ Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576376 JJ Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576378 JJ Annotated Anodyne Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576670 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576671 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576673 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576674 JJ Annotated Bother O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576760 JJ Annotated Bother O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576767 JJ Annotated Bother O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576769 JJ Annotated Bother O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576771 JJ Annotated Bother O=C(O)Cn1cc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576983 JJ Annotated Anodyne O=C(O)Cn1cc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576986 JJ Annotated Anodyne O=C(O)Cn1cc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576987 JJ Annotated Anodyne O=C(O)Cn1cc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576989 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)no1 ZINC000587577145 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)no1 ZINC000587577146 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)no1 ZINC000587577147 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)no1 ZINC000587577148 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577200 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577202 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577204 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577206 JJ Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577327 JJ Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577336 JJ Annotated Anodyne CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577338 JJ Annotated Anodyne CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577340 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587577379 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587577382 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587577385 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587577388 JJ Annotated Bother O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)NCc1ccco1 ZINC000587577408 JJ Annotated Anodyne O=C(Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)NCc1ccco1 ZINC000587577409 JJ Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21)NCc1ccco1 ZINC000587577410 JJ Annotated Anodyne O=C(Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21)NCc1ccco1 ZINC000587577413 JJ Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587577495 JJ Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587577497 JJ Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587577499 JJ Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587577501 JJ Annotated Anodyne Cn1cc([N+](=O)[O-])c(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 ZINC000587577566 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 ZINC000587577567 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 ZINC000587577568 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 ZINC000587577569 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577725 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577727 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577729 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577732 JJ Annotated Bother CC(C)NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577777 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577780 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577782 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577783 JJ Annotated Anodyne Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577824 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577825 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577826 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577827 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1[C@@H](Cc1ccccc1)C(=O)O ZINC000587577832 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1[C@@H](Cc1ccccc1)C(=O)O ZINC000587577833 JJ Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577834 JJ Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577835 JJ Annotated Anodyne COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577934 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577935 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577936 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577937 JJ Annotated Bother CCc1nccn1Cc1nc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)no1 ZINC000587578610 JJ Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)no1 ZINC000587578613 JJ Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)no1 ZINC000587578615 JJ Annotated Anodyne CCc1nccn1Cc1nc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)no1 ZINC000587578617 JJ Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587578727 JJ Annotated Bother COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587578728 JJ Annotated Bother COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587578729 JJ Annotated Bother COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587578730 JJ Annotated Bother Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1cccc2ncccc12 ZINC000587578837 JJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1cccc2ncccc12 ZINC000587578839 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1cccc2ncccc12 ZINC000587578840 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1cccc2ncccc12 ZINC000587578841 JJ Annotated Anodyne COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2-c1ncccn1 ZINC000587578913 JJ Annotated Anodyne COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2-c1ncccn1 ZINC000587578915 JJ Annotated Anodyne COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2-c1ncccn1 ZINC000587578916 JJ Annotated Anodyne COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2-c1ncccn1 ZINC000587578917 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579266 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579274 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579275 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579276 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cnc1N ZINC000587579370 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cnc1N ZINC000587579371 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cnc1N ZINC000587579372 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cnc1N ZINC000587579373 JJ Annotated Anodyne Cn1cc([N+](=O)[O-])c(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587579406 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587579407 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587579408 JJ Annotated Bother Cn1cc([N+](=O)[O-])c(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587579409 JJ Annotated Bother Nc1nc2cc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2o1 ZINC000587579426 JJ Annotated Anodyne Nc1nc2cc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2o1 ZINC000587579427 JJ Annotated Anodyne Nc1nc2cc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2o1 ZINC000587579428 JJ Annotated Anodyne Nc1nc2cc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2o1 ZINC000587579429 JJ Annotated Anodyne O=C(NC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587579526 JJ Annotated Anodyne O=C(NC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCc1ccccc1 ZINC000587579531 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 ZINC000587579535 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 ZINC000587579539 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 ZINC000587579541 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 ZINC000587579543 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587579850 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587579851 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587579852 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587579853 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579912 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579919 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579923 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579924 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579925 JJ Annotated Mild CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579927 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579930 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579932 JJ Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1cccnc1 ZINC000587580232 JJ Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1cccnc1 ZINC000587580233 JJ Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1cccnc1 ZINC000587580234 JJ Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1cccnc1 ZINC000587580235 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587580258 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587580259 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587580260 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H](N1C(=O)c3ccccc3C1=O)C2 ZINC000587580261 JJ Annotated Anodyne CC(C)(C)OC(=O)n1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587580347 JJ Annotated Anodyne CC(C)(C)OC(=O)n1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587580359 JJ Annotated Anodyne CC(C)(C)OC(=O)n1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587580361 JJ Annotated Anodyne CC(C)(C)OC(=O)n1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587580362 JJ Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580604 JJ Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580605 JJ Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580606 JJ Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580607 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580624 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580625 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580626 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580627 JJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C/C(=O)O ZINC000587580679 JJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C\C(=O)O ZINC000587580681 JJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C\C(=O)O ZINC000587580683 JJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C/C(=O)O ZINC000587580685 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587580724 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587580726 JJ Annotated Anodyne CCc1cccc2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(CC(=O)O)c12 ZINC000587580727 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587580728 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587580729 JJ Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580731 JJ Annotated Anodyne CCc1cccc2c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(CC(=O)O)c12 ZINC000587580734 JJ Annotated Anodyne CCc1cccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(CC(=O)O)c12 ZINC000587580736 JJ Annotated Anodyne CCc1cccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(CC(=O)O)c12 ZINC000587580738 JJ Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580741 JJ Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580745 JJ Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580747 JJ Annotated Anodyne COc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580791 JJ Annotated Anodyne COc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580797 JJ Annotated Anodyne COc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580798 JJ Annotated Anodyne COc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587580800 JJ Annotated Anodyne N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCO3)n1 ZINC000587580872 JJ Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCO3)n1 ZINC000587580877 JJ Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCO3)n1 ZINC000587580879 JJ Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCO3)n1 ZINC000587580880 JJ Annotated Mild Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580889 JJ Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580891 JJ Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580893 JJ Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580895 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000587580980 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000587580982 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000587580984 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000587580987 JJ Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581063 JJ Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581065 JJ Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581068 JJ Annotated Clean C[C@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581069 JJ Annotated Anodyne CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581071 JJ Annotated Clean C[C@@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581072 JJ Annotated Anodyne C[C@@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581073 JJ Annotated Anodyne C[C@]1(CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581074 JJ Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587581119 JJ Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587581123 JJ Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587581125 JJ Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587581126 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581244 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581245 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581246 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581247 JJ Annotated Anodyne Nc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581373 JJ Annotated Anodyne Nc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581374 JJ Annotated Anodyne Nc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581376 JJ Annotated Anodyne Nc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581378 JJ Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581428 JJ Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581430 JJ Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581432 JJ Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581434 JJ Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000587581514 JJ Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000587581515 JJ Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000587581516 JJ Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000587581517 JJ Annotated Anodyne Nc1cccc([C@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581696 JJ Annotated Anodyne Nc1cccc([C@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581698 JJ Annotated Anodyne Nc1cccc([C@@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581699 JJ Annotated Anodyne Nc1cccc([C@@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581700 JJ Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581937 JJ Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581939 JJ Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581941 JJ Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581943 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587582222 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587582224 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587582225 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587582226 JJ Annotated Anodyne CN(C)/C=C1/N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582235 JJ Annotated Anodyne CN(C)/C=C1/N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582238 JJ Annotated Anodyne CN(C)/C=C1\N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582240 JJ Annotated Anodyne CN(C)/C=C1\N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582242 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587582518 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587582519 JJ Annotated Anodyne C[C@@H]1CN(CCOc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587582520 JJ Annotated Anodyne C[C@@H]1CN(CCOc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587582521 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CN1C(=O)c3ccccc3C1=O)CC2 ZINC000587582522 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CN1C(=O)c3ccccc3C1=O)CC2 ZINC000587582523 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587582870 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587582871 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587582872 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587582873 JJ Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582918 JJ Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582919 JJ Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582920 JJ Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582921 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582934 JJ Annotated Anodyne C[C@@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582935 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582936 JJ Annotated Anodyne C[C@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582937 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583034 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583045 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583048 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583050 JJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587583273 JJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587583275 JJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587583276 JJ Annotated Mild CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587583277 JJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000587583284 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000587583285 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000587583286 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000587583287 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583288 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583289 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583290 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583291 JJ Annotated Anodyne COc1ccc(-c2nn(CCC#N)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587583404 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587583405 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587583406 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587583407 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583548 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583550 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583551 JJ Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583552 JJ Annotated Mild C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583553 JJ Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583554 JJ Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583557 JJ Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583558 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000587583572 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000587583574 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000587583575 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000587583578 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583583 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583587 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583590 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583591 JJ Annotated Anodyne CN(C)C1CCN(C[C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583762 JJ Annotated Anodyne CN(C)C1CCN(C[C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583763 JJ Annotated Anodyne CN(C)C1CCN(C[C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583764 JJ Annotated Anodyne CN(C)C1CCN(C[C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583765 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cc(-n3cccn3)ncn2)cc1 ZINC000587584046 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cc(-n3cccn3)ncn2)cc1 ZINC000587584047 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cc(-n3cccn3)ncn2)cc1 ZINC000587584048 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cc(-n3cccn3)ncn2)cc1 ZINC000587584049 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584074 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584075 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584076 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584077 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587584250 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587584251 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587584252 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587584253 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584379 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584380 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584381 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584382 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584463 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584464 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584465 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584466 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584658 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584663 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584665 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584666 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)CC1 ZINC000587585075 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)CC1 ZINC000587585077 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)CC1 ZINC000587585079 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)CC1 ZINC000587585081 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCc1ccccc1)CC21CC1 ZINC000587585180 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCc1ccccc1)CC21CC1 ZINC000587585183 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCc1ccccc1)CC21CC1 ZINC000587585185 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCc1ccccc1)CC21CC1 ZINC000587585187 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587585330 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587585331 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587585332 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587585333 JJ Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585364 JJ Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585366 JJ Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585367 JJ Annotated Anodyne COC(=O)c1ccc(-c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585369 JJ Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585535 JJ Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585536 JJ Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585537 JJ Annotated Anodyne COC(=O)c1cncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585538 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585563 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585564 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585634 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585635 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccncc1 ZINC000587585652 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccncc1 ZINC000587585653 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccncc1 ZINC000587585655 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccncc1 ZINC000587585656 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585765 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585766 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585767 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585768 JJ Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585821 JJ Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585822 JJ Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585823 JJ Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585824 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585907 JJ Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585908 JJ Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585909 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585910 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585919 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585920 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585921 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585922 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCC(C)CC3)nc12 ZINC000587585973 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCC(C)CC3)nc12 ZINC000587585974 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCC(C)CC3)nc12 ZINC000587585976 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCC(C)CC3)nc12 ZINC000587585978 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccnc1 ZINC000587586285 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccnc1 ZINC000587586286 JJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccnc1 ZINC000587586287 JJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1cccnc1 ZINC000587586288 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586297 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586298 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586299 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586300 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587586474 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587586475 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587586476 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587586477 JJ Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586526 JJ Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586530 JJ Annotated Anodyne C[C@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586669 JJ Annotated Anodyne C[C@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586670 JJ Annotated Anodyne C[C@@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586671 JJ Annotated Anodyne C[C@@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586672 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587255 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587256 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587257 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587258 JJ Annotated Anodyne O=C(O)CN1c2ccccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587425 JJ Annotated Anodyne O=C(O)CN1c2ccccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587426 JJ Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587512 JJ Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587517 JJ Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587521 JJ Annotated Anodyne CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587523 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587616 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587618 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587620 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587622 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588048 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588050 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588052 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588053 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588054 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588055 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588058 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588060 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588062 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588067 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588068 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588069 JJ Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 ZINC000587588096 JJ Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 ZINC000587588098 JJ Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 ZINC000587588101 JJ Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 ZINC000587588103 JJ Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587588301 JJ Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587588302 JJ Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587588303 JJ Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587588304 JJ Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588383 JJ Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588384 JJ Annotated Anodyne COc1ccccc1/C=C1/N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587588385 JJ Annotated Anodyne COc1ccccc1/C=C1\N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587588386 JJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588389 JJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588390 JJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588392 JJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588394 JJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587588420 JJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587588422 JJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587588424 JJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587588426 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588607 JJ Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588608 JJ Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588609 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588610 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588650 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588652 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588655 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588658 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587588785 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587588787 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587588791 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587588793 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588844 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588850 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588853 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588857 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588879 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588880 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588881 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588882 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@H]2CN1C(=O)OCc1ccccc1 ZINC000587589131 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@H]2CN1C(=O)OCc1ccccc1 ZINC000587589133 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1C[C@H]2CN1C(=O)OCc1ccccc1 ZINC000587589136 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1C[C@H]2CN1C(=O)OCc1ccccc1 ZINC000587589138 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)OCCO3)nc2ncccn12 ZINC000587589289 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)OCCO3)nc2ncccn12 ZINC000587589290 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc3c(c2)OCCO3)nc2ncccn12 ZINC000587589291 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc3c(c2)OCCO3)nc2ncccn12 ZINC000587589292 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589305 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589308 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589310 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589313 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589369 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589372 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589373 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589375 JJ Annotated Anodyne N#Cc1c(CN2CCCC2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587589429 JJ Annotated Mild N#Cc1c(CN2CCCC2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587589432 JJ Annotated Mild CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589445 JJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589446 JJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589447 JJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589448 JJ Annotated Anodyne N#Cc1c(CN2CCCC2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587589571 JJ Annotated Mild N#Cc1c(CN2CCCC2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587589572 JJ Annotated Mild CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589729 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589730 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589731 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589732 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCn2c(ccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587590081 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCn2c(ccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587590082 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCn2c(ccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587590083 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCn2c(ccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587590084 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590109 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590110 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590112 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)n2c1 ZINC000587590113 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587590896 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587590897 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587590898 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587590899 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587590904 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587590905 JJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590939 JJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590940 JJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590941 JJ Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590944 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587591158 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587591160 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587591163 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587591166 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587591176 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587591183 JJ Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591210 JJ Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591212 JJ Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591214 JJ Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591216 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591310 JJ Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591314 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591315 JJ Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591317 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591318 JJ Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591320 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591321 JJ Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591322 JJ Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587591554 JJ Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587591559 JJ Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C[C@@H](O)CN1CCCC1 ZINC000587591561 JJ Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C[C@H](O)CN1CCCC1 ZINC000587591565 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@]21CCN(C(=O)OCc2ccccc2)C1 ZINC000587591670 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@]21CCN(C(=O)OCc2ccccc2)C1 ZINC000587591671 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@]21CCN(C(=O)OCc2ccccc2)C1 ZINC000587591672 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@]21CCN(C(=O)OCc2ccccc2)C1 ZINC000587591673 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000587591676 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000587591677 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000587591678 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000587591679 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587591804 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587591807 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587591811 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587591816 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2noc(CN3CCCC3)n2)cc1 ZINC000587592066 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2noc(CN3CCCC3)n2)cc1 ZINC000587592067 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2noc(CN3CCCC3)n2)cc1 ZINC000587592068 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2noc(CN3CCCC3)n2)cc1 ZINC000587592069 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592540 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592541 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592542 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592543 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCC(=O)O ZINC000587593051 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCC(=O)O ZINC000587593058 JJ Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCC(=O)O ZINC000587593060 JJ Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCC(=O)O ZINC000587593062 JJ Annotated Anodyne CCOC(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC ZINC000587593356 JJ Annotated Anodyne CCOC(COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC ZINC000587593359 JJ Annotated Anodyne CCOC(COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC ZINC000587593361 JJ Annotated Anodyne CCOC(COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC ZINC000587593362 JJ Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587593510 JJ Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587593511 JJ Annotated Anodyne CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587593512 JJ Annotated Anodyne CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCOCC1 ZINC000587593513 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593554 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593555 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593598 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593599 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593601 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593602 JJ Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593644 JJ Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593648 JJ Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593651 JJ Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593654 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587594180 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587594183 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587594186 JJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587594190 JJ Annotated Anodyne CCOC(=O)CCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594381 JJ Annotated Anodyne CCOC(=O)CCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594382 JJ Annotated Anodyne CCOC(=O)CCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594383 JJ Annotated Anodyne CCOC(=O)CCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594384 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000587594456 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000587594459 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000587594462 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000587594465 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CN(C(=O)OCc3ccccc3)C[C@@H]1C2 ZINC000587594501 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CN(C(=O)OCc3ccccc3)C[C@@H]1C2 ZINC000587594504 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CN(C(=O)OCc3ccccc3)C[C@H]1C2 ZINC000587594506 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H]1CN(C(=O)OCc3ccccc3)C[C@@H]1C2 ZINC000587594508 JJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594519 JJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594523 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 ZINC000587594677 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 ZINC000587594678 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 ZINC000587594679 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 ZINC000587594680 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC1(CN(C(=O)OCc3ccccc3)C1)C2 ZINC000587594697 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CN(C(=O)OCc3ccccc3)C1)C2 ZINC000587594698 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594930 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594933 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594935 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594936 JJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594948 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594950 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594953 JJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594956 JJ Annotated Anodyne Cc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCOCC3)nc2c1 ZINC000587595019 JJ Annotated Anodyne Cc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCOCC3)nc2c1 ZINC000587595022 JJ Annotated Anodyne Cc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCOCC3)nc2c1 ZINC000587595024 JJ Annotated Anodyne Cc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCOCC3)nc2c1 ZINC000587595026 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595170 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595171 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595172 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595173 JJ Annotated Anodyne CC(C)n1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587595563 JJ Annotated Mild CC(C)n1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587595580 JJ Annotated Mild CC(C)n1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587595582 JJ Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C#N)c1=O ZINC000587595584 JJ Annotated Mild COc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595727 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595728 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595729 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595730 JJ Annotated Anodyne CC(C)(C)OC(=O)CC1(CC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595911 JJ Annotated Anodyne CC(C)(C)OC(=O)CC1(CC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595912 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595957 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595960 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587595962 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587595963 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2C[C@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587595964 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2C[C@]3(C[C@H]2C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587595967 JJ Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587596740 JJ Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587596741 JJ Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587596742 JJ Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587596743 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597022 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597023 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587597275 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587597276 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587597277 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587597278 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCN1CCOCC1)c1cc2ccccc2o1 ZINC000587597407 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCN1CCOCC1)c1cc2ccccc2o1 ZINC000587597408 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCOCC1)c1cc2ccccc2o1 ZINC000587597409 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCOCC1)c1cc2ccccc2o1 ZINC000587597410 JJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCN2C(=O)C(C)(C)C ZINC000587597525 JJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCN2C(=O)C(C)(C)C ZINC000587597527 JJ Annotated Anodyne Cc1cc2c(nc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCN2C(=O)C(C)(C)C ZINC000587597529 JJ Annotated Anodyne Cc1cc2c(nc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCN2C(=O)C(C)(C)C ZINC000587597532 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(N1CCOCC1)Oc1c2ccc2ccccc12 ZINC000587598167 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(N1CCOCC1)Oc1c2ccc2ccccc12 ZINC000587598168 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(N1CCOCC1)Oc1c2ccc2ccccc12 ZINC000587598169 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(N1CCOCC1)Oc1c2ccc2ccccc12 ZINC000587598170 JJ Annotated Anodyne C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598477 JJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598480 JJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598482 JJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598485 JJ Annotated Clean C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598488 JJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598491 JJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598494 JJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598497 JJ Annotated Clean CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598870 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598872 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598874 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598875 JJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587598930 JJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587598931 JJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587598932 JJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587598934 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598955 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598957 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598960 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598961 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598973 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598976 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598978 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598980 JJ Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599033 JJ Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599034 JJ Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599035 JJ Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599036 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599145 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599146 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599147 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599148 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCOC ZINC000587599216 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCOC ZINC000587599217 JJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCOC ZINC000587599220 JJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCOC ZINC000587599222 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599353 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599355 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599357 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599359 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599462 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599463 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599464 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599466 JJ Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587599484 JJ Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587599486 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599673 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599675 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599678 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599680 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601070 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601071 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601072 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601073 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C)cc(O)c1C2=O ZINC000587602913 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C)cc(O)c1C2=O ZINC000587602918 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C)cc(O)c1C2=O ZINC000587602921 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C)cc(O)c1C2=O ZINC000587602927 JJ Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602932 JJ Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602935 JJ Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603044 JJ Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603048 JJ Annotated Anodyne O=C(C(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587603143 JJ Annotated Clean O=C(C(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587603144 JJ Annotated Clean O=C(C(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587603145 JJ Annotated Clean O=C(C(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587603146 JJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000587604048 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000587604049 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604969 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604981 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604982 JJ Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604983 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000587605059 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000587605061 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000587605062 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000587605064 JJ Annotated Anodyne O=C(O)Cc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605264 JJ Annotated Anodyne O=C(O)Cc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605265 JJ Annotated Anodyne O=C(O)Cc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605267 JJ Annotated Anodyne O=C(O)Cc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605269 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587605318 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587605322 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587605324 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587605327 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587605335 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587605341 JJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587605343 JJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587605344 JJ Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587605436 JJ Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587605439 JJ Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587605442 JJ Annotated Anodyne CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587605443 JJ Annotated Anodyne O=C(O)CSC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605454 JJ Annotated Anodyne O=C(O)CSC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605456 JJ Annotated Anodyne O=C(O)CSC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605457 JJ Annotated Anodyne O=C(O)CSC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605458 JJ Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605486 JJ Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605487 JJ Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605489 JJ Annotated Anodyne CC(C)CCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605491 JJ Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605682 JJ Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605687 JJ Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605689 JJ Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605692 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccccc1)O2 ZINC000587605740 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccccc1)O2 ZINC000587605745 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccccc1)O2 ZINC000587605749 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccccc1)O2 ZINC000587605750 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 ZINC000587605885 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 ZINC000587605886 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 ZINC000587605887 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 ZINC000587605888 JJ Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605931 JJ Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605932 JJ Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605933 JJ Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605934 JJ Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606234 JJ Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606235 JJ Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606236 JJ Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606237 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606379 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606380 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000587606571 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000587606584 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000587606585 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000587606586 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606631 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606633 JJ Annotated Anodyne C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606679 JJ Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606681 JJ Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606682 JJ Annotated Unstable C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606683 JJ Annotated Unstable O=C(O)c1ccc([C@@]2(c3cccc(O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606686 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cccc(O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606690 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cccc(O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606692 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cccc(O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606695 JJ Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607216 JJ Annotated Unstable C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607217 JJ Annotated Unstable C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607218 JJ Annotated Unstable C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607219 JJ Annotated Unstable Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607232 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607233 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607234 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607235 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607368 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607369 JJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607370 JJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607371 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607392 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587607394 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607396 JJ Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587607399 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587607411 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587607413 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587607415 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587607417 JJ Annotated Unstable COC(=O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587607574 JJ Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587607576 JJ Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587607578 JJ Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587607581 JJ Annotated Anodyne CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607744 JJ Annotated Unstable CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607746 JJ Annotated Unstable CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607748 JJ Annotated Unstable CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607750 JJ Annotated Unstable O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607958 JJ Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607959 JJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607961 JJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607962 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587608299 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587608300 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587608301 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587608303 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608470 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608471 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608472 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608473 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587608502 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587608503 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587608504 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587608505 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608510 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608511 JJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608512 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(S(=O)(=O)Cl)cc12 ZINC000587608513 JJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000587608727 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000587608728 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000587608729 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000587608730 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587608767 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587608772 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587608774 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587608776 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587608949 JJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587608951 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587608953 JJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587608955 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608982 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608984 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608986 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608989 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587609158 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587609159 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587609160 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587609161 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587609222 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587609223 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587609224 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(O)c1C2=O ZINC000587609225 JJ Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609406 JJ Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609408 JJ Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609409 JJ Annotated Anodyne CCOP(=O)(OCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609410 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587609475 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587609477 JJ Annotated Anodyne Nc1ncc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609478 JJ Annotated Anodyne Nc1ncc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609479 JJ Annotated Anodyne Nc1ncc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609480 JJ Annotated Anodyne Nc1ncc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609481 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587609722 JJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587609724 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(N2CCCCC2)s1 ZINC000587609752 JJ Annotated Reactive CN(C)S(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587609753 JJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587609755 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(N2CCCCC2)s1 ZINC000587609756 JJ Annotated Reactive CN(C)S(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587609757 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(N2CCCCC2)s1 ZINC000587609758 JJ Annotated Reactive CN(C)S(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587609759 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(N2CCCCC2)s1 ZINC000587609760 JJ Annotated Reactive COC(=O)c1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609781 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609791 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609793 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609795 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc(C)c1C ZINC000587609796 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc(C)c1C ZINC000587609803 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc(C)c1C ZINC000587609806 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc(C)c1C ZINC000587609809 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610244 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610248 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610252 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610256 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 ZINC000587610267 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 ZINC000587610279 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 ZINC000587610283 JJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 ZINC000587610284 JJ Annotated Bother C[C@@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610350 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610351 JJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610353 JJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610355 JJ Annotated Anodyne CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Nc2ccccc2)n1 ZINC000587610394 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610399 JJ Annotated Anodyne CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Nc2ccccc2)n1 ZINC000587610401 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610403 JJ Annotated Anodyne CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Nc2ccccc2)n1 ZINC000587610404 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610406 JJ Annotated Anodyne CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Nc2ccccc2)n1 ZINC000587610407 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610408 JJ Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610439 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610443 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610445 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610448 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(O)cc(O)cc1O2 ZINC000587610643 JJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(O)cc(O)cc1O2 ZINC000587610649 JJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)cc(O)cc1O2 ZINC000587610653 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)cc(O)cc1O2 ZINC000587610656 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587610847 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587610854 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587610856 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587610858 JJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610918 JJ Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610922 JJ Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610925 JJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610927 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Cl)c(S(=O)(=O)Cl)cc12 ZINC000587610999 JJ Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Cl)c(S(=O)(=O)Cl)cc12 ZINC000587611002 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Cl)c(S(=O)(=O)Cl)cc12 ZINC000587611003 JJ Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Cl)c(S(=O)(=O)Cl)cc12 ZINC000587611005 JJ Annotated Unstable Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587611018 JJ Annotated Mild Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587611021 JJ Annotated Mild O=C(O)CC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611132 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611133 JJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611134 JJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611136 JJ Annotated Anodyne O=C(O)c1ccc(C2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611321 JJ Annotated Anodyne O=C(O)c1ccc(C2(c3ccc(C(=O)O)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611323 JJ Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611364 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611374 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611375 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611376 JJ Annotated Reactive COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611500 JJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611501 JJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611502 JJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611503 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000587611504 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000587611505 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000587611506 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000587611507 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nncn1C ZINC000587611956 JJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nncn1C ZINC000587611957 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nncn1C ZINC000587611958 JJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nncn1C ZINC000587611959 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587612078 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587612083 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587612085 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1OC2 ZINC000587612087 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)C1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C(=O)O)ccc1-2 ZINC000587612806 JJ Annotated Anodyne O=C(O)c1ccc2c(c1)C1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C(=O)O)ccc1-2 ZINC000587612807 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612832 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612833 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612834 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612835 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612884 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612885 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612887 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612888 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Br)c2c1OCCO2 ZINC000587613040 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Br)c2c1OCCO2 ZINC000587613045 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Br)c2c1OCCO2 ZINC000587613048 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Br)c2c1OCCO2 ZINC000587613050 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 ZINC000587613475 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 ZINC000587613476 JJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 ZINC000587613477 JJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 ZINC000587613478 JJ Annotated Clean C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613499 JJ Annotated Mild C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613508 JJ Annotated Mild C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613510 JJ Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613512 JJ Annotated Mild Cc1c(O)cc2c(c1O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587613564 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587613566 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587613569 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587613573 JJ Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613650 JJ Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613651 JJ Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613652 JJ Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613653 JJ Annotated Anodyne Cn1ccnc1[C@@]1(c2cc(S)nc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613688 JJ Annotated Anodyne Cn1ccnc1[C@@]1(c2cc(S)nc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613689 JJ Annotated Anodyne Cn1ccnc1[C@]1(c2cc(S)nc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613690 JJ Annotated Anodyne Cn1ccnc1[C@]1(c2cc(S)nc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613691 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613704 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613705 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613706 JJ Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613707 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000587613810 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000587613811 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000587613812 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000587613813 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1CO2 ZINC000587614012 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1CO2 ZINC000587614013 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1CO2 ZINC000587614014 JJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1CO2 ZINC000587614015 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000587614065 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000587614069 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000587614070 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000587614073 JJ Annotated Anodyne O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614124 JJ Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614127 JJ Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614129 JJ Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614131 JJ Annotated Reactive O=C(O)c1ccoc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614532 JJ Annotated Anodyne O=C(O)c1ccoc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614533 JJ Annotated Anodyne O=C(O)c1ccoc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614534 JJ Annotated Anodyne O=C(O)c1ccoc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614535 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587614600 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587614601 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587614602 JJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587614603 JJ Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614634 JJ Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614635 JJ Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614636 JJ Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614637 JJ Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615016 JJ Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615017 JJ Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615018 JJ Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615019 JJ Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615556 JJ Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615557 JJ Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615558 JJ Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615559 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(OCC2OCCO2)cc1)C1CCC1 ZINC000587615708 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(OCC2OCCO2)cc1)C1CCC1 ZINC000587615711 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(OCC2OCCO2)cc1)C1CCC1 ZINC000587615726 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(OCC2OCCO2)cc1)C1CCC1 ZINC000587615727 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587615773 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587615774 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587615775 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587615776 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587615862 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587615866 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccccc1)Oc1ccccc12 ZINC000587615868 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccccc1)Oc1ccccc12 ZINC000587615872 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587616451 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587616452 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587616453 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587616454 JJ Annotated Anodyne O=C1N[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)Nc2scc(-c3ccccc3)c21 ZINC000587616529 JJ Annotated Anodyne O=C1N[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)Nc2scc(-c3ccccc3)c21 ZINC000587616530 JJ Annotated Anodyne O=C1N[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)Nc2scc(-c3ccccc3)c21 ZINC000587616531 JJ Annotated Anodyne O=C1N[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)Nc2scc(-c3ccccc3)c21 ZINC000587616532 JJ Annotated Anodyne C=CCc1c(CBr)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587616537 JJ Annotated Reactive Nc1sc2c(c1[C@@]1(c3ccncc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587616550 JJ Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccncc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587616551 JJ Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccncc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587616552 JJ Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccncc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587616553 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)Br)c(C)c2c1 ZINC000587616595 JJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)Br)c(C)c2c1 ZINC000587616596 JJ Annotated Reactive O=C(O)c1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)o1 ZINC000587616619 JJ Annotated Anodyne O=C(O)c1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)o1 ZINC000587616620 JJ Annotated Anodyne O=C(O)c1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)o1 ZINC000587616621 JJ Annotated Anodyne O=C(O)c1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)o1 ZINC000587616622 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587616633 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587616634 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587616635 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587616636 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587616701 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587616702 JJ Annotated Clean Nc1sc2c(c1[C@@]1(c3ccccn3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587616769 JJ Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccn3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587616770 JJ Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccn3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587616771 JJ Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccn3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587616772 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587616803 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587616804 JJ Annotated Clean COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616885 JJ Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616886 JJ Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616887 JJ Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616888 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c2nsnc12 ZINC000587616994 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c2nsnc12 ZINC000587616995 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c2nsnc12 ZINC000587616996 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c2nsnc12 ZINC000587616997 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C)c(Cl)c3C)c2c1 ZINC000587617242 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCCl)c(CCCl)c2c1 ZINC000587617296 JJ Annotated Reactive O=C(O)c1ccoc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587617402 JJ Annotated Anodyne O=C(O)c1ccoc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587617404 JJ Annotated Anodyne O=C(O)c1ccoc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587617406 JJ Annotated Anodyne O=C(O)c1ccoc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587617408 JJ Annotated Anodyne O=C1CSc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 ZINC000587617572 JJ Annotated Reactive O=C1CSc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 ZINC000587617573 JJ Annotated Reactive O=C1CSc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2N1 ZINC000587617574 JJ Annotated Reactive O=C1CSc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 ZINC000587617575 JJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC000587617584 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC000587617585 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC000587617586 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2nc(Cl)nc(N3CCOCC3)c2s1 ZINC000587617587 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000587617783 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000587617785 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000587617788 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000587617790 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587617963 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587617964 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587617965 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587617966 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(C(=O)C(F)(F)F)c2c1 ZINC000587617995 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(O)c2c1 ZINC000587618020 JJ Annotated Bother Cc1ncsc1CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587618060 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587618062 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587618063 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587618064 JJ Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccnc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587618079 JJ Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccnc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587618081 JJ Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccnc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587618083 JJ Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccnc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587618084 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000587618110 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000587618111 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000587618112 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000587618113 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587618263 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587618264 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587618265 JJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587618266 JJ Annotated Clean O=C(O)c1ccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587618287 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587618288 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587618289 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587618290 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC(F)=C(F)F)c2c1 ZINC000587618348 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(C)C)c(C(=O)C(F)(F)F)c2c1 ZINC000587618443 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(O)c2c1 ZINC000587618468 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(N)c2c1 ZINC000587618501 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(CC(C)C)c2c1 ZINC000587618807 JJ Annotated Reactive Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587618926 JJ Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587618927 JJ Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587618928 JJ Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587618930 JJ Annotated Clean CCCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618977 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)cc(F)c3)c(C#N)c2c1 ZINC000587619063 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccnc(Cl)c3)c(C)c2c1 ZINC000587619075 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(C(C)=O)c2c1 ZINC000587619115 JJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(N1CCOCC1)=CSc1ccccc12 ZINC000587619125 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(N1CCOCC1)=CSc1ccccc12 ZINC000587619131 JJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(N1CCOCC1)=CSc1ccccc12 ZINC000587619136 JJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(N1CCOCC1)=CSc1ccccc12 ZINC000587619138 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587619151 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587619153 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587619154 JJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587619155 JJ Annotated Anodyne COCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cccc(F)c1 ZINC000587619212 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(F)c3)c(OC)c2c1 ZINC000587619213 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C3(C)CC3)c2c1 ZINC000587619219 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3F)c2c1 ZINC000587619234 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3O)c(C)c2c1 ZINC000587619258 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(C3CC3)c2c1 ZINC000587619350 JJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCBr)c(C)c2c1 ZINC000587619386 JJ Annotated Reactive Nc1nc2c(s1)[C@]1(C[C@H](c3ccccc3)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619404 JJ Annotated Anodyne Nc1nc2c(s1)[C@]1(C[C@H](c3ccccc3)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619405 JJ Annotated Anodyne Nc1nc2c(s1)[C@]1(C[C@@H](c3ccccc3)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619408 JJ Annotated Anodyne Nc1nc2c(s1)[C@]1(C[C@@H](c3ccccc3)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619410 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3F)c(C#N)c2c1 ZINC000587619470 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(F)(F)F)c2c1 ZINC000587619487 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCC(F)(F)F)c2c1 ZINC000587619507 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)c(F)c3)c(C)c2c1 ZINC000587619513 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(O)c(F)c3)c(C)c2c1 ZINC000587619545 JJ Annotated Bother COC(=O)c1sc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C ZINC000587619655 JJ Annotated Anodyne COC(=O)c1sc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C ZINC000587619660 JJ Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C ZINC000587619661 JJ Annotated Anodyne COC(=O)c1sc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C ZINC000587619663 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587619824 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587619825 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587619826 JJ Annotated Anodyne O=C(O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587619827 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619903 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619904 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619905 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619906 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(C#N)c2c1 ZINC000587619955 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C(=O)O)ccc3F)c(C)c2c1 ZINC000587620010 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3O)c(C)c2c1 ZINC000587620021 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(SC)c2c1 ZINC000587620030 JJ Annotated Bother Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620120 JJ Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620121 JJ Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620122 JJ Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620123 JJ Annotated Anodyne COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620166 JJ Annotated Anodyne CCCCc1c(-c2cn(C)nc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620169 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccccc3F)c2c1 ZINC000587620177 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C(=O)C(F)F)c2c1 ZINC000587620178 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)c(F)c3)c(C#N)c2c1 ZINC000587620180 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccccn3)c2c1 ZINC000587620217 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620254 JJ Annotated Bother COCc1c(Cc2cccc(F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620297 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(F)c3)c2c1 ZINC000587620439 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncccc3C)c(C)c2c1 ZINC000587620452 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C#N)c2c1 ZINC000587620458 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(C#N)c2c1 ZINC000587620537 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(C#N)c2c1 ZINC000587620552 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccco3)c2c1 ZINC000587620574 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-n3ccnc3)c2c1 ZINC000587620606 JJ Annotated Bother CCc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)cc1 ZINC000587620626 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)F)c(C)c2c1 ZINC000587620675 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccccc3F)c2c1 ZINC000587620676 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(F)c3)c(C#N)c2c1 ZINC000587620700 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccncc3)c2c1 ZINC000587620701 JJ Annotated Bother CCc1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620714 JJ Annotated Bother CCc1c(-c2ncccc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620717 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C#N)c2c1 ZINC000587620734 JJ Annotated Mild COc1ccc(Br)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(=O)O ZINC000587620761 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccn(C(C)C)n3)c2c1 ZINC000587620768 JJ Annotated Bother CCCc1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620772 JJ Annotated Bother CCOc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N)cc1 ZINC000587620777 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(C)ccn3)c2c1 ZINC000587620812 JJ Annotated Bother CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Br)cc1 ZINC000587620814 JJ Annotated Anodyne CCCOc1ccccc1-c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1N ZINC000587620830 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCC[C@@H]3C)c2c1 ZINC000587620831 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCC[C@H]3C)c2c1 ZINC000587620834 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3C)c2c1 ZINC000587620868 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C#N)cc3)c(C)c2c1 ZINC000587620880 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C)c(C#N)c2c1 ZINC000587620918 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(C)n3)c2c1 ZINC000587620928 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(C)cn3)c2c1 ZINC000587620959 JJ Annotated Bother CCc1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620962 JJ Annotated Bother COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Br)cc1 ZINC000587620978 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621034 JJ Annotated Reactive Brc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCNCC2)cc1 ZINC000587621036 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(-c3ccccn3)c2c1 ZINC000587621068 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCCCC3)c2c1 ZINC000587621078 JJ Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OC(C)(C)C ZINC000587621100 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCCCC3)c(C#N)c2c1 ZINC000587621107 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CC#N)c2c1 ZINC000587621108 JJ Annotated Mild CCc1c(-c2cn(CC)nc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621154 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3cccc(F)c3)c2c1 ZINC000587621194 JJ Annotated Bother CCc1c(-c2ccc(N)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621197 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Oc3ccccc3[N+](=O)[O-])c2c1 ZINC000587621208 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(N(C)C)cc3)c(C)c2c1 ZINC000587621209 JJ Annotated Clean COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(F)cc3)c2c1 ZINC000587621272 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(C)=O)c2c1 ZINC000587621273 JJ Annotated Bother O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621344 JJ Annotated Anodyne CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587621424 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ncccc3C)c2c1 ZINC000587621426 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c([C@@H](C)C#N)c2c1 ZINC000587621436 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c([C@H](C)C#N)c2c1 ZINC000587621438 JJ Annotated Mild CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621453 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)oc3C)c(C#N)c2c1 ZINC000587621478 JJ Annotated Mild CCCc1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621479 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000587621506 JJ Annotated Bother COCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621514 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([C@H](C)OC)cc3)c(N)c2c1 ZINC000587621533 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([C@@H](C)OC)cc3)c(N)c2c1 ZINC000587621535 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(C)=O)c2c1 ZINC000587621590 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(N=O)c2c1 ZINC000587621601 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(OC(C)=O)c2c1 ZINC000587621614 JJ Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C)c3)c(C#N)c2c1 ZINC000587621616 JJ Annotated Mild COCCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621626 JJ Annotated Bother CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1Br ZINC000587621630 JJ Annotated Anodyne O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621674 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc(F)cc3)c2c1 ZINC000587621718 JJ Annotated Bother O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621737 JJ Annotated Anodyne COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC#N)cc1 ZINC000587621762 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H]3[C@H](CC#N)C3(C)C)c2c1 ZINC000587621775 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H]3[C@@H](CC#N)C3(C)C)c2c1 ZINC000587621778 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H]3[C@@H](CC#N)C3(C)C)c2c1 ZINC000587621779 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H]3[C@H](CC#N)C3(C)C)c2c1 ZINC000587621780 JJ Annotated Mild O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621792 JJ Annotated Anodyne O=C(NC1CC1)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621853 JJ Annotated Anodyne CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587621859 JJ Annotated Anodyne NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587621868 JJ Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621874 JJ Annotated Anodyne CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587621905 JJ Annotated Anodyne O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622018 JJ Annotated Anodyne O=C(NC1CC1)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Cl)cc1 ZINC000587622037 JJ Annotated Anodyne O=C(O)CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(=O)c1ccc(Cl)cc1 ZINC000587622044 JJ Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cc1OC ZINC000587622135 JJ Annotated Anodyne CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622142 JJ Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622176 JJ Annotated Anodyne COC(=O)c1c(-c2cccc(I)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622210 JJ Annotated Anodyne N#Cc1c(-c2cccc(I)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622260 JJ Annotated Mild Oc1c(-c2ccc(I)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622276 JJ Annotated Anodyne CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622296 JJ Annotated Anodyne O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622304 JJ Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(I)cc1 ZINC000587622318 JJ Annotated Anodyne Nc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1C(=O)c2ccccc2C1=O ZINC000587622401 JJ Annotated Anodyne N#Cc1c(-c2ccccc2I)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622548 JJ Annotated Mild N#Cc1c(-c2ccc(I)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622724 JJ Annotated Mild Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622957 JJ Annotated Anodyne CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623080 JJ Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623091 JJ Annotated Anodyne COc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1OC ZINC000587623092 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCC1OCCO1 ZINC000587623189 JJ Annotated Anodyne CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623334 JJ Annotated Anodyne CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623336 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12)c1ccccc1C ZINC000587623398 JJ Annotated Anodyne COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623461 JJ Annotated Anodyne COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623462 JJ Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000587623476 JJ Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)OCc1ccccc1 ZINC000587623533 JJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)OCC)c1C ZINC000587623837 JJ Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4c3c(Br)cc3n[nH]cc34)c(=O)c2c1 ZINC000587624178 JJ Annotated Anodyne COC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CNC(=O)OC(C)(C)C ZINC000587626558 JJ Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587627818 JJ Annotated Anodyne COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628448 JJ Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2C1=O ZINC000587628504 JJ Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000587628719 JJ Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cc(Cl)c(F)cc12 ZINC000587631048 JJ Annotated Reactive O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2ccc(F)c(Cl)c12 ZINC000587631191 JJ Annotated Reactive CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cccc(F)c23)n1 ZINC000587634884 JJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cc(F)ccc23)n1 ZINC000587634909 JJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3cc(F)ccc23)n1 ZINC000587634972 JJ Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cccc(F)c23)c(C(=O)OCC)n1 ZINC000587636143 JJ Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cc(F)ccc23)c(C(=O)OCC)n1 ZINC000587636383 JJ Annotated Anodyne Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587637483 JJ Annotated Mild CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637504 JJ Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(I)cc3)[nH]c12 ZINC000587637582 JJ Annotated Anodyne O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637726 JJ Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C(=O)O)cccc2c1CC(=O)c1ccc(Br)cc1 ZINC000587637859 JJ Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587639009 JJ Annotated Bother Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587639010 JJ Annotated Bother Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587639013 JJ Annotated Bother Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587639015 JJ Annotated Bother CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587639192 JJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639266 JJ Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(C[C@@]3(C(=O)OC)CN(C(=O)OC(C)(C)C)CCC3=O)c2c1 ZINC000587642586 JJ Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(C[C@]3(C(=O)OC)CN(C(=O)OC(C)(C)C)CCC3=O)c2c1 ZINC000587642587 JJ Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(C[C@]3(C(=O)OC)CN(C(=O)OC(C)(C)C)CCC3=O)c2c1 ZINC000587642588 JJ Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(C[C@@]3(C(=O)OC)CN(C(=O)OC(C)(C)C)CCC3=O)c2c1 ZINC000587642589 JJ Annotated Anodyne CCOC(=O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)c1ccc(Br)cc1 ZINC000587643331 JJ Annotated Bother CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643641 JJ Annotated Bother CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644038 JJ Annotated Bother CCOC(=O)CCc1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)c1ccc(Br)cc1 ZINC000587644261 JJ Annotated Bother CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644352 JJ Annotated Bother CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644498 JJ Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000587644898 JJ Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000587645121 JJ Annotated Bother O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645528 JJ Annotated Bother O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646192 JJ Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587646868 JJ Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587646878 JJ Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587646880 JJ Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587646881 JJ Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000587646966 JJ Annotated Bother Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587647073 JJ Annotated Mild Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587647577 JJ Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587647579 JJ Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587647580 JJ Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587647581 JJ Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000587647662 JJ Annotated Bother Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587647874 JJ Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000587649202 JJ Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649689 JJ Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649704 JJ Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587649821 JJ Annotated Mild COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649924 JJ Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587649959 JJ Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587650037 JJ Annotated Mild COc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587650138 JJ Annotated Anodyne CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650185 JJ Annotated Bother COc1ccc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1OC ZINC000587651089 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651182 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651183 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651184 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651186 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651368 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651370 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651372 JJ Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651375 JJ Annotated Anodyne Cc1cc(Br)cc(Br)c1OCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651435 JJ Annotated Anodyne Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587651467 JJ Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651482 JJ Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2n1 ZINC000587651636 JJ Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587651879 JJ Annotated Anodyne O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651942 JJ Annotated Anodyne COc1ccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c3ccccc3n2)cc1OC ZINC000587652167 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)n1 ZINC000587652211 JJ Annotated Anodyne CCn1nc(C)c2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc(-c3ccc(C)cc3)nc21 ZINC000587652240 JJ Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652244 JJ Annotated Anodyne Cc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Br ZINC000587653015 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587653072 JJ Annotated Anodyne O=C(COc1ccccc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653077 JJ Annotated Anodyne O=C(c1cc(Br)cc([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653102 JJ Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Br)cc2n[nH]cc12 ZINC000587653172 JJ Annotated Anodyne O=C(Cc1ccccc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653195 JJ Annotated Anodyne O=C(c1ccn(COc2ccc(-c3ccccc3)cc2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653230 JJ Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653646 JJ Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Br ZINC000587653772 JJ Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Br ZINC000587653775 JJ Annotated Anodyne Cc1ccc(CSc2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)s2)cc1 ZINC000587654187 JJ Annotated Anodyne O=C(Cc1ccc(Br)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654216 JJ Annotated Anodyne Cc1c(Br)ccc2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cn12 ZINC000587654251 JJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Br)cn1 ZINC000587654351 JJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Br)cn1 ZINC000587654355 JJ Annotated Anodyne COc1ccc(Br)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587654550 JJ Annotated Anodyne Cc1cc2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cn2cc1Br ZINC000587654577 JJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc(Br)cc2[nH]1 ZINC000587654615 JJ Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Br ZINC000587654630 JJ Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Br ZINC000587654631 JJ Annotated Anodyne O=C(c1ccnn1COc1ccccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654687 JJ Annotated Anodyne Cc1cc(Br)cn2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587654766 JJ Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1-c1ccc(F)cc1 ZINC000587655250 JJ Annotated Anodyne Nc1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(-c2ccc(F)cc2)s1 ZINC000587655266 JJ Annotated Anodyne O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655317 JJ Annotated Anodyne Cn1nc(C(F)(F)F)c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc21 ZINC000587655327 JJ Annotated Anodyne Nc1c(Cl)c(Cl)nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Cl ZINC000587655350 JJ Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1-c1ccccc1F ZINC000587655354 JJ Annotated Anodyne O=C(c1ccccc1I)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655408 JJ Annotated Anodyne O=C(c1ccc(Cn2cc(Cl)cn2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655416 JJ Annotated Anodyne O=C(c1cccc(I)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655417 JJ Annotated Anodyne Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655420 JJ Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655425 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655460 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655461 JJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(I)cc1 ZINC000587655463 JJ Annotated Anodyne O=C(c1ccc(F)cc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655477 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655516 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655517 JJ Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnn1-c1ccc(Cl)cc1 ZINC000587655529 JJ Annotated Anodyne O=C(COc1ccc(Br)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655565 JJ Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587655614 JJ Annotated Anodyne Cc1ccc(-c2nnc(CCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)cc1 ZINC000587655639 JJ Annotated Anodyne NNC(=O)CCCCCCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655647 JJ Annotated Reactive O=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655714 JJ Annotated Anodyne O=C(c1cn2cc(C(F)(F)F)ccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655732 JJ Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc(O)c1Cc1ccccc1 ZINC000587655767 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655769 JJ Annotated Anodyne O=C(Cn1nc(C(F)F)cc1C(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655775 JJ Annotated Anodyne Cc1nn(C)cc1-c1cc(C(F)F)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655786 JJ Annotated Anodyne Nc1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(-c2cccc(F)c2)s1 ZINC000587655828 JJ Annotated Anodyne Cc1ccccc1OCn1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655837 JJ Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc1-2 ZINC000587655845 JJ Annotated Anodyne O=C(Cn1nc(C(F)F)cc1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655853 JJ Annotated Anodyne CCOc1ccc(NC(=O)CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587655907 JJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587655998 JJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587655999 JJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587656000 JJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587656001 JJ Annotated Anodyne O=C(Cc1cn2cc(C(F)(F)F)ccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656003 JJ Annotated Anodyne O=C(c1ccc(Cn2cc(Cl)cn2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656026 JJ Annotated Anodyne O=C(c1cc(F)ccc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656030 JJ Annotated Anodyne O=C(c1cc(F)cc(Br)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656064 JJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000587656074 JJ Annotated Anodyne Cn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cn1 ZINC000587656097 JJ Annotated Anodyne O=C(c1ccnn1COc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656100 JJ Annotated Anodyne Cc1cc(C)n(Cc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)n1 ZINC000587656144 JJ Annotated Anodyne Cc1cc(Br)ccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656166 JJ Annotated Anodyne Cc1ccc(-n2ncc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2C)cc1 ZINC000587656246 JJ Annotated Anodyne Cc1cc2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cn2cc1Br ZINC000587656252 JJ Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1[N+](=O)[O-] ZINC000587656257 JJ Annotated Bother Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1[N+](=O)[O-] ZINC000587656262 JJ Annotated Bother COc1ccc(Br)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587656267 JJ Annotated Anodyne Cc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Br ZINC000587656294 JJ Annotated Anodyne O=C(c1ccc(Cn2cc(Cl)cn2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656303 JJ Annotated Anodyne O=C(c1ccn(COc2cccc(Cl)c2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656622 JJ Annotated Anodyne Cc1cc(Br)cn2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 ZINC000587656629 JJ Annotated Anodyne O=C(c1ccnn1COc1ccccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656640 JJ Annotated Anodyne O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656702 JJ Annotated Bother COc1ccc(Br)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C ZINC000587656706 JJ Annotated Anodyne COc1ccc(OC)c2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587656722 JJ Annotated Anodyne Cc1ccc(C)c(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587656736 JJ Annotated Anodyne Cc1ccccc1-c1noc(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587656788 JJ Annotated Anodyne O=C(COc1ccccc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656881 JJ Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656893 JJ Annotated Anodyne Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 ZINC000587656909 JJ Annotated Anodyne COc1cc(OC)c(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Cl ZINC000587656959 JJ Annotated Anodyne Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587657030 JJ Annotated Anodyne Cc1cc(C)cc(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587657071 JJ Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657090 JJ Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657091 JJ Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Br ZINC000587657215 JJ Annotated Anodyne Cc1nn(C[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Br ZINC000587657216 JJ Annotated Anodyne COc1cc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)cc1Cl ZINC000587657224 JJ Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Br ZINC000587657245 JJ Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Br ZINC000587657246 JJ Annotated Anodyne Cc1c(Br)ccc2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cn12 ZINC000587657257 JJ Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c(C)c1Cl ZINC000587657279 JJ Annotated Anodyne O=C(c1ccnn1COc1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657280 JJ Annotated Anodyne O=C(COc1ccc(Br)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657282 JJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC000587657306 JJ Annotated Anodyne Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587657324 JJ Annotated Bother Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587657325 JJ Annotated Bother Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c(C)nn(C(C)C)c2n1 ZINC000587657392 JJ Annotated Anodyne O=C(c1cc(Br)c(Br)[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657527 JJ Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(C)nc21 ZINC000587657533 JJ Annotated Anodyne Nc1c(Cl)c(Cl)nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1Cl ZINC000587657750 JJ Annotated Anodyne O=C(c1cc(Br)cc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657786 JJ Annotated Bother Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Br ZINC000587657801 JJ Annotated Anodyne O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657845 JJ Annotated Anodyne NNC(=O)CCCCCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657866 JJ Annotated Reactive Nc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(-c2ccc(F)cc2)s1 ZINC000587657882 JJ Annotated Anodyne O=C(COc1ccc(Br)cc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657935 JJ Annotated Anodyne Cn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2ccccc21 ZINC000587658020 JJ Annotated Anodyne COc1cc2[nH]c3c(-n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)ncnc3c2cc1OC ZINC000587658044 JJ Annotated Anodyne CCc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)cc1 ZINC000587658056 JJ Annotated Anodyne Cc1nn(C)cc1-c1cc(C(F)F)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587658110 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cn1 ZINC000587658133 JJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCCc1ccc(Cl)cc1 ZINC000587658193 JJ Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Cl)cc1S(C)(=O)=O ZINC000587658215 JJ Annotated Anodyne Cn1nc(C(F)(F)F)c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc21 ZINC000587658282 JJ Annotated Anodyne Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587658290 JJ Annotated Anodyne O=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658302 JJ Annotated Anodyne O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658330 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658337 JJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658338 JJ Annotated Anodyne CC(C)(C)OC(=O)NCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658340 JJ Annotated Anodyne Cc1c(Br)c(C(F)F)nn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658369 JJ Annotated Anodyne CC(=O)Nc1cccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587658407 JJ Annotated Anodyne O=C(COc1ccc(OC(F)(F)F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658548 JJ Annotated Anodyne CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587658768 JJ Annotated Anodyne COc1cc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(OC)c1OC ZINC000587658840 JJ Annotated Anodyne CN(CCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 ZINC000587658859 JJ Annotated Anodyne O=C(c1cn2cc(C(F)(F)F)ccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658891 JJ Annotated Anodyne O=C(Cc1cn2cc(C(F)(F)F)ccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658930 JJ Annotated Anodyne Cc1ccc(-c2nnc(CCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)cc1 ZINC000587658953 JJ Annotated Anodyne Nc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(-c2cccc(F)c2)s1 ZINC000587658956 JJ Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)cc1 ZINC000587658990 JJ Annotated Anodyne Cc1ccccc1-c1noc(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587659100 JJ Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587659168 JJ Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c(=O)oc2c1 ZINC000587659709 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(C(=O)NN)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587659958 JJ Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587659974 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660163 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587660212 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587660216 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ncccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660222 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COCC)c(=O)c3ccccc23)c(O)c1 ZINC000587660258 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660263 JJ Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cnc2s1 ZINC000587660401 JJ Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cnc2s1 ZINC000587660405 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccncc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587660452 JJ Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(C)nc21 ZINC000587660454 JJ Annotated Anodyne O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660500 JJ Annotated Bother CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587660532 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587660535 JJ Annotated Anodyne Cc1nn(Cc2ccccc2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587660543 JJ Annotated Bother Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c(C)c1[N+](=O)[O-] ZINC000587660584 JJ Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660611 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660615 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660638 JJ Annotated Anodyne Cc1cc(C)n(Cc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)n1 ZINC000587660703 JJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccccc1 ZINC000587660792 JJ Annotated Anodyne Cc1noc2nc(-c3ccco3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587660819 JJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660873 JJ Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587660973 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660977 JJ Annotated Anodyne CC(C)CCn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587660985 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661037 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cocn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661081 JJ Annotated Anodyne COc1cc2[nH]c3c(-n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)ncnc3c2cc1OC ZINC000587661103 JJ Annotated Anodyne O=C(c1ccc(COc2cccc([N+](=O)[O-])c2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661135 JJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661484 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661535 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)NN)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661546 JJ Annotated Reactive Cn1nc(C2CC2)c2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(C3CC3)nc21 ZINC000587661550 JJ Annotated Anodyne O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661565 JJ Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)cc1 ZINC000587661589 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661773 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccon3)c(=O)c3ccccc23)c(O)c1 ZINC000587661791 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc(C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661798 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661801 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661811 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)cc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661822 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnco3)c(=O)c3ccccc23)c(O)c1 ZINC000587661834 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(O)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661875 JJ Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)nn(C(C)C)c2n1 ZINC000587661897 JJ Annotated Anodyne Cc1cc(C)n(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)n1 ZINC000587661937 JJ Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000587661963 JJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661976 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661978 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCNCC)c(=O)c3ccccc23)c(O)c1 ZINC000587662027 JJ Annotated Anodyne Cc1ccc(C)c(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 ZINC000587662045 JJ Annotated Anodyne O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662049 JJ Annotated Bother Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587662096 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)OCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587662156 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)OCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587662158 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662162 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662165 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC3(C)OCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587662235 JJ Annotated Anodyne O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662307 JJ Annotated Bother Cc1cc(C)cc(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 ZINC000587662330 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCO)c(=O)c3ccccc23)c(O)c1 ZINC000587662509 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587663032 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC(=O)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587663123 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@@H](C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587663143 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@H](C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587663144 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c[nH]nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663347 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663399 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4[nH]cnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663442 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4nnc(C)n4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663460 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663506 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663528 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663556 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4nncn4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663568 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)n(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663738 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(O)c4c[nH]nc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663740 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn[nH]c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663771 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663781 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663796 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663799 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663810 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cc[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663818 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663956 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663977 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663999 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c3cnn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587664038 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664044 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]cnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664109 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664165 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664209 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664222 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664264 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664266 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-c4cnco4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664293 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664306 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587664364 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664469 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587664474 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCC)c(=O)c3ccccc23)c(O)c1 ZINC000587664540 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(O)cc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664631 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664641 JJ Annotated Bother CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)o1 ZINC000587664708 JJ Annotated Anodyne CCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587664718 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664739 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cc(N)ccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664754 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ncoc3C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587664760 JJ Annotated Anodyne CCOC(=O)c1ccc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587664796 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)OC(C)(C)C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664807 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587664820 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664824 JJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664826 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664828 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664871 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664872 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cncc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664893 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587664900 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665036 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587665056 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4cccc(O)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665081 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc4ncccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665087 JJ Annotated Anodyne CCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1OC ZINC000587665141 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(N(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665149 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665185 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587665224 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665241 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665351 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4cc(Cl)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665352 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665413 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665420 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)O)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665424 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587665429 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587665446 JJ Annotated Anodyne C=CCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665447 JJ Annotated Mild CCN(CC)c1ccc(-c2nn(Cc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665470 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665513 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665573 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665612 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665619 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665662 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587665721 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587665722 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665726 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665742 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(Br)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665806 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc(C)o4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665947 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccco4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665982 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4ncccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666002 JJ Annotated Anodyne CCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666013 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(O)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587666022 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)C4CC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666031 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)OC)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666035 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)OCc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666042 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)nc(-c4ccccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666048 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H](C)COC)c(=O)c3ccccc23)c(O)c1 ZINC000587666049 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666051 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3-c3nc(C4CC4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587666053 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@H](C)COC)c(=O)c3ccccc23)c(O)c1 ZINC000587666054 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN[C@@H](C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666094 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN[C@H](C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666095 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666104 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587666112 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCO[C@@H]3C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666113 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cncc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666128 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666150 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666154 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666169 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C(F)(F)F)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666190 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666225 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666236 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3noc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666237 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666247 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666251 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666256 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)nn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666284 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666292 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666304 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666320 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666322 JJ Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587666410 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Br)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666413 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c[nH]c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666434 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Br)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666438 JJ Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)n1 ZINC000587666444 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587666445 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCN(Cc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666458 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCN(Cc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666460 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666469 JJ Annotated Anodyne CCc1nc2ccccc2n1CC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587666517 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc4c(n3)[nH]c3c(C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666528 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3CCCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666533 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3c(C)nc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587666548 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)c(C(=O)O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666583 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)co3)c(=O)c3ccccc23)c(O)c1 ZINC000587666588 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587666617 JJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc(Cl)cn1 ZINC000587666644 JJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc(Cl)cn1 ZINC000587666645 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666785 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666850 JJ Annotated Anodyne CCc1ccccc1OCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587666851 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3c(C)cccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666874 JJ Annotated Anodyne CCc1ccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587666899 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4ccc(F)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666901 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCNc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666915 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncn3-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666921 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666948 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666955 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666957 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666961 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666994 JJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=S)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667100 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc4[nH]ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667110 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cn(CC)nc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667130 JJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667308 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)OC)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667320 JJ Annotated Anodyne CCOc1ccc(NCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667324 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667334 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667353 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667355 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667357 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667368 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3ccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667370 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3ccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667371 JJ Annotated Anodyne CCOc1ccccc1OCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667383 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667388 JJ Annotated Anodyne CCOc1ccccc1C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667390 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667402 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667405 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667406 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCN3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667456 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCN3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667457 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667496 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667500 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667533 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667534 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667537 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667546 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667549 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(F)(F)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667555 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667563 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667578 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667579 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)cc(C(=O)N(C)C)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667584 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667590 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCOc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667624 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667635 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3c[nH]c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667647 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3ccc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587667651 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCCc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587667669 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3nc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667676 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667779 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667791 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667792 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(F)cc(F)c3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667798 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3c(F)cccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667800 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667818 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667819 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667828 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667829 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667831 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587667832 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OC(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587667841 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667845 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCC(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667853 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667867 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCC(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667869 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667874 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn(C)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667955 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667960 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667975 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cc(F)ccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667984 JJ Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667996 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668003 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)C(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668015 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668026 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668027 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)cc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668030 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587668075 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc4cc[nH]c34)c(=O)c3ccccc23)c(O)c1 ZINC000587668090 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)co3)c(=O)c3ccccc23)cc1OCC ZINC000587668122 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668186 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Br)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668188 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Cl)cn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668201 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)cn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668247 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668257 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(Cl)c(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668273 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)c(C)nc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668277 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc(Cl)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668281 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Cl)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668282 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668291 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668297 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4cc(Cl)ccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668307 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Cl)ncc3C(=O)OC)c(=O)c3ccccc23)cc1OCC ZINC000587668316 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnccc3C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668322 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(-c4ccccc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668328 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3Cc4ccccc4O3)c(=O)c3ccccc23)cc1OCC ZINC000587668332 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3Cc4ccccc4O3)c(=O)c3ccccc23)cc1OCC ZINC000587668334 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587668336 JJ Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668374 JJ Annotated Bother CCOc1ccc(-c2nn(C(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c(=O)c3ccccc23)cc1OCC ZINC000587668377 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)c[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587668395 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4ccc(C)cc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668429 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(-c4ccccc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668454 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587668467 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(N(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668505 JJ Annotated Anodyne CCc1nc(C)c(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)s1 ZINC000587668538 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668562 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(C)(C)C)n[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587668646 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587668649 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccccc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668701 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(F)c(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668714 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(OC)ccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587668723 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cncn3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668727 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3ccccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587668743 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587668744 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668749 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3ccc(O)c(O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668785 JJ Annotated Clean CCOc1ccc(-c2nn(C(=O)CCc3ccc(O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668806 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NOCc3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668821 JJ Annotated Anodyne CCOc1ccc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587668823 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3oc(-c4ccccc4)nc3C(N)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668827 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4cc(N)ccc4o3)c(=O)c3ccccc23)cc1OCC ZINC000587668831 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(O)cc4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587668856 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587668866 JJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668897 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668913 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668920 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccco4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587668973 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc(CC)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669038 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669062 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3CCCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669072 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C(F)(F)F)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587669080 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3nc4ccccc4[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587669093 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669121 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587669125 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Cl)ccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587669131 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCCc3cccs3)c(=O)c3ccccc23)cc1OCC ZINC000587669146 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C([C@H](C)Br)([C@H](C)Br)N1 ZINC000587669182 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C([C@@H](C)Br)([C@@H](C)Br)N1 ZINC000587669186 JJ Annotated Reactive C[C@H](Br)[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669188 JJ Annotated Reactive C[C@H](Br)C1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669190 JJ Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)NCc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669207 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCCc4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587669236 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ncccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587669258 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(C)nc4sccn34)c(=O)c3ccccc23)cc1OCC ZINC000587669295 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587669314 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(-c4cccc(OC)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669329 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4scc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587669333 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nnc(-c4ccccc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669345 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587669348 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccco4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669353 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(=O)O)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587669356 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(=O)OC)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587669357 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669358 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(OC)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587669420 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cccnc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669427 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc(C)cc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669444 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cncc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669446 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587669506 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669512 JJ Annotated Anodyne CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669543 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669545 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669547 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669548 JJ Annotated Reactive CCOc1ccc(-c2nn(-c3nnc(C(F)(F)F)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669574 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3c(C)nc4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587669586 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cnc4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587669632 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cn(CC)nc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669635 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669636 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)nc(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669637 JJ Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)n1 ZINC000587669670 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(C)nc4ccccn34)c(=O)c3ccccc23)cc1OCC ZINC000587669702 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3nc4ccccc4n3C)c(=O)c3ccccc23)cc1OCC ZINC000587669746 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669780 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)Br)N1 ZINC000587669805 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)Br)N1 ZINC000587669808 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)Br)N1 ZINC000587669810 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)Br)N1 ZINC000587669812 JJ Annotated Reactive CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587669830 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(-c4ccccn4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669846 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587669897 JJ Annotated Bother CCOc1ccc(-c2nn(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669953 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CSc3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587669956 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)cc1OCC ZINC000587669979 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669985 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670032 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4c(=O)[nH]ccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587670048 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587670053 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=S)NC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587670076 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSC(=S)N3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670143 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc4c(n3)[nH]c3c(C)cccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670173 JJ Annotated Anodyne CCOc1ccc(-c2nn(C3CN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670250 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)CC(=O)O)N1 ZINC000587670270 JJ Annotated Reactive CCOc1ccc(-c2nn(-c3cc(C(=O)OC)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670281 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)CC(=O)O)N1 ZINC000587670295 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 ZINC000587670296 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 ZINC000587670298 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4onc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587670353 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670382 JJ Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccc(CN(CC)CC)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670400 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ncoc3C(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670423 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670429 JJ Annotated Bother CCOc1ccc(-c2nn(C(=O)CNc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587670431 JJ Annotated Bother CCOc1ccc(-c2nn(-c3nnc(-c4ccccn4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587670547 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(N(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670568 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)cc(C(=O)N(C)C)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670571 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670607 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cncn3-c3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670609 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670616 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670654 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4cc5c(cc4s3)OCO5)c(=O)c3ccccc23)c(O)c1 ZINC000587670672 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4sccc4cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587670678 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3OCC)c(=O)c3ccccc23)cc1OCC ZINC000587670679 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587670709 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4c(C)csc34)c(=O)c3ccccc23)c(O)c1 ZINC000587670777 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H]3CCCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670799 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@H]3CCCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670800 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H]3CCCC[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670801 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@H]3CCCC[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670804 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(F)ccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670834 JJ Annotated Anodyne CCOC(=O)c1sc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nc1C ZINC000587670841 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587670897 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3N)c(=O)c3ccccc23)cc1OCC ZINC000587670899 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccco4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670916 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670932 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)CN3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670940 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670941 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(C)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670991 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)CN3CCC(C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670999 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)CN3CCC(C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587671000 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587671003 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671021 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671030 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671123 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671124 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4c(C)cccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587671125 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3noc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671131 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671181 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671194 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(F)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587671197 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671207 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671222 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671240 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccnc3SC)c(=O)c3ccccc23)cc1OCC ZINC000587671282 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671299 JJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587671300 JJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Cl)nc(SC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587671329 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)/C(=C\c3ccccc3)NC(C)=O)c(=O)c3ccccc23)cc1OCC ZINC000587671338 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)/C(=C/c3ccccc3)NC(C)=O)c(=O)c3ccccc23)cc1OCC ZINC000587671339 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671360 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN[C@@H](C)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671379 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN[C@H](C)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671381 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671384 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671386 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(=O)OC)ccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671399 JJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(N)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671440 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C([C@H](C)Br)([C@H](C)Br)N1 ZINC000587671450 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C([C@@H](C)Br)([C@@H](C)Br)N1 ZINC000587671451 JJ Annotated Reactive C[C@H](Br)[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671452 JJ Annotated Reactive C[C@H](Br)C1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671453 JJ Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)NCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671465 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 ZINC000587671470 JJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671471 JJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671472 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 ZINC000587671473 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)Br)N1 ZINC000587671478 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)Br)N1 ZINC000587671479 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)Br)N1 ZINC000587671480 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)Br)N1 ZINC000587671481 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3ccc(OC)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587671531 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 ZINC000587671550 JJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671552 JJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671553 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)([C@@H](C)Br)N1 ZINC000587671554 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=S)NCCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671599 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671636 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671655 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671659 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc(N(C)C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671680 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671690 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671709 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671713 JJ Annotated Anodyne COC(=O)c1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671714 JJ Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671715 JJ Annotated Reactive COC(=O)c1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671716 JJ Annotated Reactive COC(=O)c1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671717 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCOc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671719 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671735 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(OC)cccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587671741 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671744 JJ Annotated Anodyne COc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587671753 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587671754 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587671756 JJ Annotated Reactive COc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587671757 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671832 JJ Annotated Anodyne Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671875 JJ Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671877 JJ Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671878 JJ Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671879 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671880 JJ Annotated Anodyne Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587671916 JJ Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587671923 JJ Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587671924 JJ Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587671925 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)cc1OCC ZINC000587671994 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCc3cccs3)c(=O)c3ccccc23)cc1OCC ZINC000587672000 JJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672013 JJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672015 JJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672016 JJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672017 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672105 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672111 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672113 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672115 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 ZINC000587672131 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)CC(=O)O)N1 ZINC000587672132 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587672135 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587672136 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587672137 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587672138 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2COc3ccccc3O2)N1 ZINC000587672179 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2COc3ccccc3O2)N1 ZINC000587672180 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@H]2COc3ccccc3O2)N1 ZINC000587672181 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2COc3ccccc3O2)N1 ZINC000587672182 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672191 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672192 JJ Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672193 JJ Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672194 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)CC(=O)O)N1 ZINC000587672209 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 ZINC000587672210 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672227 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672229 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672231 JJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672232 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672281 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)NCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672314 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672316 JJ Annotated Anodyne Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672327 JJ Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672328 JJ Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672329 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)COCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672330 JJ Annotated Anodyne Cc1ccc([C@]2([C@H](Br)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672331 JJ Annotated Reactive CCOC(=O)c1sc(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)nc1C ZINC000587672334 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587672384 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587672388 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587672390 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587672392 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(OC)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587672396 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587672435 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587672436 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587672437 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587672438 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587672445 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587672446 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587672447 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587672450 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587672494 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587672495 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587672496 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587672499 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)CNc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672509 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672527 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672531 JJ Annotated Anodyne COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587672535 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587672537 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587672539 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587672540 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cccc(OC)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587672563 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(OC)c3OC)c(=O)c3ccccc23)cc1OCC ZINC000587672564 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(F)cccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587672566 JJ Annotated Anodyne CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672617 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672620 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672622 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672623 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672655 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672657 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672658 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672659 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587672660 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587672661 JJ Annotated Reactive CCOc1ccc(-c2nn(-c3ncnc4ccc(F)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587672662 JJ Annotated Anodyne COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587672663 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587672664 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672665 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672667 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672669 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587672670 JJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(F)ccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587672701 JJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCO[C@@H]3C(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587672740 JJ Annotated Anodyne COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587672777 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587672778 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587672779 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587672780 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2COc3ccccc3O2)N1 ZINC000587672837 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2COc3ccccc3O2)N1 ZINC000587672838 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2COc3ccccc3O2)N1 ZINC000587672839 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2COc3ccccc3O2)N1 ZINC000587672840 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587672975 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587672976 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587672977 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587672978 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672980 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672982 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672983 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587672984 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587673006 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587673008 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587673009 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587673010 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673015 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673016 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673017 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673018 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673075 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673076 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673077 JJ Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673078 JJ Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587673165 JJ Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587673166 JJ Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587673167 JJ Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587673168 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587673210 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587673212 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587673214 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c[nH]c3ncccc23)N1 ZINC000587673216 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673243 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673246 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673247 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673248 JJ Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673267 JJ Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673268 JJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673269 JJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673270 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587673331 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587673332 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587673333 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587673334 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587673405 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587673406 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587673407 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587673408 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673409 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673410 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673411 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673412 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587673435 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587673446 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587673447 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587673448 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673453 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673454 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673455 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673456 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587673457 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587673458 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587673459 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587673460 JJ Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr ZINC000587673477 JJ Annotated Reactive COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr ZINC000587673478 JJ Annotated Reactive COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr ZINC000587673479 JJ Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCBr ZINC000587673480 JJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673493 JJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673494 JJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673495 JJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673496 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587673501 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587673502 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587673503 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587673504 JJ Annotated Reactive COc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587673517 JJ Annotated Clean COc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587673518 JJ Annotated Clean COc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587673519 JJ Annotated Clean COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587673520 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673521 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673522 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673523 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587673524 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587673597 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587673600 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587673601 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587673602 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587673603 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587673604 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587673605 JJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587673606 JJ Annotated Reactive COc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587673627 JJ Annotated Clean COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587673629 JJ Annotated Clean COc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587673631 JJ Annotated Clean COc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587673633 JJ Annotated Clean CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673651 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673652 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673653 JJ Annotated Reactive CCOC(=O)c1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673654 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587673713 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587673714 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587673758 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587673760 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673925 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673926 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673927 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CBr)c2)N1 ZINC000587673928 JJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674115 JJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674117 JJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674119 JJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587674120 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674153 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674154 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674155 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674156 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587674215 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587674216 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587674217 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc3ccccc3oc2=O)N1 ZINC000587674218 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674219 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674220 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674221 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674222 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587674251 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587674252 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587674253 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587674254 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587674275 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587674276 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587674277 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)OCCCO3)N1 ZINC000587674278 JJ Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674283 JJ Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674284 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674285 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674286 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587674287 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587674288 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587674289 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587674290 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587674327 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587674328 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587674329 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1 ZINC000587674330 JJ Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674351 JJ Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674352 JJ Annotated Reactive COC(=O)c1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674353 JJ Annotated Reactive COC(=O)c1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674354 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587674411 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587674413 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587674415 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnn(-c3ccccc3)c2)N1 ZINC000587674416 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587674445 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587674446 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587674447 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N(C)C)cc2)N1 ZINC000587674448 JJ Annotated Reactive COc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587674449 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587674450 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587674451 JJ Annotated Reactive COc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587674453 JJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674455 JJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674456 JJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674457 JJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674458 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587674459 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587674460 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587674461 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587674462 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587674477 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587674478 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587674479 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1 ZINC000587674481 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674601 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674602 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674603 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587674604 JJ Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr ZINC000587674613 JJ Annotated Reactive COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr ZINC000587674614 JJ Annotated Reactive COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr ZINC000587674615 JJ Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCBr ZINC000587674616 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587674637 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587674638 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587674639 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)OCCO3)N1 ZINC000587674640 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587674695 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587674696 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587674697 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)CCO3)N1 ZINC000587674698 JJ Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674743 JJ Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674744 JJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674745 JJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674746 JJ Annotated Reactive COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675243 JJ Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675244 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675245 JJ Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675246 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC#N ZINC000587675287 JJ Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC#N ZINC000587675288 JJ Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC#N ZINC000587675289 JJ Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCC#N ZINC000587675290 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587675327 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587675328 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587675329 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587675330 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675439 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675440 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675441 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675442 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675471 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675472 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675473 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675474 JJ Annotated Clean COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675479 JJ Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675480 JJ Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675481 JJ Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675482 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587675552 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587675554 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587675555 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587675556 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587675598 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587675599 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587675600 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587675601 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)(c3cccc(Br)c3)C2)N1 ZINC000587675659 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)(c3cccc(Br)c3)C2)N1 ZINC000587675672 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2[C@H]2CCCCO2)N1 ZINC000587675677 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2[C@@H]2CCCCO2)N1 ZINC000587675682 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2[C@H]2CCCCO2)N1 ZINC000587675683 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2[C@@H]2CCCCO2)N1 ZINC000587675685 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587675701 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587675724 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587675726 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587675728 JJ Annotated Bother COC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675741 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675742 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675743 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675744 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587675755 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587675757 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587675759 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587675760 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675797 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675798 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675799 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675800 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675809 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675811 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675814 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587675817 JJ Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC#N ZINC000587675822 JJ Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC#N ZINC000587675823 JJ Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC#N ZINC000587675824 JJ Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCC#N ZINC000587675825 JJ Annotated Mild COc1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675830 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675831 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675832 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587675833 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587675870 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587675871 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587675872 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587675873 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587675930 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587675931 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587675932 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587675933 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675958 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675959 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675960 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675961 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587676073 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587676076 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587676077 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587676079 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587676186 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587676187 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587676188 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587676189 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676210 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676211 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676212 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676213 JJ Annotated Anodyne C#CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676226 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676227 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676228 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676229 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)(c3cccc(Br)c3)C2)N1 ZINC000587676406 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)(c3cccc(Br)c3)C2)N1 ZINC000587676407 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676534 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676537 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676539 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676541 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2[C@H]2CCCCO2)N1 ZINC000587676546 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2[C@@H]2CCCCO2)N1 ZINC000587676548 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2[C@@H]2CCCCO2)N1 ZINC000587676550 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2[C@H]2CCCCO2)N1 ZINC000587676552 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676573 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676575 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676577 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676578 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676628 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676630 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676632 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676633 JJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br)C(=O)O ZINC000587676654 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O[C@H](C)C(=O)O)c(Br)c2)N1 ZINC000587676655 JJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br)C(=O)O ZINC000587676656 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O[C@H](C)C(=O)O)c(Br)c2)N1 ZINC000587676657 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587676666 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587676667 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587676668 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587676669 JJ Annotated Clean COC(=O)c1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587676794 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587676795 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587676797 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587676799 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676863 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676864 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676865 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N2CCOCC2)N1 ZINC000587676866 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587676886 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587676893 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587676895 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587676899 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Br ZINC000587676962 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Br ZINC000587676963 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Br ZINC000587676964 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Br ZINC000587676965 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587677099 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587677100 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587677101 JJ Annotated Anodyne COC(=O)c1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587677102 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587677175 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587677178 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587677181 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 ZINC000587677183 JJ Annotated Clean C#CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677192 JJ Annotated Mild C#CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677193 JJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677194 JJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677195 JJ Annotated Mild CCc1cc(Br)cc2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677241 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677243 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677245 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677247 JJ Annotated Anodyne COc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677251 JJ Annotated Clean COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677254 JJ Annotated Clean COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677257 JJ Annotated Clean COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677260 JJ Annotated Clean C#CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677291 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677294 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677297 JJ Annotated Mild C#CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677301 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587677432 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587677433 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587677434 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587677435 JJ Annotated Mild Cc1cc(Br)c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587677456 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587677457 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587677458 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587677459 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587677537 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587677540 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587677543 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587677546 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677667 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677677 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677681 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677683 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(O)nc2/C=C/N(C)C)N1 ZINC000587677712 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(O)nc2/C=C/N(C)C)N1 ZINC000587677723 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Br ZINC000587677725 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(O)nc2/C=C\N(C)C)N1 ZINC000587677727 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Br ZINC000587677728 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(O)nc2/C=C\N(C)C)N1 ZINC000587677730 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Br ZINC000587677731 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Br ZINC000587677734 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587677787 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587677789 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587677793 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587677797 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1Br ZINC000587677820 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1Br ZINC000587677822 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1Br ZINC000587677826 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1Br ZINC000587677829 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677878 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677879 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677881 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677884 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677904 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677905 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677906 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677907 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)cnc2Br)N1 ZINC000587677924 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)cnc2Br)N1 ZINC000587677925 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)cnc2Br)N1 ZINC000587677926 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)cnc2Br)N1 ZINC000587677927 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(Br)cnc2Br)N1 ZINC000587677948 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(Br)cnc2Br)N1 ZINC000587677949 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(Br)cnc2Br)N1 ZINC000587677950 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(Br)cnc2Br)N1 ZINC000587677951 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587677972 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587677973 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587677974 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587677975 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587678012 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587678014 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587678017 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587678019 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587678033 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587678042 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587678046 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587678049 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587678074 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587678076 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587678079 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587678081 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678116 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678121 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678123 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678125 JJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678156 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678158 JJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678160 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678161 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587678232 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587678235 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587678236 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587678237 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587678238 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587678239 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587678240 JJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587678241 JJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587678243 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587678246 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587678249 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587678253 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587678271 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587678276 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587678277 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587678280 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587678305 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587678308 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587678310 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587678312 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587678327 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587678330 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587678332 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587678334 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678400 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678401 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678402 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678403 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)cnc2Br)N1 ZINC000587678432 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)cnc2Br)N1 ZINC000587678433 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)cnc2Br)N1 ZINC000587678434 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)cnc2Br)N1 ZINC000587678435 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587678506 JJ Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587678508 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587678510 JJ Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587678511 JJ Annotated Anodyne Cc1cc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2cc1Br ZINC000587678527 JJ Annotated Anodyne Cc1cc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2cc1Br ZINC000587678529 JJ Annotated Anodyne Cc1cc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2cc1Br ZINC000587678531 JJ Annotated Anodyne Cc1cc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2cc1Br ZINC000587678532 JJ Annotated Anodyne COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678552 JJ Annotated Clean COc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678553 JJ Annotated Clean COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678554 JJ Annotated Clean COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678555 JJ Annotated Clean COC(=O)c1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678632 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678633 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678634 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678635 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587678661 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587678663 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587678665 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587678667 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587678701 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587678707 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587678710 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587678712 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587678779 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587678781 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587678783 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587678785 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587678866 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587678867 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587678870 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587678871 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587678873 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587678875 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587678877 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587678878 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587678881 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587678893 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587678898 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587678902 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587678905 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678918 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587678920 JJ Annotated Clean COC(=O)[C@@]1(/C=C/c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678921 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587678923 JJ Annotated Clean COC(=O)[C@@]1(/C=C/c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678924 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587678926 JJ Annotated Clean COC(=O)[C@]1(/C=C/c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678927 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587678929 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 ZINC000587678930 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587678934 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587678939 JJ Annotated Mild C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br)C(=O)O ZINC000587678946 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O[C@H](C)C(=O)O)c(Br)c2)N1 ZINC000587678949 JJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br)C(=O)O ZINC000587678952 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O[C@H](C)C(=O)O)c(Br)c2)N1 ZINC000587678955 JJ Annotated Anodyne CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679019 JJ Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679020 JJ Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679021 JJ Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679023 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587679048 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587679050 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587679052 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587679054 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587679212 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587679218 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587679225 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587679232 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587679240 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587679245 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587679249 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587679255 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679287 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679290 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679293 JJ Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679295 JJ Annotated Anodyne CC(=O)c1cc2c(o1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(Br)=CC2=O ZINC000587679299 JJ Annotated Mild CC(=O)c1cc2c(o1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(Br)=CC2=O ZINC000587679308 JJ Annotated Mild CC(=O)c1cc2c(o1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(Br)=CC2=O ZINC000587679315 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587679319 JJ Annotated Reactive CC(=O)c1cc2c(o1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(Br)=CC2=O ZINC000587679321 JJ Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1Br ZINC000587679325 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587679326 JJ Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1Br ZINC000587679329 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587679331 JJ Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1Br ZINC000587679333 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1Br ZINC000587679336 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587679337 JJ Annotated Reactive COc1cc(Br)cc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679347 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679352 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679355 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679359 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(O)nc2/C=C\N(C)C)N1 ZINC000587679363 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(O)nc2/C=C/N(C)C)N1 ZINC000587679367 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(O)nc2/C=C/N(C)C)N1 ZINC000587679371 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(O)nc2/C=C\N(C)C)N1 ZINC000587679376 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679397 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679400 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679404 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679408 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)=O ZINC000587679422 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)=O ZINC000587679425 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)=O ZINC000587679428 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(C)=O ZINC000587679433 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587679459 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587679463 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587679467 JJ Annotated Anodyne CC(=O)c1cc2c(o1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(Br)=CC2=O ZINC000587679468 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)OCCO3)N1 ZINC000587679471 JJ Annotated Anodyne CC(=O)c1cc2c(o1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(Br)=CC2=O ZINC000587679472 JJ Annotated Mild CC(=O)c1cc2c(o1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(Br)=CC2=O ZINC000587679477 JJ Annotated Mild CC(=O)c1cc2c(o1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(Br)=CC2=O ZINC000587679482 JJ Annotated Mild Cc1cccn2c(Br)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587679499 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587679503 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587679508 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587679511 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587679606 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587679607 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Br ZINC000587679616 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Br ZINC000587679617 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Br ZINC000587679618 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Br ZINC000587679619 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679620 JJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679621 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679622 JJ Annotated Anodyne COc1cc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679623 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587679665 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587679667 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587679669 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC ZINC000587679671 JJ Annotated Anodyne CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679672 JJ Annotated Clean CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679674 JJ Annotated Clean CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679676 JJ Annotated Clean CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679678 JJ Annotated Clean COc1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587679698 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587679700 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587679702 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587679704 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679740 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679748 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679751 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679755 JJ Annotated Bother COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679757 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679767 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679771 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679775 JJ Annotated Reactive COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)=O ZINC000587679793 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)=O ZINC000587679795 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)=O ZINC000587679796 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(C)=O ZINC000587679798 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587679800 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587679802 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587679803 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587679806 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587679825 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587679827 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587679829 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 ZINC000587679831 JJ Annotated Clean Cc1cc(Br)cn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587679837 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587679839 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587679841 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587679844 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587679938 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587679941 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587679953 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587679955 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587679957 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587679958 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587679981 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587679982 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587679984 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2Br)OCCO3)N1 ZINC000587679985 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587679995 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587679997 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587680000 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc(Br)cc3c2=O)N1 ZINC000587680002 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587680060 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587680061 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587680063 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587680065 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587680136 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587680137 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587680138 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 ZINC000587680139 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587680156 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587680157 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587680158 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 ZINC000587680159 JJ Annotated Bother COCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680204 JJ Annotated Anodyne COCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680205 JJ Annotated Anodyne COCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680206 JJ Annotated Anodyne COCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680207 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680222 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680224 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680226 JJ Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680228 JJ Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](Br)C2 ZINC000587680231 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](Br)C2 ZINC000587680233 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](Br)C2 ZINC000587680235 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](Br)C2 ZINC000587680237 JJ Annotated Reactive COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587680267 JJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587680268 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587680269 JJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587680270 JJ Annotated Anodyne CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680316 JJ Annotated Clean CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680318 JJ Annotated Clean CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680321 JJ Annotated Clean CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680322 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587680483 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587680484 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587680485 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3cccc(Br)c3)COC2)N1 ZINC000587680486 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680616 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680617 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680618 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680619 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680640 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680641 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680642 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCOCC2)N1 ZINC000587680643 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587680698 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587680699 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587680700 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccccc2Br)N1 ZINC000587680701 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587680743 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587680748 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587680750 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587680753 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587680755 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587680757 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680758 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587680759 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680760 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587680761 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680762 JJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680765 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587680833 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587680834 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587680836 JJ Annotated Anodyne Cc1cc(Br)c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587680838 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587680912 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587680914 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587680916 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)c3ccc(Br)cc23)N1 ZINC000587680919 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681039 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681042 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681047 JJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681052 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681075 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681078 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681080 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC ZINC000587681083 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681106 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681108 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681112 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681115 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Br ZINC000587681155 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Br ZINC000587681158 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Br ZINC000587681161 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Br ZINC000587681164 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681265 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681266 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681267 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681268 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587681275 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2O[C@H](C)C(=O)O)N1 ZINC000587681277 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587681279 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2O[C@H](C)C(=O)O)N1 ZINC000587681281 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587681292 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587681294 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587681297 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCN(C)CC2)N1 ZINC000587681301 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587681338 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587681341 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587681343 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCO)N1 ZINC000587681346 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587681369 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587681373 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587681375 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587681378 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681401 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681403 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681405 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681406 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681458 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681459 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681461 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN(C)C)c(Br)c2)N1 ZINC000587681463 JJ Annotated Anodyne COCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681464 JJ Annotated Anodyne COCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681466 JJ Annotated Anodyne COCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681467 JJ Annotated Anodyne COCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587681469 JJ Annotated Anodyne C#CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681511 JJ Annotated Mild C#CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681514 JJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681516 JJ Annotated Mild C#CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681518 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587681597 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587681598 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587681599 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587681600 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587681624 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587681626 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587681628 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587681629 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587681656 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587681658 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587681659 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587681661 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587681792 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587681793 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587681794 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587681795 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C ZINC000587681796 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C ZINC000587681797 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C ZINC000587681798 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C ZINC000587681799 JJ Annotated Reactive COc1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587681838 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587681839 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587681841 JJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587681842 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587681995 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587681996 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682031 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682035 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682036 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682037 JJ Annotated Mild COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](Br)C2 ZINC000587682055 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](Br)C2 ZINC000587682058 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](Br)C2 ZINC000587682062 JJ Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](Br)C2 ZINC000587682065 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587682140 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587682141 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587682142 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587682143 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587682211 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587682212 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587682214 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(Br)ccc12 ZINC000587682215 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587682306 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587682308 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587682311 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 ZINC000587682313 JJ Annotated Bother COC(=O)[C@]1(/C=C/c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682331 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682333 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682335 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682336 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587682433 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 ZINC000587682434 JJ Annotated Clean CC(=O)Oc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682466 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682468 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682469 JJ Annotated Anodyne CC(=O)Oc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682471 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682632 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682635 JJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682637 JJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682640 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682682 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682684 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682687 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Br)C(=O)c3ccccc32)N1 ZINC000587682689 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc(Br)n2)N1 ZINC000587682728 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc(Br)n2)N1 ZINC000587682737 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc(Br)n2)N1 ZINC000587682740 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc(Br)n2)N1 ZINC000587682742 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587682934 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587682936 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587682938 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587682940 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587682941 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587682942 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587682943 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587682944 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587682945 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587682946 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587682949 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3cc(Br)ccc3C2=O)N1 ZINC000587682950 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683030 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683031 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683033 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683035 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683050 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683051 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683052 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683053 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587683066 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587683067 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587683068 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587683069 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683133 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587683134 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683135 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587683137 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683138 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587683140 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683142 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587683144 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587683174 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587683176 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587683180 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587683183 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683261 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683264 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683267 JJ Annotated Anodyne Cc1nc2ccc(Br)cn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683270 JJ Annotated Anodyne CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683536 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683574 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683578 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683582 JJ Annotated Reactive CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cc(Br)c21 ZINC000587683595 JJ Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cc(Br)c21 ZINC000587683607 JJ Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cc(Br)c21 ZINC000587683612 JJ Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cc(Br)c21 ZINC000587683614 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587683629 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587683631 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587683633 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccc(Br)cc3c2=O)N1 ZINC000587683635 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587683799 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2O[C@H](C)C(=O)O)N1 ZINC000587683801 JJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587683802 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2O[C@H](C)C(=O)O)N1 ZINC000587683804 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587683878 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587683880 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587683884 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=CC(=O)c1ccccc12 ZINC000587683887 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Br)=CN(C)C=C2Br ZINC000587683901 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Br)=CN(C)C=C2Br ZINC000587683907 JJ Annotated Anodyne Cc1cccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Br)n12 ZINC000587683958 JJ Annotated Anodyne Cc1cccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Br)n12 ZINC000587683960 JJ Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Br)n12 ZINC000587683963 JJ Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Br)n12 ZINC000587683965 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587683984 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587683993 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587683994 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587683995 JJ Annotated Mild CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684028 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684029 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684030 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684031 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684088 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684089 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684090 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684091 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587684125 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587684126 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587684127 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCOCC2)N1 ZINC000587684128 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2OCC(=O)O)N1 ZINC000587684137 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2OCC(=O)O)N1 ZINC000587684138 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2OCC(=O)O)N1 ZINC000587684139 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2OCC(=O)O)N1 ZINC000587684140 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684158 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684159 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684162 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684163 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684202 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587684245 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587684248 JJ Annotated Anodyne COc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587684250 JJ Annotated Anodyne COc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587684252 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684273 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684275 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684276 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 ZINC000587684278 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684331 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684336 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684340 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587684362 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587684365 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc(Br)n2)N1 ZINC000587684366 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc(Br)n2)N1 ZINC000587684368 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587684369 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc(Br)n2)N1 ZINC000587684371 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(Br)cc12 ZINC000587684372 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc(Br)n2)N1 ZINC000587684374 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684391 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684394 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684395 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684397 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684407 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684409 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684410 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)N1 ZINC000587684411 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684427 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684429 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684430 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684431 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684604 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684605 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684606 JJ Annotated Anodyne COc1cc(Br)cc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684607 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684612 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684613 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684614 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684615 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587684634 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587684637 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587684640 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587684642 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587684653 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587684654 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587684656 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N2CCN(C)CC2)N1 ZINC000587684658 JJ Annotated Anodyne CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C ZINC000587684756 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C ZINC000587684757 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C ZINC000587684758 JJ Annotated Reactive CC(=O)N1c2ccc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C ZINC000587684759 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684921 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684922 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684924 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C=O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684926 JJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587684938 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587684946 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587684948 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587684950 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587684964 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587684965 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587684967 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3cccc(Br)c3)C2)N1 ZINC000587684969 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587685003 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587685006 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587685009 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cncnc2)N1 ZINC000587685012 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685035 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685038 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685040 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685042 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685044 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685047 JJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685050 JJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685053 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587685100 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587685102 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587685105 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 ZINC000587685107 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685144 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685146 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685148 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685150 JJ Annotated Reactive Cc1cccn2c(Br)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587685173 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587685176 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587685179 JJ Annotated Anodyne Cc1cccn2c(Br)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587685181 JJ Annotated Anodyne CC(=O)NCCCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685270 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685271 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685272 JJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685273 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587685306 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587685307 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587685308 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 ZINC000587685309 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587685428 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587685431 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587685434 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587685437 JJ Annotated Mild CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685457 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685459 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685462 JJ Annotated Reactive CC(=O)N[C@H](C)c1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685464 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685468 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685471 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685473 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685474 JJ Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685475 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685476 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685477 JJ Annotated Reactive CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685479 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587685541 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587685543 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587685544 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587685546 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685636 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685639 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685642 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCC(=O)N3C)N1 ZINC000587685645 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587685659 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587685662 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587685664 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587685667 JJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587685762 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587685765 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587685768 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587685770 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587685801 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587685810 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587685818 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587685821 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587685823 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587685825 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587685827 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587685830 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587685869 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587685874 JJ Annotated Reactive Cc1cc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2cc1Br ZINC000587685898 JJ Annotated Anodyne Cc1cc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2cc1Br ZINC000587685899 JJ Annotated Anodyne Cc1cc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2cc1Br ZINC000587685900 JJ Annotated Anodyne Cc1cc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2cc1Br ZINC000587685901 JJ Annotated Anodyne CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587685909 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587685911 JJ Annotated Reactive Cc1ccn2c(Br)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587685912 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587685915 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587685917 JJ Annotated Anodyne Cc1ccn2c(Br)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587685919 JJ Annotated Anodyne Cc1cccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Br)n12 ZINC000587685993 JJ Annotated Anodyne Cc1cccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Br)n12 ZINC000587685999 JJ Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Br)n12 ZINC000587686001 JJ Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Br)n12 ZINC000587686003 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587686005 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587686007 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587686009 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587686011 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Br)=CN(C)C=C2Br ZINC000587686022 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Br)=CN(C)C=C2Br ZINC000587686024 JJ Annotated Anodyne CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686065 JJ Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686068 JJ Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686072 JJ Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(Br)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686075 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686140 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686144 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686147 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Br)cc2)N1 ZINC000587686149 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587686163 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587686168 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587686173 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Br)cc12 ZINC000587686177 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587686206 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587686209 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587686212 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587686215 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587686252 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587686255 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587686259 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587686262 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587686390 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587686391 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587686392 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC(=O)N3)N1 ZINC000587686393 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587686491 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587686494 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587686497 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CN(C)C(=O)N3)N1 ZINC000587686500 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686543 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686545 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686548 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587686550 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587686619 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587686621 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587686623 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C#N)c2)(C(Cl)(Cl)Cl)N1 ZINC000587686626 JJ Annotated Mild Cc1cc(Br)cn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587686680 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587686682 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587686685 JJ Annotated Anodyne Cc1cc(Br)cn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587686687 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(Br)cnc2Br)N1 ZINC000587686689 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(Br)cnc2Br)N1 ZINC000587686691 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(Br)cnc2Br)N1 ZINC000587686693 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(Br)cnc2Br)N1 ZINC000587686695 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587686836 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587686838 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587686840 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1 ZINC000587686843 JJ Annotated Reactive CCCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587686883 JJ Annotated Anodyne CCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587686886 JJ Annotated Anodyne CCCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587686888 JJ Annotated Anodyne CCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Br)ccc21 ZINC000587686890 JJ Annotated Anodyne CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686952 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686953 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686954 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686955 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587686973 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587686974 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587686975 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1 ZINC000587686976 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587687079 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587687081 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587687082 JJ Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587687085 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687096 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687098 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687100 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687102 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587687105 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587687106 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587687108 JJ Annotated Reactive CCC(=O)N1CCc2cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587687110 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587687216 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587687219 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587687222 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(N3CCCC3=O)cc2)N1 ZINC000587687224 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587687283 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587687286 JJ Annotated Mild CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687328 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687330 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687331 JJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687333 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687425 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687426 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687428 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687430 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587687531 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587687532 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587687533 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3cc(Br)ccc3nn2C)N1 ZINC000587687535 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587687589 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(o2)C(=O)C(Br)=CC3=O)N1 ZINC000587687591 JJ Annotated Mild COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687780 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687781 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687782 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587687783 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687820 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687821 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687822 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587687823 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587687824 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587687825 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587687826 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587687827 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688010 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688012 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688013 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688016 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587688064 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587688065 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587688066 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=Cc1cc(Br)ccc12 ZINC000587688067 JJ Annotated Mild CCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688105 JJ Annotated Anodyne CCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688111 JJ Annotated Anodyne CCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688115 JJ Annotated Anodyne CCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Br)ccc21 ZINC000587688117 JJ Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cc(Br)c21 ZINC000587688157 JJ Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cc(Br)c21 ZINC000587688158 JJ Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cc(Br)c21 ZINC000587688159 JJ Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cc(Br)c21 ZINC000587688160 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688309 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688310 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688311 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587688312 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587688569 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587688573 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587688577 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc3nc(N)oc23)N1 ZINC000587688581 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 ZINC000587688693 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 ZINC000587688694 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 ZINC000587688695 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 ZINC000587688696 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 ZINC000587688711 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/Nc3ccccc3N2C)N1 ZINC000587688712 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 ZINC000587688713 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\Nc3ccccc3N2C)N1 ZINC000587688714 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587688715 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587688716 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587688717 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](C#N)C(=O)NCc2ccc(Cl)cc2)N1 ZINC000587688718 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688759 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688760 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688761 JJ Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688762 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587688821 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587688822 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587688823 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587688826 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688914 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688915 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688916 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688917 JJ Annotated Anodyne COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688979 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688981 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688982 JJ Annotated Reactive COC(=O)CCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688984 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689051 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689052 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689053 JJ Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689054 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689067 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689068 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689070 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689072 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689526 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689527 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689528 JJ Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689529 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587689746 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587689747 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587689748 JJ Annotated Reactive CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587689749 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689846 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689847 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689848 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689849 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689983 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689984 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689986 JJ Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587689988 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587690110 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587690111 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587690112 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587690113 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3N/C2=C\Cl)N1 ZINC000587691069 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3N/C2=C/Cl)N1 ZINC000587691070 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3N/C2=C/Cl)N1 ZINC000587691071 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3N/C2=C\Cl)N1 ZINC000587691072 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 ZINC000587691280 JJ Annotated Clean CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 ZINC000587691283 JJ Annotated Clean CC(=O)N1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 ZINC000587691285 JJ Annotated Clean CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 ZINC000587691287 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691341 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691342 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691343 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691344 JJ Annotated Clean COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587691393 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587691394 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587691395 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587691396 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3N/C2=C/Cl)N1 ZINC000587691455 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3N/C2=C\Cl)N1 ZINC000587691457 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3N/C2=C\Cl)N1 ZINC000587691460 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3N/C2=C/Cl)N1 ZINC000587691461 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691621 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691622 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691623 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691624 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587691781 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587691782 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587691783 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587691784 JJ Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691807 JJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691808 JJ Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691809 JJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691810 JJ Annotated Bother COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587692199 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587692201 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587692203 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587692205 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692545 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692559 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692560 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692561 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692800 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692804 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692806 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692809 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587692831 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587692844 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587692848 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587692853 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccccc3Cl)CC2)N1 ZINC000587693080 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccccc3Cl)CC2)N1 ZINC000587693081 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)N(C)C ZINC000587693175 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)N(C)C ZINC000587693208 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)N(C)C ZINC000587693211 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC(=O)N(C)C ZINC000587693214 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587693794 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587693801 JJ Annotated Clean COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587693803 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587693805 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587693809 JJ Annotated Clean COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587693813 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587693817 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587693822 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693856 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693875 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693877 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693879 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(/C=C\C(=O)O)=COc1ccc(Cl)cc12 ZINC000587694034 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(/C=C/C(=O)O)=COc1ccc(Cl)cc12 ZINC000587694038 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(/C=C\C(=O)O)=COc1ccc(Cl)cc12 ZINC000587694039 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(/C=C/C(=O)O)=COc1ccc(Cl)cc12 ZINC000587694040 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694447 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694449 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694451 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694453 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694834 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694835 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694836 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694838 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695136 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695154 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695157 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695160 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587695623 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587695624 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587695627 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 ZINC000587695630 JJ Annotated Clean CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587695766 JJ Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587695771 JJ Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587695772 JJ Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587695773 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587695897 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587695899 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587695901 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587695903 JJ Annotated Anodyne CC(=O)N1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 ZINC000587696079 JJ Annotated Clean CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 ZINC000587696081 JJ Annotated Clean CC(=O)N1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 ZINC000587696083 JJ Annotated Clean CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 ZINC000587696084 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587696347 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587696364 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587696369 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587696374 JJ Annotated Mild COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696387 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696389 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696392 JJ Annotated Anodyne COC(=O)C1=NN(c2ccc(Cl)cc2)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696394 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587696960 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587696962 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587696965 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2N2CCN(C)CC2)N1 ZINC000587696967 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587697041 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587697042 JJ Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587697043 JJ Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587697044 JJ Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587697073 JJ Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587697074 JJ Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587697075 JJ Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccc(Cl)cc1 ZINC000587697076 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697552 JJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697555 JJ Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697558 JJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697562 JJ Annotated Bother COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697684 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697687 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697690 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697693 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Cl)ccc21 ZINC000587697922 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Cl)ccc21 ZINC000587697925 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(Cl)ccc21 ZINC000587697928 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(Cl)ccc21 ZINC000587697931 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587698033 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587698036 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587698039 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 ZINC000587698043 JJ Annotated Bother CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587698126 JJ Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587698129 JJ Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587698133 JJ Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587698136 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698216 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698217 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698219 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698221 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Cl)cc1 ZINC000587698280 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Cl)cc1 ZINC000587698282 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Cl)cc1 ZINC000587698285 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Cl)cc1 ZINC000587698287 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(/C=C\C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698312 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(/C=C/C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698314 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(/C=C/C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698316 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(/C=C\C(=O)O)=COc1ccc(Cl)cc12 ZINC000587698318 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698401 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698405 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698408 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698411 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587698449 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587698452 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587698456 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587698458 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)N(C)C ZINC000587698694 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)N(C)C ZINC000587698696 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)N(C)C ZINC000587698700 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC(=O)N(C)C ZINC000587698703 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587698822 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587698829 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587698836 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1Oc1nc(N)c(C#N)cc12 ZINC000587698842 JJ Annotated Mild CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587699008 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587699012 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587699016 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(Cl)ccc21 ZINC000587699020 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699049 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699052 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699055 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699058 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587699324 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587699334 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587699338 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587699343 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587699384 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587699389 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587699394 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587699397 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699500 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699504 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699507 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699511 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587699877 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587699878 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587699879 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)N1 ZINC000587699880 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587699889 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587699890 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587699891 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587699892 JJ Annotated Clean CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699977 JJ Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699984 JJ Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699986 JJ Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699988 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1 ZINC000587700004 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1 ZINC000587700007 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700158 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700160 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700161 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700163 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587700355 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587700357 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587700359 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587700361 JJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700363 JJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700366 JJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700368 JJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700370 JJ Annotated Anodyne CO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CBr ZINC000587700492 JJ Annotated Reactive CO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CBr ZINC000587700493 JJ Annotated Reactive CO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CBr ZINC000587700495 JJ Annotated Reactive CO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CBr ZINC000587700497 JJ Annotated Reactive COc1ccc(OC)c([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700506 JJ Annotated Anodyne COc1ccc(OC)c([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700517 JJ Annotated Anodyne COc1ccc(OC)c([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700519 JJ Annotated Anodyne COc1ccc(OC)c([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700521 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587700654 JJ Annotated Bother COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700656 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700657 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587700658 JJ Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700659 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587700660 JJ Annotated Bother COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587700661 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587700662 JJ Annotated Bother CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587700738 JJ Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587700740 JJ Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587700742 JJ Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(Cl)c1 ZINC000587700744 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587701222 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587701226 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587701231 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)N1 ZINC000587701234 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587701393 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587701395 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587701397 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587701398 JJ Annotated Bother Cc1cc2c(cc1Cl)C(=O)[C@H]([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587701501 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587701503 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587701505 JJ Annotated Anodyne Cc1cc2c(cc1Cl)C(=O)[C@H]([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587701508 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701568 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701570 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701572 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701573 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587701575 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587701577 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587701578 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587701583 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587701983 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587701988 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587701991 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587701995 JJ Annotated Mild COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702220 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702222 JJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702224 JJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702225 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccccc3Cl)CC2)N1 ZINC000587702389 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccccc3Cl)CC2)N1 ZINC000587702391 JJ Annotated Anodyne CO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CBr ZINC000587702399 JJ Annotated Reactive CO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CBr ZINC000587702402 JJ Annotated Reactive CO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CBr ZINC000587702405 JJ Annotated Reactive CO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CBr ZINC000587702407 JJ Annotated Reactive COc1ccc(OC)c([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702691 JJ Annotated Anodyne COc1ccc(OC)c([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702692 JJ Annotated Anodyne COc1ccc(OC)c([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702693 JJ Annotated Anodyne COc1ccc(OC)c([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702694 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Cl)cc1 ZINC000587702760 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Cl)cc1 ZINC000587702764 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Cl)cc1 ZINC000587702767 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Cl)cc1 ZINC000587702771 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703164 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703168 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703170 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703174 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703300 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703302 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703304 JJ Annotated Anodyne CCn1ncc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703308 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703512 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703515 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703517 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703519 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587703520 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587703521 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587703522 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(C(=O)NC2CC2)N1 ZINC000587703523 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703556 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703559 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703560 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703561 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587703776 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587703777 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587703779 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(N)=O)c2)N1 ZINC000587703781 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2n1C ZINC000587703793 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2n1C ZINC000587703796 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2n1C ZINC000587703798 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2n1C ZINC000587703801 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703850 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703851 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703852 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703853 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587703910 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587703911 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587703912 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587703915 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587704219 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587704223 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587704225 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587704227 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704367 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704369 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704370 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704371 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587704684 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587704686 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587704687 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587704688 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587704701 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587704702 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587704703 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(C#N)cc2)N1 ZINC000587704704 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587704890 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587704895 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587704896 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587704897 JJ Annotated Mild COc1ccccc1[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705079 JJ Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705082 JJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705083 JJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705084 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587705090 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587705091 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587705094 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587705096 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2n1C ZINC000587705259 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2n1C ZINC000587705260 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2n1C ZINC000587705261 JJ Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2n1C ZINC000587705262 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)F)N1 ZINC000587705384 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)F)N1 ZINC000587705385 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)F)N1 ZINC000587705386 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)F)N1 ZINC000587705387 JJ Annotated Reactive COc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705424 JJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705425 JJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705426 JJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705428 JJ Annotated Anodyne CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705634 JJ Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705635 JJ Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705636 JJ Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705637 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587705671 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587705672 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587705673 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2NCc2ccccc2)N1 ZINC000587705674 JJ Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587705847 JJ Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587705850 JJ Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587705852 JJ Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587705854 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705858 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705860 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705861 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705863 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705865 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705867 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705869 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705871 JJ Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587706121 JJ Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587706123 JJ Annotated Anodyne CCn1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587706124 JJ Annotated Anodyne CCn1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587706125 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587706160 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587706161 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587706163 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587706164 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587706171 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587706174 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587706176 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587706177 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)F)N1 ZINC000587706179 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)F)N1 ZINC000587706180 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)F)N1 ZINC000587706181 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)F)N1 ZINC000587706183 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587706414 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587706415 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587706416 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3c(c2)OCCO3)(C(F)(F)F)N1 ZINC000587706417 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587707360 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587707361 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587707362 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCO3)N1 ZINC000587707363 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587707462 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587707463 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587707464 JJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587707465 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587707512 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587707513 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587707514 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc3c(c2)OCCO3)N1 ZINC000587707515 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587707765 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587707766 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587707767 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)(F)F)N1 ZINC000587707768 JJ Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707928 JJ Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707930 JJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707932 JJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707934 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587708559 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587708560 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587708561 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1c(O)ccc(O)c12 ZINC000587708563 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587708630 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587708631 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587708632 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587708633 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587708658 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587708659 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587708660 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587708661 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709244 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709245 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709246 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709247 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709260 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709261 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709262 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709263 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709296 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709297 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709298 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCN(C(=O)C(F)(F)F)CC2)(C(F)(F)F)N1 ZINC000587709299 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709340 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709341 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709342 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)N1 ZINC000587709343 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709430 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709431 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709432 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709433 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587709641 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587709642 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587709643 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587709644 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710114 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710117 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710119 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710121 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587710564 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587710565 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587710566 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587710567 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710794 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710795 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710796 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710797 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711055 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711058 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711059 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711061 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587711069 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587711071 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587711073 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCCN(C(=O)C(F)(F)F)C2)(C(F)(F)F)N1 ZINC000587711075 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587711167 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587711189 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587711191 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587711193 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587711461 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587711463 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587711465 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587711467 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711480 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711483 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711485 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711487 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711680 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711681 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711682 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(F)(F)C(F)(F)F)N1 ZINC000587711683 JJ Annotated Reactive Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711952 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711953 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711954 JJ Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711955 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587712044 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587712045 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587712046 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2C(F)(F)F)N1 ZINC000587712047 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712358 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712359 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712360 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712361 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587712420 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587712421 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587712422 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587712423 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000587712462 JJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000587712464 JJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000587712466 JJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000587712468 JJ Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587712743 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587712748 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587712752 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587712754 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712755 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712758 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712761 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712764 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587712842 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587712844 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587712846 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587712848 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587713291 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587713296 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587713299 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587713303 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587713610 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587713611 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587713612 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)N1 ZINC000587713613 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713852 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713855 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713857 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713859 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000587714080 JJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000587714082 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587714083 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587714084 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587714085 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2N(C)CC(=O)O)N1 ZINC000587714086 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000587714517 JJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000587714522 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587714525 JJ Annotated Clean COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587714545 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587714547 JJ Annotated Clean COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587714548 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587714550 JJ Annotated Clean COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587714551 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587714553 JJ Annotated Clean COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587714554 JJ Annotated Bother CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714804 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714810 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714813 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714816 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714995 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714996 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714997 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714999 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715209 JJ Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715210 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715211 JJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715212 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715354 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715356 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715359 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715362 JJ Annotated Anodyne COc1c(F)cccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715472 JJ Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715484 JJ Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715487 JJ Annotated Reactive COc1c(F)cccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715489 JJ Annotated Reactive CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715523 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715525 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715527 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715531 JJ Annotated Anodyne COc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O ZINC000587715673 JJ Annotated Reactive COc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O ZINC000587715683 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O ZINC000587715686 JJ Annotated Reactive COc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O ZINC000587715689 JJ Annotated Reactive CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715772 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715774 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715777 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715779 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715911 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715912 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715913 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715914 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587716131 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587716134 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587716136 JJ Annotated Anodyne CCOC(=O)C1=C(C(F)F)OC(C(F)F)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587716138 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716376 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716378 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716380 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716383 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716827 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716830 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716833 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716835 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587716987 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587716997 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587717003 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587717010 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587717239 JJ Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587717240 JJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587717241 JJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587717242 JJ Annotated Bother CCOC(=O)[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717255 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717262 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717267 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717272 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717437 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717442 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717445 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717449 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587717498 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587717503 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587717508 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 ZINC000587717515 JJ Annotated Anodyne COc1c(OC(F)F)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587717674 JJ Annotated Bother COc1c(OC(F)F)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587717678 JJ Annotated Bother COc1c(OC(F)F)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587717681 JJ Annotated Bother COc1c(OC(F)F)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587717683 JJ Annotated Bother COc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O ZINC000587717775 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O ZINC000587717778 JJ Annotated Reactive COc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O ZINC000587717781 JJ Annotated Reactive COc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O ZINC000587717785 JJ Annotated Reactive COc1c(F)cccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718087 JJ Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718089 JJ Annotated Reactive COc1c(F)cccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718090 JJ Annotated Reactive COc1c(F)cccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718096 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587718477 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587718478 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587718479 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccc(C(F)(F)F)cc12 ZINC000587718480 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587718653 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587718663 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587718667 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587718669 JJ Annotated Unstable CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718770 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718775 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718778 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718781 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718841 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718843 JJ Annotated Anodyne COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718845 JJ Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718846 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587718874 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587718887 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587718888 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587718889 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719556 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719558 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719561 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719563 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587719703 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587719706 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587719711 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587719715 JJ Annotated Reactive COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719716 JJ Annotated Anodyne COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719723 JJ Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719727 JJ Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719730 JJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587719757 JJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587719774 JJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587719779 JJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587719782 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587719879 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587719881 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587719882 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1 ZINC000587719883 JJ Annotated Unstable COc1c(OC(F)F)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587720191 JJ Annotated Bother COc1c(OC(F)F)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587720195 JJ Annotated Bother COc1c(OC(F)F)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587720197 JJ Annotated Bother COc1c(OC(F)F)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587720200 JJ Annotated Bother COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720244 JJ Annotated Anodyne COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720245 JJ Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720247 JJ Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720251 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587720279 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587720281 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587720282 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587720284 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720507 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720509 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720511 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720514 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587720652 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587720653 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587720654 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)c(F)c2O)N1 ZINC000587720656 JJ Annotated Clean COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587720760 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587720762 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587720764 JJ Annotated Bother COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587720766 JJ Annotated Bother CCOC(=O)[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720979 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720980 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720981 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720982 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587721205 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587721206 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587721208 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(F)c2O)N1 ZINC000587721210 JJ Annotated Reactive COc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587721321 JJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587721322 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587721323 JJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587721324 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721570 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721571 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721574 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721576 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721665 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721667 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721668 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721670 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587722238 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587722246 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587722249 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587722251 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587722470 JJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587722471 JJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587722472 JJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F ZINC000587722473 JJ Annotated Bother CCOC(=O)[C@@]1(c2c(F)cccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723168 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723169 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723170 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723171 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587723204 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587723205 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587723206 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(F)(F)F)N(C)C=C2Br)N1 ZINC000587723207 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723426 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723427 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723428 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723429 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723717 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723719 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723721 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc3c(c2)OCO3)(C(F)F)N1 ZINC000587723723 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723890 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723903 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723906 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723909 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724000 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724001 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724002 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724003 JJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587724126 JJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587724127 JJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587724128 JJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587724129 JJ Annotated Anodyne COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724176 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724177 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724178 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724179 JJ Annotated Reactive CCN1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 ZINC000587724224 JJ Annotated Clean CCN1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 ZINC000587724225 JJ Annotated Clean CCN1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 ZINC000587724226 JJ Annotated Clean CCN1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 ZINC000587724227 JJ Annotated Clean CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724384 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724385 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724386 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724387 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724528 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724529 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724530 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724531 JJ Annotated Anodyne COc1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587724628 JJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587724629 JJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587724630 JJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587724631 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724700 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724701 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724702 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724703 JJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587724870 JJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587724873 JJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587724876 JJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587724878 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587725170 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587725176 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587725178 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587725179 JJ Annotated Clean CCOC(=O)[C@]1(c2cccc(Br)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725488 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725489 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725490 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725491 JJ Annotated Anodyne COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587725512 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587725513 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587725514 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587725515 JJ Annotated Reactive CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587725548 JJ Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587725549 JJ Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587725650 JJ Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587725651 JJ Annotated Anodyne CCN1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 ZINC000587725692 JJ Annotated Clean CCN1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 ZINC000587725693 JJ Annotated Clean CCN1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 ZINC000587725694 JJ Annotated Clean CCN1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 ZINC000587725695 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587725780 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587725781 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587725782 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587725783 JJ Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587725904 JJ Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587725905 JJ Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587725906 JJ Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587725907 JJ Annotated Anodyne COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587725908 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587725909 JJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587725910 JJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587725911 JJ Annotated Reactive COc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726618 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726619 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726620 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587726621 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587728385 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587728393 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587728399 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587728406 JJ Annotated Anodyne COc1ccc(F)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728488 JJ Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728491 JJ Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728494 JJ Annotated Reactive COc1ccc(F)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728497 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587728612 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587728617 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587728621 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587728625 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(Cl)cc21 ZINC000587728701 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(Cl)cc21 ZINC000587728702 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(Cl)cc21 ZINC000587728704 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(Cl)cc21 ZINC000587728707 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1c3c(cc(F)cc32)CC[C@H]1C ZINC000587729340 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1c3c(cc(F)cc32)CC[C@H]1C ZINC000587729341 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587729582 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587729585 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587729588 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587729591 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587729645 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587729647 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587729648 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 ZINC000587729649 JJ Annotated Clean C[C@H]1CCc2cc(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729674 JJ Annotated Anodyne C[C@H]1CCc2cc(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729677 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587729838 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(Cl)cc21 ZINC000587729845 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(Cl)cc21 ZINC000587729846 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(Cl)cc21 ZINC000587729847 JJ Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(Cl)cc21 ZINC000587729848 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587729853 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587729855 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587729858 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587730169 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587730181 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587730183 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587730185 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587730229 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587730231 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587730233 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1nc(Cl)c(F)cc12 ZINC000587730235 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587730474 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587730476 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587730477 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587730478 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731037 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731042 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731044 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731047 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587731115 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587731116 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587731117 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587731118 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587731163 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587731168 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587731170 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587731171 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587731346 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587731348 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587731351 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC=C2OCc2ccccc2F)N1 ZINC000587731353 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587731836 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587731837 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587731838 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1cc(F)c(F)cc12 ZINC000587731839 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587732058 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587732059 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587732060 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c(I)n[nH]c23)N1 ZINC000587732061 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587732095 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587732101 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587732102 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587732103 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587732190 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587732195 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587732196 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587732197 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587732290 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587732291 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587732292 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncc(CO)n2C)(c2ccc(F)cc2)N1 ZINC000587732293 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(I)cccc32)N1 ZINC000587732469 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(I)cccc32)N1 ZINC000587732479 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(I)cccc32)N1 ZINC000587732481 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(I)cccc32)N1 ZINC000587732483 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587732486 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587732493 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587732496 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587732498 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(I)cc32)N1 ZINC000587732776 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(I)cc32)N1 ZINC000587732778 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(I)cc32)N1 ZINC000587732780 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(I)cc32)N1 ZINC000587732784 JJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587733008 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587733014 JJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587733017 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587733020 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733315 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733319 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733323 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733328 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(I)ccc32)N1 ZINC000587733566 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(I)ccc32)N1 ZINC000587733567 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(I)ccc32)N1 ZINC000587733568 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(I)ccc32)N1 ZINC000587733569 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587733635 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587733637 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587733639 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587733640 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734001 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734013 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734017 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734019 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734092 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734094 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734095 JJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734096 JJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587734164 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587734166 JJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587734168 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 ZINC000587734170 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(I)ccc32)N1 ZINC000587734185 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(I)ccc32)N1 ZINC000587734187 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(I)ccc32)N1 ZINC000587734189 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(I)ccc32)N1 ZINC000587734191 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587734292 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587734293 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587734294 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587734295 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587734465 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587734468 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587734470 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587734472 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587734519 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587734520 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587734522 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587734525 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587734644 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587734645 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587734646 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3[nH]nc(I)c3c2)N1 ZINC000587734647 JJ Annotated Anodyne COc1ccc(F)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734752 JJ Annotated Reactive COc1ccc(F)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734754 JJ Annotated Reactive COc1ccc(F)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734756 JJ Annotated Reactive COc1ccc(F)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734758 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(I)cccc32)N1 ZINC000587734970 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(I)cccc32)N1 ZINC000587734971 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(I)cccc32)N1 ZINC000587734972 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(I)cccc32)N1 ZINC000587734973 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587735187 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587735188 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587735189 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587735190 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587735292 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587735293 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587735294 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]cc(I)c3c2)N1 ZINC000587735296 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587735311 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587735313 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587735315 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(I)n[nH]c3c2)N1 ZINC000587735316 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(I)cc32)N1 ZINC000587735651 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(I)cc32)N1 ZINC000587735652 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(I)cc32)N1 ZINC000587735653 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(I)cc32)N1 ZINC000587735654 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(I)cc32)N1 ZINC000587735679 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(I)cc32)N1 ZINC000587735680 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(I)cc32)N1 ZINC000587735681 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(I)cc32)N1 ZINC000587735682 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587735758 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587735759 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587735760 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CCC(=O)O)=COc1cc(F)ccc12 ZINC000587735761 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(I)cc32)N1 ZINC000587736066 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(I)cc32)N1 ZINC000587736067 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(I)cc32)N1 ZINC000587736068 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(I)cc32)N1 ZINC000587736069 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587736102 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587736105 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587736107 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]nc(I)c23)N1 ZINC000587736109 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587736381 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587736388 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(I)c2)N1 ZINC000587736390 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587736391 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587736393 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(I)c2)N1 ZINC000587736407 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(I)c2)N1 ZINC000587736410 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(I)c2)N1 ZINC000587736413 JJ Annotated Anodyne COc1cccc(I)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736505 JJ Annotated Anodyne COc1cccc(I)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736509 JJ Annotated Anodyne COc1cccc(I)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736510 JJ Annotated Anodyne COc1cccc(I)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736512 JJ Annotated Anodyne COc1ccc(I)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736515 JJ Annotated Anodyne COc1ccc(I)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736517 JJ Annotated Anodyne COc1ccc(I)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736518 JJ Annotated Anodyne COc1ccc(I)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587736521 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2O)N1 ZINC000587736577 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2O)N1 ZINC000587736580 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2O)N1 ZINC000587736582 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2O)N1 ZINC000587736584 JJ Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(I)c1O ZINC000587736586 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(I)c1O ZINC000587736589 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(I)c1O ZINC000587736591 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(I)c1O ZINC000587736594 JJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587736671 JJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587736673 JJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587736675 JJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587736677 JJ Annotated Anodyne C[C@H]1CCc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736688 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3CC[C@H]1C ZINC000587736689 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3CC[C@H]1C ZINC000587736691 JJ Annotated Anodyne C[C@H]1CCc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736693 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2F)N1 ZINC000587736725 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2F)N1 ZINC000587736736 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2F)N1 ZINC000587736738 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2F)N1 ZINC000587736740 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1c3c(cc(F)cc32)CC[C@H]1C ZINC000587736885 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1c3c(cc(F)cc32)CC[C@H]1C ZINC000587736887 JJ Annotated Anodyne C[C@H]1CCc2cc(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736890 JJ Annotated Anodyne C[C@H]1CCc2cc(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736893 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(I)cc2)N1 ZINC000587736954 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(I)cc2)N1 ZINC000587736962 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(I)cc2)N1 ZINC000587736963 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(I)cc2)N1 ZINC000587736965 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(I)cc2)N1 ZINC000587736984 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(I)cc2)N1 ZINC000587736985 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(I)cc2)N1 ZINC000587737049 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(I)cc2)N1 ZINC000587737052 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737134 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737136 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737140 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737142 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587737164 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587737167 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587737170 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 ZINC000587737174 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(I)c2)N1 ZINC000587737222 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(I)c2)N1 ZINC000587737224 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(I)c2)N1 ZINC000587737225 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(I)c2)N1 ZINC000587737227 JJ Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737248 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737249 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737250 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737251 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2O)N1 ZINC000587737524 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2O)N1 ZINC000587737525 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2O)N1 ZINC000587737526 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2O)N1 ZINC000587737527 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(I)cc2)N1 ZINC000587737552 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(I)cc2)N1 ZINC000587737553 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(I)cc2)N1 ZINC000587737554 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(I)cc2)N1 ZINC000587737555 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2F)N1 ZINC000587737646 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2F)N1 ZINC000587737648 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2F)N1 ZINC000587737649 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2F)N1 ZINC000587737651 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(I)c2)N1 ZINC000587737704 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(I)c2)N1 ZINC000587737705 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(I)c2)N1 ZINC000587737706 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(I)c2)N1 ZINC000587737707 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2I)N1 ZINC000587737748 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2I)N1 ZINC000587737749 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2I)N1 ZINC000587737750 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2I)N1 ZINC000587737751 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2I)N1 ZINC000587737820 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2I)N1 ZINC000587737821 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2I)N1 ZINC000587737822 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2I)N1 ZINC000587737823 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)c(F)c2)N1 ZINC000587737824 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)c(F)c2)N1 ZINC000587737825 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)c(F)c2)N1 ZINC000587737826 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)c(F)c2)N1 ZINC000587737827 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2F)N1 ZINC000587737902 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2F)N1 ZINC000587737903 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2F)N1 ZINC000587737904 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2F)N1 ZINC000587737905 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(I)c2)N1 ZINC000587737918 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(I)c2)N1 ZINC000587737919 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(I)c2)N1 ZINC000587737920 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(I)c2)N1 ZINC000587737921 JJ Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(I)c1O ZINC000587737922 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(I)c1O ZINC000587737923 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(I)c1O ZINC000587737924 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(I)c1O ZINC000587737925 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587738058 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587738059 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587738060 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587738061 JJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587738062 JJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587738063 JJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587738064 JJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587738065 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ccnc2Cl)N1 ZINC000587738110 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)ccnc2Cl)N1 ZINC000587738111 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ccnc2Cl)N1 ZINC000587738112 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)ccnc2Cl)N1 ZINC000587738113 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(I)c2O)N1 ZINC000587738126 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(I)c2O)N1 ZINC000587738127 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(I)c2O)N1 ZINC000587738128 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(I)c2O)N1 ZINC000587738129 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587738134 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587738135 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587738136 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587738137 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(I)c2)N1 ZINC000587738170 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(I)c2)N1 ZINC000587738171 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(I)c2)N1 ZINC000587738172 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(I)c2)N1 ZINC000587738173 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2I)N1 ZINC000587738212 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2I)N1 ZINC000587738213 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2I)N1 ZINC000587738214 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2I)N1 ZINC000587738215 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587738216 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587738217 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587738218 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587738219 JJ Annotated Anodyne COc1ccc(I)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738224 JJ Annotated Anodyne COc1ccc(I)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738225 JJ Annotated Anodyne COc1ccc(I)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738226 JJ Annotated Anodyne COc1ccc(I)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738227 JJ Annotated Anodyne COc1ccc(I)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738228 JJ Annotated Anodyne COc1ccc(I)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738229 JJ Annotated Anodyne COc1ccc(I)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738230 JJ Annotated Anodyne COc1ccc(I)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738231 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)c(O)c2)N1 ZINC000587738264 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)c(O)c2)N1 ZINC000587738265 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)c(O)c2)N1 ZINC000587738266 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)c(O)c2)N1 ZINC000587738267 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2F)N1 ZINC000587738332 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2F)N1 ZINC000587738333 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2F)N1 ZINC000587738334 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2F)N1 ZINC000587738335 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738344 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738345 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738346 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738347 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738388 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738389 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738390 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738391 JJ Annotated Anodyne COc1ccc(I)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738461 JJ Annotated Anodyne COc1ccc(I)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738462 JJ Annotated Anodyne COc1ccc(I)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738463 JJ Annotated Anodyne COc1ccc(I)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738464 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738465 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738466 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738467 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(I)c2)N1 ZINC000587738468 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738509 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738511 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738513 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587738515 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(CC)CC ZINC000587738562 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(CC)CC ZINC000587738563 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(CC)CC ZINC000587738564 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(CC)CC ZINC000587738565 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(I)cc2)N1 ZINC000587738627 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(I)cc2)N1 ZINC000587738628 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(I)cc2)N1 ZINC000587738629 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(I)cc2)N1 ZINC000587738630 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(I)c2)N1 ZINC000587738668 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(I)c2)N1 ZINC000587738670 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(I)c2)N1 ZINC000587738672 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(I)c2)N1 ZINC000587738674 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2I)N1 ZINC000587738691 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2I)N1 ZINC000587738692 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2I)N1 ZINC000587738693 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2I)N1 ZINC000587738694 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2I)N1 ZINC000587738759 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2I)N1 ZINC000587738760 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2I)N1 ZINC000587738806 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2I)N1 ZINC000587738807 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(I)c2)N1 ZINC000587738894 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(I)c2)N1 ZINC000587738895 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(I)c2)N1 ZINC000587738897 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(I)c2)N1 ZINC000587738899 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587738992 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587738993 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587738994 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587738995 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2F)N1 ZINC000587739050 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2F)N1 ZINC000587739051 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2F)N1 ZINC000587739052 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2F)N1 ZINC000587739053 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2O)N1 ZINC000587739066 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2O)N1 ZINC000587739067 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2O)N1 ZINC000587739068 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2O)N1 ZINC000587739069 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(I)c2)N1 ZINC000587739074 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(I)c2)N1 ZINC000587739075 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(I)c2)N1 ZINC000587739076 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(I)c2)N1 ZINC000587739077 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ccnc2Cl)N1 ZINC000587739220 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)ccnc2Cl)N1 ZINC000587739221 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ccnc2Cl)N1 ZINC000587739222 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)ccnc2Cl)N1 ZINC000587739223 JJ Annotated Anodyne C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739279 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739281 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739282 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739284 JJ Annotated Mild COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587739319 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587739320 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587739321 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587739323 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587739528 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587739529 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587739530 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587739531 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2I)N1 ZINC000587739719 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2I)N1 ZINC000587739720 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2I)N1 ZINC000587739721 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2I)N1 ZINC000587739722 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(I)c2)N1 ZINC000587739762 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(I)c2)N1 ZINC000587739763 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(I)c2)N1 ZINC000587739764 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(I)c2)N1 ZINC000587739765 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587739766 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587739767 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587739768 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587739769 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2I)N1 ZINC000587739774 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2I)N1 ZINC000587739775 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2I)N1 ZINC000587739776 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2I)N1 ZINC000587739778 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)c(O)c2)N1 ZINC000587739788 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)c(O)c2)N1 ZINC000587739791 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)c(O)c2)N1 ZINC000587739794 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)c(O)c2)N1 ZINC000587739797 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2I)N1 ZINC000587739825 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2I)N1 ZINC000587739826 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2I)N1 ZINC000587739828 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2I)N1 ZINC000587739830 JJ Annotated Mild CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(CC)CC ZINC000587739901 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(CC)CC ZINC000587739902 JJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(CC)CC ZINC000587739903 JJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(CC)CC ZINC000587739904 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587740030 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587740031 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587740032 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](N=O)C(=O)Nc2cccnc2)N1 ZINC000587740033 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587740056 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2I)N1 ZINC000587740057 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2I)N1 ZINC000587740058 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2I)N1 ZINC000587740059 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2I)N1 ZINC000587740060 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587740065 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587740069 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587740071 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(I)c2O)N1 ZINC000587740115 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(I)c2O)N1 ZINC000587740116 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(I)c2O)N1 ZINC000587740117 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(I)c2O)N1 ZINC000587740118 JJ Annotated Clean COc1cccc(NC(=O)C[C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740137 JJ Annotated Anodyne COc1cccc(I)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740143 JJ Annotated Anodyne COc1cccc(I)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740144 JJ Annotated Anodyne COc1cccc(I)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740145 JJ Annotated Anodyne COc1cccc(I)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740146 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740149 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740152 JJ Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740154 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2O)N1 ZINC000587740157 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2O)N1 ZINC000587740158 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2O)N1 ZINC000587740159 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2O)N1 ZINC000587740160 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2I)N1 ZINC000587740177 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2I)N1 ZINC000587740178 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2I)N1 ZINC000587740179 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2I)N1 ZINC000587740180 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587740216 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587740222 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587740223 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587740226 JJ Annotated Mild CCN(CC)C(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740243 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740255 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740256 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740257 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)c(F)c2)N1 ZINC000587740485 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)c(F)c2)N1 ZINC000587740486 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)c(F)c2)N1 ZINC000587740487 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)c(F)c2)N1 ZINC000587740488 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587740505 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587740506 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587740507 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=CN(C)C(Br)=C2F ZINC000587740508 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2N)N1 ZINC000587740509 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2N)N1 ZINC000587740510 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2N)N1 ZINC000587740511 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2N)N1 ZINC000587740512 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2I)N1 ZINC000587740525 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2I)N1 ZINC000587740526 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2I)N1 ZINC000587740527 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2I)N1 ZINC000587740528 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2I)N1 ZINC000587740549 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2I)N1 ZINC000587740550 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2I)N1 ZINC000587740551 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2I)N1 ZINC000587740552 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(I)c2)N1 ZINC000587740561 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(I)c2)N1 ZINC000587740562 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(I)c2)N1 ZINC000587740563 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(I)c2)N1 ZINC000587740564 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587740569 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587740570 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587740571 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2C(=O)O)N1 ZINC000587740572 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2I)N1 ZINC000587740573 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2I)N1 ZINC000587740574 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2I)N1 ZINC000587740575 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2I)N1 ZINC000587740576 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587740624 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587740626 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587740628 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587740630 JJ Annotated Mild CCOC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587740695 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587740697 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587740700 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587740703 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587740833 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587740835 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587740836 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587740839 JJ Annotated Anodyne C[C@H]1CCc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740917 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3CC[C@H]1C ZINC000587740918 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN1c3c2cc(F)c(F)c3CC[C@H]1C ZINC000587740919 JJ Annotated Anodyne C[C@H]1CCc2c(F)c(F)cc3c2N1C=C(C(=O)O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740920 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2O)N1 ZINC000587740921 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2O)N1 ZINC000587740922 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2O)N1 ZINC000587740923 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2O)N1 ZINC000587740924 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2I)N1 ZINC000587740929 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2I)N1 ZINC000587740930 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2I)N1 ZINC000587740931 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2I)N1 ZINC000587740932 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2O)N1 ZINC000587740949 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2O)N1 ZINC000587740950 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2O)N1 ZINC000587740951 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2O)N1 ZINC000587740952 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2N)N1 ZINC000587740973 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2N)N1 ZINC000587740974 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2N)N1 ZINC000587740975 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2N)N1 ZINC000587740976 JJ Annotated Anodyne CCOC(=O)[C@]1(/C=C/Nc2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741047 JJ Annotated Anodyne CCOC(=O)[C@@]1(/C=C/Nc2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741055 JJ Annotated Anodyne CCOC(=O)[C@@]1(/C=C/Nc2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741056 JJ Annotated Anodyne CCOC(=O)[C@]1(/C=C/Nc2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741057 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587741071 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587741073 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587741074 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587741075 JJ Annotated Anodyne CCOC(=O)[C@@]1(/C=C/Nc2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741208 JJ Annotated Anodyne CCOC(=O)[C@]1(/C=C/Nc2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741211 JJ Annotated Anodyne CCOC(=O)[C@]1(/C=C/Nc2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741213 JJ Annotated Anodyne CCOC(=O)[C@@]1(/C=C/Nc2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741216 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741226 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741235 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741237 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741239 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587741255 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587741261 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587741263 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587741266 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741479 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741489 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741493 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741496 JJ Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCCN(C)C ZINC000587741629 JJ Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCCCN(C)C ZINC000587741631 JJ Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCCN(C)C ZINC000587741634 JJ Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCCCN(C)C ZINC000587741638 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587741814 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587741817 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587741820 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)Nc3ccccn3)cc2)N1 ZINC000587741823 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587741850 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587741853 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587741854 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc3ccccc3oc2=O)N1 ZINC000587741857 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587741904 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587741905 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587741906 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Nc3ccccc3)C(=O)c3cccnc32)N1 ZINC000587741907 JJ Annotated Mild COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCCN(C)C ZINC000587742229 JJ Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCCCN(C)C ZINC000587742230 JJ Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCCN(C)C ZINC000587742231 JJ Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCCCN(C)C ZINC000587742233 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587742307 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587742308 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587742309 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Nc1ccccc1)=CC(=O)c1ncccc12 ZINC000587742310 JJ Annotated Mild CCN(CC)C(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742346 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742347 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742348 JJ Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742349 JJ Annotated Anodyne COc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(C)(C)C ZINC000587742401 JJ Annotated Anodyne COc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(C)(C)C ZINC000587742403 JJ Annotated Anodyne COc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(C)(C)C ZINC000587742405 JJ Annotated Anodyne COc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(C)(C)C ZINC000587742406 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587742645 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587742647 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587742649 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742650 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587742651 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742661 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742662 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587742663 JJ Annotated Anodyne COc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(C)(C)C ZINC000587742765 JJ Annotated Anodyne COc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(C)(C)C ZINC000587742767 JJ Annotated Anodyne COc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(C)(C)C ZINC000587742769 JJ Annotated Anodyne COc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(C)(C)C ZINC000587742770 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587742793 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587742794 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587742856 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587742864 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587742866 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587742867 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587742964 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1 ZINC000587742965 JJ Annotated Anodyne Cc1c([N+](=O)[O-])cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587743209 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587743210 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587743212 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587743213 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587743291 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587743294 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587743296 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587743298 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743337 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743362 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743363 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743367 JJ Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587743413 JJ Annotated Reactive CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587743419 JJ Annotated Reactive CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587743422 JJ Annotated Reactive CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587743426 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587743469 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587743471 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587743475 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587743479 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743591 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743592 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743593 JJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743594 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744219 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744227 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744230 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744233 JJ Annotated Anodyne COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744291 JJ Annotated Bother COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744297 JJ Annotated Bother COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744299 JJ Annotated Bother COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744301 JJ Annotated Bother Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744626 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744629 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744632 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744636 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587744671 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587744673 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587744675 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N1 ZINC000587744676 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744691 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744692 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744695 JJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744700 JJ Annotated Anodyne CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744799 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744800 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744802 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744803 JJ Annotated Bother COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744896 JJ Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744897 JJ Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744898 JJ Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744899 JJ Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744900 JJ Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744901 JJ Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744902 JJ Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744903 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587744979 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587744980 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587744981 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587744982 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587745073 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587745075 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587745077 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]ccc2=NC(=O)OC(C)(C)C)N1 ZINC000587745079 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587745496 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587745515 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587745521 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587745525 JJ Annotated Anodyne C/C(N[C@H](CO)C(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745559 JJ Annotated Mild C/C(N[C@H](CO)C(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745571 JJ Annotated Mild C/C(N[C@H](CO)C(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745577 JJ Annotated Mild C/C(N[C@H](CO)C(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745582 JJ Annotated Mild C/C(N[C@H](CO)C(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745586 JJ Annotated Mild CCOC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745587 JJ Annotated Anodyne C/C(N[C@H](CO)C(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745590 JJ Annotated Mild CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745591 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587745592 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745594 JJ Annotated Anodyne C/C(N[C@H](CO)C(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745595 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587745596 JJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587745598 JJ Annotated Anodyne C/C(N[C@H](CO)C(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745599 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587745600 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745602 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnc(N)c(C(=O)O)c3)cc2)N1 ZINC000587745603 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745605 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745609 JJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745613 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587745622 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587745624 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587745627 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587745630 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587745874 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587745877 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C/C2=C/N(C)C)N1 ZINC000587745880 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C/C2=C\N(C)C)N1 ZINC000587745881 JJ Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745928 JJ Annotated Bother COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745930 JJ Annotated Bother COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745932 JJ Annotated Bother COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587745934 JJ Annotated Bother CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587746027 JJ Annotated Reactive CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587746028 JJ Annotated Reactive CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587746029 JJ Annotated Reactive CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](c2ccco2)C(C#N)=C(N)O1 ZINC000587746030 JJ Annotated Reactive Cc1cc(C)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(C#N)c(N)nc1O2 ZINC000587746079 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(C#N)c(N)nc1O2 ZINC000587746084 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(C#N)c(N)nc1O2 ZINC000587746086 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(C#N)c(N)nc1O2 ZINC000587746089 JJ Annotated Mild COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746219 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746220 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746221 JJ Annotated Anodyne COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746222 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587746235 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587746236 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587746237 JJ Annotated Anodyne Cc1cc(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1 ZINC000587746238 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746282 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746283 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746284 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746285 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746321 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746322 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746323 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccc(N)cc2)(c2ccccc2)N1 ZINC000587746325 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746458 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746460 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746462 JJ Annotated Anodyne COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746464 JJ Annotated Anodyne C/C(N[C@H](CO)CC(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746581 JJ Annotated Mild C/C(N[C@H](CO)CC(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746582 JJ Annotated Mild C/C(N[C@H](CO)CC(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746583 JJ Annotated Mild C/C(N[C@H](CO)CC(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746584 JJ Annotated Mild COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cnc1N ZINC000587746622 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cnc1N ZINC000587746623 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cnc1N ZINC000587746624 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cnc1N ZINC000587746625 JJ Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(C#N)c(N)nc1O2 ZINC000587746670 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(C#N)c(N)nc1O2 ZINC000587746671 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(C#N)c(N)nc1O2 ZINC000587746672 JJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(C#N)c(N)nc1O2 ZINC000587746673 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587746979 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587746980 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587746981 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587746982 JJ Annotated Anodyne C/C(N[C@H](CO)CC(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746983 JJ Annotated Mild C/C(N[C@H](CO)CC(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746984 JJ Annotated Mild C/C(N[C@H](CO)CC(C)C)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746985 JJ Annotated Mild C/C(N[C@H](CO)CC(C)C)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746986 JJ Annotated Mild Cc1ccc2c(c1N)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587746997 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587747000 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587747003 JJ Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587747004 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cnc1N ZINC000587747068 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cnc1N ZINC000587747069 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cnc1N ZINC000587747070 JJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cnc1N ZINC000587747071 JJ Annotated Anodyne COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747072 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747074 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747076 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747078 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747432 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747435 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747436 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747439 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587747451 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587747452 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587747453 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3oc(N)nc3c2)N1 ZINC000587747454 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747456 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747458 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747460 JJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747462 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587747557 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587747558 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587747559 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587747560 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587747690 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587747694 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587747696 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587747697 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587747703 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587747705 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587747708 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(N)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587747710 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587747885 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587747887 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587747889 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587747894 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747931 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747932 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747933 JJ Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747934 JJ Annotated Bother COc1cc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1[N+](=O)[O-] ZINC000587748096 JJ Annotated Bother COc1cc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1[N+](=O)[O-] ZINC000587748098 JJ Annotated Bother COc1cc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1[N+](=O)[O-] ZINC000587748119 JJ Annotated Bother COc1cc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1[N+](=O)[O-] ZINC000587748121 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587748254 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587748257 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587748260 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587748262 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587748287 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587748289 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587748291 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C#N)N1 ZINC000587748292 JJ Annotated Mild COc1cc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587748322 JJ Annotated Bother COc1cc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587748325 JJ Annotated Bother COc1cc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587748327 JJ Annotated Bother COc1cc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC ZINC000587748329 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748362 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748363 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748364 JJ Annotated Bother Cc1c([N+](=O)[O-])cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748365 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748415 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748418 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748421 JJ Annotated Bother COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748422 JJ Annotated Bother Cc1nn(Cc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] ZINC000587748459 JJ Annotated Bother Cc1nn(Cc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] ZINC000587748460 JJ Annotated Bother Cc1nn(Cc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] ZINC000587748461 JJ Annotated Bother Cc1nn(Cc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] ZINC000587748462 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748620 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748621 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748622 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748623 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587748666 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587748667 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587748668 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587748669 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587748980 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587748981 JJ Annotated Bother COc1cc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587749118 JJ Annotated Bother COc1cc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587749120 JJ Annotated Bother COc1cc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587749121 JJ Annotated Bother COc1cc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC ZINC000587749122 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587749139 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587749140 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587749142 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 ZINC000587749143 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587749196 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587749197 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587749276 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587749277 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587749278 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587749279 JJ Annotated Bother C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749342 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749343 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCOCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749344 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCOCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749345 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749346 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749347 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749348 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587749351 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749496 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749497 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749498 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749500 JJ Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C(N)=O ZINC000587749721 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C(N)=O ZINC000587749723 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C(N)=O ZINC000587749724 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1C(N)=O ZINC000587749725 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749812 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749813 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749814 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 ZINC000587749815 JJ Annotated Bother Cc1nn(Cc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] ZINC000587749838 JJ Annotated Bother Cc1nn(Cc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] ZINC000587749839 JJ Annotated Bother Cc1nn(Cc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] ZINC000587749840 JJ Annotated Bother Cc1nn(Cc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] ZINC000587749841 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587749860 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587749862 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587749863 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587749864 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749869 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749870 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749871 JJ Annotated Bother COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749872 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587750320 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587750323 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587750325 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587750326 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587750334 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587750337 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587750340 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccccc2N)(c2ccccc2)N1 ZINC000587750344 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750399 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750401 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750402 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750404 JJ Annotated Clean Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587750502 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587750504 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587750505 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587750506 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587750795 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587750797 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587750799 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587750800 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750834 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750836 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750838 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587750839 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587750889 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587750891 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587750892 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587750896 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750929 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750930 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750931 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750933 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587750982 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587750985 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587750988 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(c2ccccc2C(=O)O)N1 ZINC000587750989 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C(N)=O ZINC000587751170 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C(N)=O ZINC000587751171 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C(N)=O ZINC000587751172 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1C(N)=O ZINC000587751173 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587751479 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587751480 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587751481 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 ZINC000587751482 JJ Annotated Bother C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751684 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751688 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCOCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751692 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCOCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751696 JJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751703 JJ Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C(=O)OC(C)(C)C ZINC000587751704 JJ Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C(=O)OC(C)(C)C ZINC000587751706 JJ Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C(=O)OC(C)(C)C ZINC000587751708 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751710 JJ Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C(=O)OC(C)(C)C ZINC000587751711 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751716 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCOCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751721 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587751761 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587751765 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587751770 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OCCN)cc2)N1 ZINC000587751774 JJ Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751801 JJ Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751806 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587751807 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587751808 JJ Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751809 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587751810 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587751811 JJ Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751813 JJ Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751814 JJ Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751816 JJ Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751820 JJ Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751824 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587751983 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587751984 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587751985 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587751986 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587752032 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587752033 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587752034 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 ZINC000587752036 JJ Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752081 JJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752085 JJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752088 JJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752090 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(/C=C/C(=O)O)n(C)c2)N1 ZINC000587752119 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(/C=C/C(=O)O)n(C)c2)N1 ZINC000587752120 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(/C=C\C(=O)O)n(C)c2)N1 ZINC000587752121 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(/C=C\C(=O)O)n(C)c2)N1 ZINC000587752122 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@H]2CCOC2)N1 ZINC000587752223 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2CCOC2)N1 ZINC000587752224 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@H]2CCOC2)N1 ZINC000587752225 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@@H]2CCOC2)N1 ZINC000587752226 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587752293 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587752294 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587752295 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 ZINC000587752296 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587752367 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587752371 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(/C=C/C(=O)O)n(C)c2)N1 ZINC000587752427 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(/C=C/C(=O)O)n(C)c2)N1 ZINC000587752428 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(/C=C\C(=O)O)n(C)c2)N1 ZINC000587752429 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(/C=C\C(=O)O)n(C)c2)N1 ZINC000587752430 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587752539 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587752542 JJ Annotated Mild CC(=O)CC(=O)N(C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587752761 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587752766 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587752767 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587752774 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587752846 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587752847 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587752848 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 ZINC000587752849 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752949 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752950 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752951 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752952 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587753321 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587753322 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587753324 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587753325 JJ Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587753377 JJ Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587753378 JJ Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587753379 JJ Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587753380 JJ Annotated Bother Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753482 JJ Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753484 JJ Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753486 JJ Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753487 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753508 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753513 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753515 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753517 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753585 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753588 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753591 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753593 JJ Annotated Mild CCc1cccc2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn(CC(=O)O)c12 ZINC000587753791 JJ Annotated Anodyne CCc1cccc2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(CC(=O)O)c12 ZINC000587753792 JJ Annotated Anodyne CCc1cccc2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(CC(=O)O)c12 ZINC000587753793 JJ Annotated Anodyne CCc1cccc2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn(CC(=O)O)c12 ZINC000587753794 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587753882 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587753883 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587753885 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587753886 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753948 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753950 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753951 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)NCc3ccco3)cc2)N1 ZINC000587753953 JJ Annotated Anodyne C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753955 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753958 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753962 JJ Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753965 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754045 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754048 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754050 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587754051 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587754162 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587754163 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587754164 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587754165 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587754229 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587754230 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587754232 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccc3ccccc23)(c2nccn2C)N1 ZINC000587754235 JJ Annotated Anodyne Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754303 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754306 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754309 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754311 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587754412 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587754413 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587754416 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587754419 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754421 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754423 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754425 JJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754429 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754432 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754436 JJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754440 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754444 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754619 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754620 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754621 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 ZINC000587754622 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587754667 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587754668 JJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587754669 JJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 ZINC000587754670 JJ Annotated Bother Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754798 JJ Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754799 JJ Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754800 JJ Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754801 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587754893 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587754894 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587754895 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587754896 JJ Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C(=O)OC(C)(C)C ZINC000587755124 JJ Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C(=O)OC(C)(C)C ZINC000587755126 JJ Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C(=O)OC(C)(C)C ZINC000587755128 JJ Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C(=O)OC(C)(C)C ZINC000587755130 JJ Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2-c1ncccn1 ZINC000587755193 JJ Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2-c1ncccn1 ZINC000587755194 JJ Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2-c1ncccn1 ZINC000587755195 JJ Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2-c1ncccn1 ZINC000587755196 JJ Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2-c1ncccn1 ZINC000587755237 JJ Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2-c1ncccn1 ZINC000587755238 JJ Annotated Anodyne COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2-c1ncccn1 ZINC000587755239 JJ Annotated Anodyne COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2-c1ncccn1 ZINC000587755240 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587756025 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587756027 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587756028 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(CC(=O)O)c3ccccc23)(C2CC2)N1 ZINC000587756029 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756123 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756126 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756127 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756128 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756159 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756161 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756164 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756166 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756191 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756194 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756197 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)N1 ZINC000587756199 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587756221 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587756222 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587756223 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587756224 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757578 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757587 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757589 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587757591 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587758196 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587758197 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587758198 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587758199 JJ Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587758301 JJ Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587758304 JJ Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587758308 JJ Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587758311 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587758340 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587758343 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587758349 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc2ncccc12 ZINC000587758350 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587758352 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc2ncccc12 ZINC000587758355 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc2ncccc12 ZINC000587758357 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc2ncccc12 ZINC000587758359 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587758434 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587758436 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587758438 JJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587758439 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587758503 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587758504 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587758506 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc2ccncc2)N1 ZINC000587758508 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758556 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758557 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758558 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758559 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587758698 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587758699 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587758700 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587758701 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587758837 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587758840 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587758843 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587758844 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)N1 ZINC000587758847 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587758855 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587758860 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587758865 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@H]2CCOC2)N1 ZINC000587759012 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2CCOC2)N1 ZINC000587759014 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@H]2CCOC2)N1 ZINC000587759016 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@@H]2CCOC2)N1 ZINC000587759019 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759090 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759094 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759096 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759097 JJ Annotated Mild CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759320 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759321 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759322 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759323 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587759422 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587759437 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587759439 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587759441 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587759568 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587759569 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587759570 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)N1 ZINC000587759571 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587759750 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587759752 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587759754 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587759756 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759784 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759787 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759789 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587759791 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760103 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760104 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760105 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760107 JJ Annotated Anodyne Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760118 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760119 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760120 JJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760121 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587760170 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587760171 JJ Annotated Anodyne CCc1cccc2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn(CC(=O)O)c12 ZINC000587760260 JJ Annotated Anodyne CCc1cccc2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(CC(=O)O)c12 ZINC000587760263 JJ Annotated Anodyne CCc1cccc2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(CC(=O)O)c12 ZINC000587760265 JJ Annotated Anodyne CCc1cccc2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn(CC(=O)O)c12 ZINC000587760267 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760329 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760335 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760336 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760337 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760338 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760339 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760340 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760341 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760342 JJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760343 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760344 JJ Annotated Anodyne COC1=CN(c2ccc(C)cc2)C(C(=O)O)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760346 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760454 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760455 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760456 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760457 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760480 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760481 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760483 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760485 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760641 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760642 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760644 JJ Annotated Anodyne CC(C)NC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760646 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587760674 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587760680 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587760682 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587760684 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760859 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760860 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760861 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587760862 JJ Annotated Mild COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761039 JJ Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761040 JJ Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761041 JJ Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761042 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761051 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761052 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761053 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761054 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761087 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761088 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761089 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCN2C(=O)c3ccccc3C2=O)N1 ZINC000587761090 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587761248 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587761250 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587761253 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587761255 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761517 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761518 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761519 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761520 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587761565 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587761566 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587761567 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587761568 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761589 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761590 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761591 JJ Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761592 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761593 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761594 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761595 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587761596 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587761601 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(N3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587761602 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587761627 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587761628 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587761629 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587761630 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761909 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761911 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761912 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587761913 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587761920 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587761921 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761926 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761927 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761929 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761930 JJ Annotated Mild CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762068 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762071 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762074 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762077 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc2ncccc12 ZINC000587762096 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc2ncccc12 ZINC000587762097 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc2ncccc12 ZINC000587762099 JJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc2ncccc12 ZINC000587762101 JJ Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587762168 JJ Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587762170 JJ Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587762173 JJ Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OCc2ccccc2)=CN1CC(=O)O ZINC000587762175 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587762388 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587762389 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587762390 JJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587762391 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587762602 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587762603 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587762604 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)N1 ZINC000587762605 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587762618 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587762619 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587762620 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)N1 ZINC000587762621 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587762700 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587762701 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587762702 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)N1 ZINC000587762703 JJ Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762738 JJ Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762739 JJ Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762740 JJ Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762741 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587762942 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)N1 ZINC000587762943 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587763060 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587763061 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587763062 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587763063 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587763108 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587763109 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587763110 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587763111 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587763136 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2[C@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587763137 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587763138 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2[C@@H]2COCCN2C(=O)OC(C)(C)C)N1 ZINC000587763139 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587763186 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587763187 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587763188 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587763189 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763300 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763301 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763302 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763303 JJ Annotated Mild CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763457 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763459 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763461 JJ Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763463 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763480 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763482 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763484 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763486 JJ Annotated Anodyne COc1ccc(-c2nn(CCC#N)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763692 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763693 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763694 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763695 JJ Annotated Mild Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763918 JJ Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763921 JJ Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763922 JJ Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763924 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763941 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763943 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763945 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587763947 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763963 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763965 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763967 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763969 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764026 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764027 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764028 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764029 JJ Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 ZINC000587764070 JJ Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 ZINC000587764071 JJ Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 ZINC000587764072 JJ Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 ZINC000587764073 JJ Annotated Clean C=CN1CCCC[C@H]([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764094 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764095 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764096 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587764097 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764318 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764319 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764320 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764321 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587764362 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587764363 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587764364 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587764365 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587764496 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587764497 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587764498 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587764499 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764629 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764631 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764632 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)N1 ZINC000587764634 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764669 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764670 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764672 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)N1 ZINC000587764673 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587764839 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587764840 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587764841 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587764842 JJ Annotated Anodyne COc1ccc(-c2nn(CCC#N)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764847 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764848 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764849 JJ Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764850 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587764922 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587764923 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587764925 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587764926 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587764979 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587764980 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587764982 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587764983 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587765039 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587765040 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587765041 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587765042 JJ Annotated Clean CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765063 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765064 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765065 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765066 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587765154 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587765156 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587765159 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587765161 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(CC(=O)O)c1ccccc12 ZINC000587765164 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(CC(=O)O)c1ccccc12 ZINC000587765167 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765199 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765201 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765203 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765204 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587765272 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587765279 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587765285 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587765292 JJ Annotated Mild Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587765398 JJ Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587765400 JJ Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587765401 JJ Annotated Anodyne Cc1c(C[C@H](CNC(=O)OC(C)(C)C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587765402 JJ Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765524 JJ Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765525 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765536 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765537 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765538 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587765539 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587765608 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587765609 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587765610 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N2CCCCC2)N1 ZINC000587765611 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(CC(=O)O)c1ccccc12 ZINC000587765682 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(CC(=O)O)c1ccccc12 ZINC000587765683 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765684 JJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765685 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765686 JJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765687 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587765712 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587765713 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587765714 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587765715 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765731 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765732 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765733 JJ Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765736 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765774 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765776 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765778 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765780 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765867 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765868 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765869 JJ Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765870 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587765885 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587765886 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587765887 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C(=O)OC(C)(C)C)c3ncccc23)N1 ZINC000587765888 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587765890 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587765892 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587765894 JJ Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587765896 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765960 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765961 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765962 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587765963 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765964 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765965 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765966 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587765967 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587766127 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587766129 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587766130 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587766131 JJ Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 ZINC000587766191 JJ Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 ZINC000587766194 JJ Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 ZINC000587766196 JJ Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 ZINC000587766198 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587766207 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587766210 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587766212 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587766215 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587766412 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587766415 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587766417 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587766419 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)/C2=C/N(C)C)N1 ZINC000587766573 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)/C2=C/N(C)C)N1 ZINC000587766578 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)/C2=C\N(C)C)N1 ZINC000587766579 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)/C2=C\N(C)C)N1 ZINC000587766581 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587766891 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587766892 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587766893 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCN(Cc3ccccc3)CC2)N1 ZINC000587766895 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587767004 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587767008 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587767012 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587767014 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587767119 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587767120 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587767122 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)N1 ZINC000587767125 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2C[C@@H](C)O[C@H](C)C2)N1 ZINC000587767179 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587767187 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@H](C)O1 ZINC000587767189 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587767191 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)N1 ZINC000587767535 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)N1 ZINC000587767536 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)N1 ZINC000587767537 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)N1 ZINC000587767538 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2C[C@@H](C)O[C@H](C)C2)N1 ZINC000587767754 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587767755 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@H](C)O1 ZINC000587767756 JJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587767758 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587767798 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587767799 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587767801 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587767804 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587768091 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587768093 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587768095 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC3(CCN(C(=O)OC(C)(C)C)CC3)C2)N1 ZINC000587768098 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587768120 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587768122 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587768124 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCN(Cc3ccccc3)CC2)N1 ZINC000587768126 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587768139 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587768140 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587768142 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587768143 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768208 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768209 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768210 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587768211 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768296 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768298 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768301 JJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768303 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768528 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768532 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768533 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768535 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587768562 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587768566 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587768568 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587768569 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768921 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768924 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768925 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768926 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587768977 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587768979 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587768980 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587768981 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587769148 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587769149 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587769150 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 ZINC000587769151 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587769216 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587769219 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587769220 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)N1 ZINC000587769223 JJ Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769338 JJ Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769340 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769350 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769354 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587769373 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587769377 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587769381 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587769383 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769485 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769521 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769522 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769523 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587769590 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587769591 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587769592 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CN3CCCC3)c(C#N)c3ccccn23)N1 ZINC000587769593 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769606 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769607 JJ Annotated Reactive Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587769608 JJ Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587769609 JJ Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587769610 JJ Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587769611 JJ Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769704 JJ Annotated Anodyne Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769705 JJ Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769706 JJ Annotated Anodyne Cc1ccc([C@]2(C(C)(C)N3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587769707 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769708 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769709 JJ Annotated Anodyne COC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769710 JJ Annotated Clean COC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769711 JJ Annotated Clean COC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769712 JJ Annotated Clean COC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769713 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)/C2=C\N(C)C)N1 ZINC000587769716 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OC(C)(C)C)/C2=C\N(C)C)N1 ZINC000587769717 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)/C2=C/N(C)C)N1 ZINC000587769718 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OC(C)(C)C)/C2=C/N(C)C)N1 ZINC000587769719 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769799 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769801 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769803 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCC(N(C)C)CC2)(c2c[nH]c3ccccc23)N1 ZINC000587769805 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769808 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1 ZINC000587769811 JJ Annotated Reactive Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769910 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769913 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769915 JJ Annotated Anodyne Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769916 JJ Annotated Anodyne CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770037 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770063 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770064 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770065 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770067 JJ Annotated Anodyne CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770070 JJ Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770071 JJ Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCOCC1 ZINC000587770074 JJ Annotated Anodyne CC(C)n1cc([C@@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587770086 JJ Annotated Mild CC(C)n1cc([C@@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587770094 JJ Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587770096 JJ Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587770099 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587770101 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587770103 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587770106 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587770107 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 ZINC000587770172 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770225 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770226 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770227 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770228 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770261 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770262 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770263 JJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770264 JJ Annotated Mild COCOc1cccc([C@@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770418 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770420 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770421 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770423 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 ZINC000587770439 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587770446 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587770453 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587770457 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587770461 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587770472 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770475 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587770476 JJ Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770479 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587770480 JJ Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770482 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587770484 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587770485 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587770501 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587770504 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587770506 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587770507 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587770578 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587770580 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587770581 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587770583 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587770585 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587770587 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587770589 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770639 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770658 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770662 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770665 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587770755 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587770756 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587770757 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587770758 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587770795 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587770796 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587770797 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000587770798 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587770821 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587770822 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587770823 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 ZINC000587770824 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587770861 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587770862 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587770863 JJ Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587770864 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770873 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770874 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770875 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770876 JJ Annotated Anodyne COC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587771107 JJ Annotated Clean COC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587771110 JJ Annotated Clean COC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587771113 JJ Annotated Clean COC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587771115 JJ Annotated Clean Cc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCOCC3)nc2c1 ZINC000587771158 JJ Annotated Anodyne Cc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCOCC3)nc2c1 ZINC000587771166 JJ Annotated Anodyne Cc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCOCC3)nc2c1 ZINC000587771169 JJ Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCOCC3)nc2c1 ZINC000587771173 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)N1 ZINC000587771256 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)N1 ZINC000587771261 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587771317 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587771320 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587771324 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587771326 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587771328 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587771332 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587771334 JJ Annotated Anodyne CC(C)n1cc([C@@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587771339 JJ Annotated Mild CC(C)n1cc([C@@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587771342 JJ Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587771346 JJ Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587771350 JJ Annotated Mild CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771499 JJ Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771504 JJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771507 JJ Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771510 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(CC(=O)OCc3ccccc3)CC2)N1 ZINC000587771648 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(CC(=O)OCc3ccccc3)CC2)N1 ZINC000587771650 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(CC(=O)OCc3ccccc3)CC2)N1 ZINC000587771652 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(CC(=O)OCc3ccccc3)CC2)N1 ZINC000587771653 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771680 JJ Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771682 JJ Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771684 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587771686 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587771807 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587771808 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587771809 JJ Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587771810 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587771882 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587771883 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587771885 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587771886 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771990 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771991 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771992 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3n2CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771994 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587772053 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587772054 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587772055 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587772056 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587772057 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587772060 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587772063 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587772066 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772206 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772208 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772211 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772213 JJ Annotated Clean CC1CCN(C(=O)COc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772250 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772252 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772254 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587772256 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587772276 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587772277 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587772278 JJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587772279 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772309 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772311 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772313 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772315 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587772474 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587772477 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587772480 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587772483 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587772781 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587772782 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587772783 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587772784 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587772994 JJ Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587772996 JJ Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587772997 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587772998 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587773076 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587773079 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587773085 JJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587773089 JJ Annotated Anodyne Cc1cc2c(nc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCN2C(=O)C(C)(C)C ZINC000587773160 JJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCN2C(=O)C(C)(C)C ZINC000587773161 JJ Annotated Anodyne Cc1cc2c(nc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCN2C(=O)C(C)(C)C ZINC000587773162 JJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCN2C(=O)C(C)(C)C ZINC000587773163 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587773226 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587773227 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587773228 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587773229 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 ZINC000587773547 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 ZINC000587773549 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C2)N1 ZINC000587773552 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)N1 ZINC000587773553 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)N1 ZINC000587773555 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)N1 ZINC000587773557 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587773635 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587773637 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587773640 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587773643 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587773812 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587773813 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587773814 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc4c(c3)OCCO4)nc3ncccn23)N1 ZINC000587773815 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587773993 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587773994 JJ Annotated Anodyne Cc1cc2c(nc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCN2C(=O)C(C)(C)C ZINC000587774164 JJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCN2C(=O)C(C)(C)C ZINC000587774166 JJ Annotated Anodyne Cc1cc2c(nc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCN2C(=O)C(C)(C)C ZINC000587774167 JJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCN2C(=O)C(C)(C)C ZINC000587774168 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)N1 ZINC000587774169 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)N1 ZINC000587774170 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774200 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774201 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774202 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774203 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587774280 JJ Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587774281 JJ Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587774282 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587774283 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccnc1 ZINC000587774304 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccnc1 ZINC000587774305 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccnc1 ZINC000587774306 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cccnc1 ZINC000587774307 JJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774468 JJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774469 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774653 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774654 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774655 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587774656 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587774769 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587774770 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587774771 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587774772 JJ Annotated Anodyne Cc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCOCC3)nc2c1 ZINC000587774872 JJ Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCOCC3)nc2c1 ZINC000587774873 JJ Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCOCC3)nc2c1 ZINC000587774874 JJ Annotated Anodyne Cc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCOCC3)nc2c1 ZINC000587774875 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774977 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774978 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774979 JJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587774980 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587775069 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587775070 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587775071 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(C(=O)O)cc2)N1 ZINC000587775072 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775081 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775082 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775083 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775084 JJ Annotated Anodyne CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587775426 JJ Annotated Anodyne CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587775428 JJ Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587775429 JJ Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCOCC1 ZINC000587775430 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587775459 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587775460 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587775461 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)N1 ZINC000587775462 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775617 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775618 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775619 JJ Annotated Anodyne COc1ccc(OC)c(-c2nc3ncccn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587775620 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccnc1 ZINC000587775621 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccnc1 ZINC000587775622 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccnc1 ZINC000587775623 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cccnc1 ZINC000587775624 JJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775767 JJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775768 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587775769 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587775772 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587775774 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587775776 JJ Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587776149 JJ Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587776151 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C2)N1 ZINC000587776261 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)N1 ZINC000587776262 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)N1 ZINC000587776263 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)N1 ZINC000587776264 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776328 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776329 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776330 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776331 JJ Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776923 JJ Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776926 JJ Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776928 JJ Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776930 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587777099 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587777101 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587777102 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000587777103 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777116 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777118 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777244 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777246 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777248 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777250 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587777429 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587777430 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587777431 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587777432 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777433 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777434 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777436 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777438 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccncc1 ZINC000587777909 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccncc1 ZINC000587777910 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccncc1 ZINC000587777911 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccncc1 ZINC000587777912 JJ Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777965 JJ Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777966 JJ Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777967 JJ Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587777968 JJ Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587778044 JJ Annotated Anodyne CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)c1 ZINC000587778215 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778226 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778227 JJ Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778229 JJ Annotated Anodyne COCOc1ccccc1[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778230 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587778241 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587778242 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587778243 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 ZINC000587778246 JJ Annotated Anodyne CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587778272 JJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccncc1 ZINC000587778613 JJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccncc1 ZINC000587778614 JJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccncc1 ZINC000587778615 JJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccncc1 ZINC000587778616 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587778661 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587778662 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587778663 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587778664 JJ Annotated Anodyne CCOc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1C ZINC000587778721 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587779170 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587779171 JJ Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587779172 JJ Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587779174 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779533 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779534 JJ Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779542 JJ Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779544 JJ Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587780104 JJ Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587780105 JJ Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)c1 ZINC000587780490 JJ Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c1 ZINC000587781527 JJ Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587781555 JJ Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782079 JJ Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782081 JJ Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782299 JJ Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782300 JJ Annotated Anodyne O=C(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCc1ccccc1 ZINC000587782900 JJ Annotated Anodyne O=C(O)c1cc2[nH]c(CCOCC3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587783595 JJ Annotated Bother COC(=O)C[C@H](C)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587784218 JJ Annotated Bother COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(O)c1O ZINC000587784979 JJ Annotated Clean COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(O)c1O ZINC000587784980 JJ Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cc(O)c(O)c(OC)c5)[nH]c4c3)o2)cc1 ZINC000587785182 JJ Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cc(O)c(O)c(OC)c5)[nH]c4c3)o2)cc1 ZINC000587785183 JJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cncc(Cl)c2[nH]1 ZINC000587786003 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587786136 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(OC)c2[nH]1 ZINC000587786184 JJ Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c1 ZINC000587786215 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587786269 JJ Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(O)c1O ZINC000587786380 JJ Annotated Clean COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(O)c1O ZINC000587786381 JJ Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587786765 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587786832 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587786919 JJ Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587786989 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587787011 JJ Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587787180 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCC(=O)c4cc(C)ccc4OC)[nH]c3c2)cc1 ZINC000587787317 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587787549 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587787580 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587787659 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587787705 JJ Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587787802 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587788110 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587788121 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587788135 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587788144 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587788167 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)cc(F)c2[nH]1 ZINC000587788212 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587788259 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000587788281 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587788285 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)c(F)cc2[nH]1 ZINC000587788288 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(OC)cc2[nH]1 ZINC000587788302 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587788312 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587788338 JJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587788364 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788945 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788948 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788949 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788950 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587789014 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587789018 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587789021 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587789023 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587789366 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587789369 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587789371 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587789372 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789391 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789394 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789396 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789398 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789571 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789574 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789578 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789581 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587789870 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587789876 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587789879 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587789884 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789916 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789934 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789937 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587789939 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587789956 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587789959 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587789960 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587789961 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790681 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790682 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790683 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790684 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)N1 ZINC000587790701 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)N1 ZINC000587790702 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790791 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790792 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790793 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587790794 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791015 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791019 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791021 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791023 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791076 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791079 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791080 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587791081 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)N1 ZINC000587791094 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)N1 ZINC000587791096 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791271 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791272 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791273 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791274 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791451 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791452 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791453 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791454 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(C)CC3)nc12 ZINC000587791526 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(C)CC3)nc12 ZINC000587791538 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(C)CC3)nc12 ZINC000587791542 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(C)CC3)nc12 ZINC000587791545 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587791560 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791561 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587791563 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587791564 JJ Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587791568 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791589 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791593 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791596 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791765 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791768 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791770 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791772 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791903 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791904 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791905 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791906 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791947 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791948 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791949 JJ Annotated Anodyne COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791950 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587792028 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587792031 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587792033 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587792035 JJ Annotated Clean C[C@H](Oc1ccc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O ZINC000587792106 JJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O ZINC000587792107 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(O[C@H](C)C(=O)O)cc2)N1 ZINC000587792109 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(O[C@H](C)C(=O)O)cc2)N1 ZINC000587792112 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792113 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792115 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792117 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792119 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792150 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792153 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792154 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792155 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCC(=O)O ZINC000587792432 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCC(=O)O ZINC000587792439 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCC(=O)O ZINC000587792441 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCC(=O)O ZINC000587792443 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792661 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792665 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792667 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792669 JJ Annotated Anodyne CCOC(COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587792792 JJ Annotated Anodyne CCOC(COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587792799 JJ Annotated Anodyne CCOC(COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587792802 JJ Annotated Anodyne CCOC(COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587792805 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587792979 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587792984 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587792986 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587792989 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1c1ccccc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793338 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1c1ccccc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793344 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1c1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793347 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1c1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793350 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793440 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793442 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793443 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793445 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793450 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793452 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793454 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793456 JJ Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793540 JJ Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793541 JJ Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793542 JJ Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793543 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCC(=O)O ZINC000587793544 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCC(=O)O ZINC000587793545 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCC(=O)O ZINC000587793546 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCC(=O)O ZINC000587793547 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)N1 ZINC000587793725 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)N1 ZINC000587793727 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587793729 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](C(=O)O)N3)N1 ZINC000587793731 JJ Annotated Clean CCOC(=O)C[C@]1(COc2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793861 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793863 JJ Annotated Anodyne CCOC(=O)C[C@]1(COc2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793865 JJ Annotated Anodyne CCOC(=O)C[C@@]1(COc2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793866 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793944 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793946 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793948 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793950 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793965 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793967 JJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793969 JJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793970 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794258 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794259 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794260 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794261 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794385 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794387 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794389 JJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794392 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587794693 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587794695 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587794697 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587794699 JJ Annotated Clean COCCCc1cc(OC)c(OC)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794747 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794750 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794753 JJ Annotated Anodyne COCCCc1cc(OC)c(OC)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794755 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794826 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794827 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794828 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794829 JJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O ZINC000587795001 JJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O ZINC000587795003 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(O[C@H](C)C(=O)O)cc2)N1 ZINC000587795005 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(O[C@H](C)C(=O)O)cc2)N1 ZINC000587795007 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587795139 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587795141 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587795143 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OCCC(=O)O)cc2)N1 ZINC000587795145 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795233 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795236 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795239 JJ Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795241 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587795306 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587795307 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587795308 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587795309 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795636 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795637 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795638 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587795639 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795706 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795708 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795710 JJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795714 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)N1 ZINC000587795982 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)N1 ZINC000587795987 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 ZINC000587795990 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](C(=O)O)N3)N1 ZINC000587795994 JJ Annotated Clean Cc1ccc2nc(N3CCCCC3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587796191 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587796203 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587796207 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587796208 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587796209 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587796213 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587796214 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587796215 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796277 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796278 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796279 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796280 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796444 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796446 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796448 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587796450 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587796759 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587796761 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587796765 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3cc(C(=O)O)no3)c2)N1 ZINC000587796768 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797126 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797127 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797129 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797132 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797417 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797418 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797419 JJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797420 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797615 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797620 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@]2(C(=O)OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797622 JJ Annotated Anodyne CCCOc1ccc(C(=O)C[C@@]2(C(=O)OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797624 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797695 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797696 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797698 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797699 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587797727 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587797728 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587797729 JJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587797730 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587797794 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587797795 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587797796 JJ Annotated Anodyne Cc1ccc2nc(NCc3ccco3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587797797 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587797798 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587797799 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587797804 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587797805 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587797806 JJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587797807 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587797864 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587797865 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587797866 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(OC(C)(C)C(=O)O)ccc32)N1 ZINC000587797867 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1c1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798052 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1c1ccccc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798055 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1c1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798058 JJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1c1ccccc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798061 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587798098 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587798101 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587798104 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)OC(C)(C)C)cc2)N1 ZINC000587798106 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587798157 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587798159 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587798161 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587798163 JJ Annotated Anodyne CCOC(COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587798228 JJ Annotated Anodyne CCOC(COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587798229 JJ Annotated Anodyne CCOC(COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587798230 JJ Annotated Anodyne CCOC(COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587798231 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587798300 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)n2c1 ZINC000587798301 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798394 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798395 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798396 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798397 JJ Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798440 JJ Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798441 JJ Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798442 JJ Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798443 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798472 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798474 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798476 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798478 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798730 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798731 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798732 JJ Annotated Anodyne CC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798733 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799387 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799388 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799389 JJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799390 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(C)CC3)nc12 ZINC000587799392 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(C)CC3)nc12 ZINC000587799393 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(C)CC3)nc12 ZINC000587799394 JJ Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(C)CC3)nc12 ZINC000587799395 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799447 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799449 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799451 JJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799453 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587799508 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587799510 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587799512 JJ Annotated Anodyne Cc1ccc2nc(N3CCC(C)CC3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)n2c1 ZINC000587799514 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799541 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799543 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799544 JJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799546 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799620 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799621 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799623 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799625 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799906 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799907 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799908 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799909 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799910 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799911 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799912 JJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799913 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799964 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799965 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800034 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800035 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800036 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800037 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800118 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800119 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800120 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800121 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800164 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800165 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800306 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800307 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800308 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800309 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800452 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800453 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800454 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800455 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(C)ccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800780 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(C)ccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800781 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800782 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800783 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801177 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801178 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801179 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587801180 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587801674 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587801675 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587801677 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587801679 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801727 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801729 JJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801731 JJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587801733 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801943 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801944 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801945 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801946 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587801951 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587801952 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587801953 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587801954 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587802195 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587802196 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587802197 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3[nH]c(=N)[nH]c3c2)N1 ZINC000587802198 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802433 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802434 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802435 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802436 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802471 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802472 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802473 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802474 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587802595 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587802596 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587802597 JJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587802598 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802837 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802838 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802840 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802841 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803716 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803717 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803718 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803719 JJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804167 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804169 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804172 JJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804174 JJ Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587804245 JJ Annotated Clean COc1ccc(C2(c3ccc(OC)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587804247 JJ Annotated Clean COc1ccc([C@]2(CC(C)(C)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804294 JJ Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804295 JJ Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804296 JJ Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804297 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804444 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804445 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccccc2OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804446 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccccc2OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804447 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804673 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804678 JJ Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804683 JJ Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804689 JJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805027 JJ Annotated Clean COc1ccc([C@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805028 JJ Annotated Clean COc1ccc([C@@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805029 JJ Annotated Clean COc1ccc([C@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587805030 JJ Annotated Clean COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587805300 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587805301 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587805302 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587805304 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587805310 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587805311 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587805313 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587805314 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805560 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805566 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805568 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805570 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805623 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805625 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805626 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805628 JJ Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805771 JJ Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805773 JJ Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805777 JJ Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805780 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806003 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806006 JJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806011 JJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806015 JJ Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806214 JJ Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806215 JJ Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806216 JJ Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806217 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806242 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806243 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806244 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806245 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807204 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807208 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807211 JJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807214 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807228 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807230 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807238 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807240 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807242 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807243 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807287 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807288 JJ Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807667 JJ Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807670 JJ Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807671 JJ Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807672 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808235 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808237 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808239 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808241 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808268 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808269 JJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808270 JJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808271 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808862 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808863 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808864 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587808865 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808870 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808871 JJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808872 JJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808873 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808950 JJ Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808951 JJ Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808952 JJ Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808953 JJ Annotated Clean COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809878 JJ Annotated Clean COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809880 JJ Annotated Clean COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809882 JJ Annotated Clean COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809884 JJ Annotated Clean COC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809981 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809985 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809988 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809991 JJ Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810089 JJ Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810093 JJ Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810110 JJ Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810114 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810340 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810341 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810342 JJ Annotated Anodyne COc1cc(CCCC(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810343 JJ Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587810632 JJ Annotated Clean COc1ccc(C2(c3ccc(OC)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587810636 JJ Annotated Clean COc1cc(O)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(C)cc(O)c1C2=O ZINC000587810711 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(C)cc(O)c1C2=O ZINC000587810718 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(C)cc(O)c1C2=O ZINC000587810724 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(C)cc(O)c1C2=O ZINC000587810729 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810741 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810744 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810746 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810749 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810773 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810775 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810776 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587810778 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810874 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810876 JJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810879 JJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810881 JJ Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811065 JJ Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811066 JJ Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811068 JJ Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811070 JJ Annotated Clean COC(=O)CCC[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811099 JJ Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811100 JJ Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811101 JJ Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811102 JJ Annotated Anodyne COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811126 JJ Annotated Clean COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811128 JJ Annotated Clean COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811131 JJ Annotated Clean COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811132 JJ Annotated Clean COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811180 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811182 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811184 JJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811186 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811302 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811303 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811304 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811305 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811550 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811553 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811555 JJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811557 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(C)cc(O)c1C2=O ZINC000587811665 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(C)cc(O)c1C2=O ZINC000587811667 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(C)cc(O)c1C2=O ZINC000587811669 JJ Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(C)cc(O)c1C2=O ZINC000587811671 JJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587811936 JJ Annotated Clean COc1ccc([C@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587811938 JJ Annotated Clean COc1ccc([C@@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587811940 JJ Annotated Clean COc1ccc([C@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587811943 JJ Annotated Clean COc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811956 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811958 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811961 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811963 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811975 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811976 JJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811979 JJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811980 JJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811987 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811990 JJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811993 JJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811996 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812264 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812266 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812268 JJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812270 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814821 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814824 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814826 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814828 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587816661 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587816662 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587816663 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587816664 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819531 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819540 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819542 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819543 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587819544 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587819545 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587819546 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587819547 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819980 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819981 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819983 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 ZINC000587819985 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587820107 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587820108 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587820109 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587820110 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587820306 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587820307 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587820308 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587820309 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)C[C@]12O ZINC000587821334 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)C[C@]12O ZINC000587821335 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)C[C@]12O ZINC000587821336 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)C[C@]12O ZINC000587821337 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821686 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821688 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821690 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821692 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821858 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821859 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821860 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 ZINC000587821861 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587822607 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587822608 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587822609 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587822610 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587822937 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587822938 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587822941 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 ZINC000587822942 JJ Annotated Clean COC(=O)CCCCCCC1=C[C@@H](O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823826 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823832 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823834 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823836 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823980 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823982 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823984 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@@H](O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823986 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)C[C@]12O ZINC000587824127 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)C[C@]12O ZINC000587824130 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)C[C@]12O ZINC000587824132 JJ Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H]([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)C[C@]12O ZINC000587824134 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587824323 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587824324 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587824325 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 ZINC000587824326 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587825146 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587825147 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587825149 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587825150 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587825364 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587825365 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587825726 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587825729 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825863 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825864 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825865 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825866 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587826046 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587826048 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587826050 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 ZINC000587826051 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826303 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(C(=O)O)ccc1-c1ccc(C(=O)O)cc12 ZINC000587826304 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826305 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(C(=O)O)ccc1-c1ccc(C(=O)O)cc12 ZINC000587826306 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826307 JJ Annotated Clean CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826308 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587826331 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587826335 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587826336 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587826338 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@]2(CC(=O)O)c1ccccc1 ZINC000587826535 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@]2(CC(=O)O)c1ccccc1 ZINC000587826536 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@]2(CC(=O)O)c1ccccc1 ZINC000587826537 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@]2(CC(=O)O)c1ccccc1 ZINC000587826538 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587826678 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587826679 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587826680 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587826681 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826990 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826991 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826992 JJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826993 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587827287 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587827291 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587827296 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587827297 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc3ccccc3o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827492 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc3ccccc3o2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827493 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc3ccccc3o2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827494 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc3ccccc3o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827495 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(C(=O)O)ccc1-c1ccc(C(=O)O)cc12 ZINC000587827784 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(C(=O)O)ccc1-c1ccc(C(=O)O)cc12 ZINC000587827785 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828036 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828228 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828229 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828230 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc3ccccc3o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828473 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc3ccccc3o2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828474 JJ Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc3ccccc3o2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828476 JJ Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc3ccccc3o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828477 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587828562 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587828563 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587828565 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587828567 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@]2(CC(=O)O)c1ccccc1 ZINC000587828605 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@]2(CC(=O)O)c1ccccc1 ZINC000587828607 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@]2(CC(=O)O)c1ccccc1 ZINC000587828608 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@]2(CC(=O)O)c1ccccc1 ZINC000587828610 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828801 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828804 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828807 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CC(=O)O)ccc12 ZINC000587828808 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587829079 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587829082 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587829084 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)cc12 ZINC000587829086 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587829115 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587829117 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587829118 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)O)c(C(=O)O)c2)N1 ZINC000587829120 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829230 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829231 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829232 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829233 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](OCc2ccccc2)[C@@H]2COC(C)(C)O2)N1 ZINC000587829246 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)N1 ZINC000587829247 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](OCc2ccccc2)[C@@H]2COC(C)(C)O2)N1 ZINC000587829248 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)N1 ZINC000587829249 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587829280 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587829286 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587829288 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587829291 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829391 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829394 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829397 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829399 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587829483 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587829484 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587829485 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(C(=O)O)ccc12 ZINC000587829486 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829766 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829767 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829768 JJ Annotated Anodyne COC(=O)CCCCCCC1=C[C@H](O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829771 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587830008 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587830011 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587830015 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 ZINC000587830018 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831143 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831144 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831145 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831147 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587831162 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587831165 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587831168 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587831171 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587831253 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587831256 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587831260 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587831263 JJ Annotated Clean CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831902 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831907 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831914 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831921 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831926 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831931 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831935 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)N1 ZINC000587831939 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832012 JJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832023 JJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832024 JJ Annotated Clean Cc1c(O)cc2c(c1O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587832026 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587832118 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587832121 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587832124 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832129 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832409 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832413 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832418 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CC(=O)O)cc12 ZINC000587832420 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587832980 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587832981 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587832982 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587832983 JJ Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587833297 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587833298 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587833299 JJ Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587833300 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587833334 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587833336 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587833338 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587833341 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587833471 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587833473 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587833476 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587833480 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587833565 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587833566 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587833567 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587833568 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587833585 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587833586 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587833587 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587833588 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587833673 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587833684 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587833686 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587833690 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833729 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833732 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833735 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833738 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833741 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833745 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833747 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(CC(=O)O)ccc1COc1ccccc12 ZINC000587833751 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587833784 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587833788 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587833792 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587833794 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587834099 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587834102 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587834105 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587834108 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587834123 JJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587834124 JJ Annotated Clean Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587834125 JJ Annotated Clean Cc1c(O)cc2c(c1O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587834126 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587834674 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587834676 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587834678 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2cccc(O)c2)N1 ZINC000587834679 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834783 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834784 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834785 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834786 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587834817 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587834819 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587834821 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587834823 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834875 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834878 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834880 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834882 JJ Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587834915 JJ Annotated Clean CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587834917 JJ Annotated Clean CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587834920 JJ Annotated Clean CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587834922 JJ Annotated Clean Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834966 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834968 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834971 JJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834974 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587834999 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587835000 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587835001 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587835002 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835120 JJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835121 JJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835122 JJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835123 JJ Annotated Clean Cc1cc(O)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cccc(O)c1C2=O ZINC000587835124 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cccc(O)c1C2=O ZINC000587835125 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cccc(O)c1C2=O ZINC000587835126 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cccc(O)c1C2=O ZINC000587835127 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)N1 ZINC000587835355 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](OCc2ccccc2)[C@@H]2COC(C)(C)O2)N1 ZINC000587835356 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](OCc2ccccc2)[C@@H]2COC(C)(C)O2)N1 ZINC000587835357 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)N1 ZINC000587835358 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587835551 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587835552 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587835553 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587835554 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835563 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835564 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835565 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835566 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587835575 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587835576 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587835577 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2ccccc2C(=O)O)N1 ZINC000587835578 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cccc(O)c1C2=O ZINC000587835753 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cccc(O)c1C2=O ZINC000587835754 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cccc(O)c1C2=O ZINC000587835755 JJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cccc(O)c1C2=O ZINC000587835756 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587836145 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587836148 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587836151 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1ccc(CC(=O)O)cc12 ZINC000587836154 JJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836237 JJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836238 JJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836239 JJ Annotated Clean Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836240 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587836510 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587836511 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587836512 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587836514 JJ Annotated Clean CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836869 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836870 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836871 JJ Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836872 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587836991 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587836992 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587836993 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587836994 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587837127 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587837129 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587837131 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587837133 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837203 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837204 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837205 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 ZINC000587837206 JJ Annotated Clean COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 ZINC000587837415 JJ Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 ZINC000587837416 JJ Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 ZINC000587837417 JJ Annotated Clean COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 ZINC000587837418 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837419 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837420 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837421 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587837422 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587837561 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587837562 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587837563 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587837564 JJ Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 ZINC000587837569 JJ Annotated Clean COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 ZINC000587837570 JJ Annotated Clean COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 ZINC000587837571 JJ Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 ZINC000587837572 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587838096 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587838097 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587838098 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587838099 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587838368 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587838373 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587838374 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587838376 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587838649 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587838650 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587838651 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587838652 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587838921 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587838924 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587838926 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587838931 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587839019 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587839020 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587839021 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587839022 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587839301 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587839303 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587839304 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587839306 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839413 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839417 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839419 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839420 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587839587 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587839590 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587839593 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587839595 JJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839755 JJ Annotated Clean COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839756 JJ Annotated Clean COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839758 JJ Annotated Clean COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839761 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587839762 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587839763 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587839787 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)N1 ZINC000587839788 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839816 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839818 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839819 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839821 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839948 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839951 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839953 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587839955 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587840004 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587840005 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587840006 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587840007 JJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840048 JJ Annotated Clean COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840049 JJ Annotated Clean COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840050 JJ Annotated Clean COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840051 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587840540 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587840541 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587840542 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 ZINC000587840543 JJ Annotated Clean Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840826 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840827 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840828 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840829 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840868 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840869 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840870 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587840871 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587840922 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587840923 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587840924 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587840925 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841102 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841103 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841104 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(S(N)(=O)=O)cc2)N1 ZINC000587841105 JJ Annotated Anodyne CC1=C(SCCO)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841373 JJ Annotated Mild CC1=C(SCCO)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841380 JJ Annotated Mild CC1=C(SCCO)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841381 JJ Annotated Mild CC1=C(SCCO)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587841382 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587841570 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587841571 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587841572 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)N1 ZINC000587841573 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SCC(=O)O ZINC000587841859 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SCC(=O)O ZINC000587841862 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SCC(=O)O ZINC000587841864 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SCC(=O)O ZINC000587841866 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587841875 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587841880 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587841883 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587841884 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841941 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841942 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841944 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841946 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587842346 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587842349 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587842351 JJ Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587842352 JJ Annotated Anodyne CC1=C(SCCO)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842359 JJ Annotated Mild CC1=C(SCCO)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842361 JJ Annotated Mild CC1=C(SCCO)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842364 JJ Annotated Mild CC1=C(SCCO)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842366 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587842640 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587842641 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587842642 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587842643 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587842870 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587842871 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587842872 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587842873 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842961 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842963 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842965 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842966 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587843242 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587843243 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587843244 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587843245 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587843410 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587843411 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587843412 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587843413 JJ Annotated Anodyne CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Nc2ccccc2)n1 ZINC000587843414 JJ Annotated Anodyne CSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Nc2ccccc2)n1 ZINC000587843415 JJ Annotated Anodyne CSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Nc2ccccc2)n1 ZINC000587843416 JJ Annotated Anodyne CSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Nc2ccccc2)n1 ZINC000587843417 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587843422 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587843423 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587843424 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587843425 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587843572 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587843575 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587843577 JJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587843579 JJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587843639 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587843641 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587843643 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)N1 ZINC000587843645 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nncn1C ZINC000587843758 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nncn1C ZINC000587843759 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nncn1C ZINC000587843760 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nncn1C ZINC000587843762 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587843794 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587843807 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587843809 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587843811 JJ Annotated Anodyne CC1=C(SCCO)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587843833 JJ Annotated Mild CC1=C(SCCO)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587843835 JJ Annotated Mild CC1=C(SCCO)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587843837 JJ Annotated Mild CC1=C(SCCO)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587843840 JJ Annotated Mild CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Nc2ccccc2)n1 ZINC000587843889 JJ Annotated Anodyne CSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Nc2ccccc2)n1 ZINC000587843892 JJ Annotated Anodyne CSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Nc2ccccc2)n1 ZINC000587843894 JJ Annotated Anodyne CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Nc2ccccc2)n1 ZINC000587843895 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@H](Br)CC(=O)O)N1 ZINC000587844541 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](Br)CC(=O)O)N1 ZINC000587844547 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](Br)CC(=O)O)N1 ZINC000587844549 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H](Br)CC(=O)O)N1 ZINC000587844551 JJ Annotated Reactive COC(=O)c1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587844657 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587844660 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587844662 JJ Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587844664 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587845164 JJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587845165 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587845166 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 ZINC000587845167 JJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587845484 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587845485 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587845486 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587845487 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587845516 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587845517 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587845518 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587845519 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587845612 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587845613 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587845614 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nccn2C)(c2ccc(O)cc2)N1 ZINC000587845615 JJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846012 JJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846013 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846014 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846015 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846192 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846193 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846195 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846196 JJ Annotated Anodyne CC1=C(SCCO)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587846296 JJ Annotated Mild CC1=C(SCCO)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587846297 JJ Annotated Mild CC1=C(SCCO)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587846298 JJ Annotated Mild CC1=C(SCCO)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587846299 JJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587846534 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587846546 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587846550 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587846554 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587846651 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587846652 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587846653 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S)nc3ccccc23)(c2nccn2C)N1 ZINC000587846655 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846840 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846841 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846842 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846843 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846860 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846861 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846862 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CCC(=O)c2cccs2)N1 ZINC000587846863 JJ Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846868 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846869 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846870 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846871 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587846992 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587846993 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587846996 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587846998 JJ Annotated Unstable CCOC(=O)[C@]1(c2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847247 JJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847249 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847251 JJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847253 JJ Annotated Anodyne CSc1cccc(N2C=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587847266 JJ Annotated Anodyne CSc1cccc(N2C=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587847268 JJ Annotated Anodyne CSc1cccc(N2C=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587847271 JJ Annotated Anodyne CSc1cccc(N2C=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(=O)O)=N2)c1 ZINC000587847273 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SCC(=O)O ZINC000587847452 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SCC(=O)O ZINC000587847455 JJ Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SCC(=O)O ZINC000587847457 JJ Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SCC(=O)O ZINC000587847459 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](Br)CC(=O)O)N1 ZINC000587847575 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@H](Br)CC(=O)O)N1 ZINC000587847577 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H](Br)CC(=O)O)N1 ZINC000587847578 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](Br)CC(=O)O)N1 ZINC000587847579 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587847689 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587847694 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587847696 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587847698 JJ Annotated Unstable CSc1ccc([C@]2(c3[nH]c(O)nc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847984 JJ Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847985 JJ Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847986 JJ Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847987 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848275 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848279 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848282 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848285 JJ Annotated Anodyne CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848437 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848439 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848440 JJ Annotated Reactive CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848442 JJ Annotated Reactive Cc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848662 JJ Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848663 JJ Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848664 JJ Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848665 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587848712 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587848713 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587848714 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)N1 ZINC000587848716 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587848748 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587848749 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587848750 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587848751 JJ Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848808 JJ Annotated Anodyne CSc1ccc([C@]2(c3[nH]c(O)nc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848809 JJ Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848811 JJ Annotated Anodyne CSc1ccc([C@@]2(c3[nH]c(O)nc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848813 JJ Annotated Anodyne COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587848962 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587848963 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587848964 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587848965 JJ Annotated Reactive CSc1cccc(N2C=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587849044 JJ Annotated Anodyne CSc1cccc(N2C=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587849045 JJ Annotated Anodyne CSc1cccc(N2C=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587849046 JJ Annotated Anodyne CSc1cccc(N2C=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(=O)O)=N2)c1 ZINC000587849047 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nncn1C ZINC000587849056 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nncn1C ZINC000587849057 JJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nncn1C ZINC000587849059 JJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nncn1C ZINC000587849061 JJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849093 JJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849094 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849096 JJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849098 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849222 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849223 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849225 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849227 JJ Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849229 JJ Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849230 JJ Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849232 JJ Annotated Anodyne Cc1ccc([C@]2(CCC(=O)CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587849233 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587849241 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587849244 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587849246 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587849248 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587849369 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587849371 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587849373 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)N1 ZINC000587849376 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587849430 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587849431 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587849432 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587849433 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849446 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849447 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849448 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849449 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849450 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849451 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849452 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849453 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849454 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849455 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849456 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587849457 JJ Annotated Unstable COC(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849814 JJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849815 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849816 JJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587849817 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849884 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849886 JJ Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849888 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849889 JJ Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849890 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)CCC(=O)O)(c2cccs2)N1 ZINC000587849891 JJ Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849892 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849894 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587849998 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587849999 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850000 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850001 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587850038 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587850039 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587850040 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Cl)N1 ZINC000587850041 JJ Annotated Unstable Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850226 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850227 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850228 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850229 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850230 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850231 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850232 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850233 JJ Annotated Anodyne CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850296 JJ Annotated Unstable CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850299 JJ Annotated Unstable CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850301 JJ Annotated Unstable CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850303 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850360 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850362 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850364 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587850366 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587850433 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587850435 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587850437 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N1 ZINC000587850439 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587850476 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587850477 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587850478 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587850479 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587850673 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587850676 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587850678 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)N1 ZINC000587850681 JJ Annotated Unstable Cc1nc(C(=O)O)c([C@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850718 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850720 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850722 JJ Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850724 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587850836 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587850837 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@@H]2Cl ZINC000587850838 JJ Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(S(=O)(=O)Cl)cc1CC[C@H]2Cl ZINC000587850839 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850878 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850879 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850880 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587850881 JJ Annotated Anodyne CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851060 JJ Annotated Unstable CC(C)[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851061 JJ Annotated Unstable CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851062 JJ Annotated Unstable CC(C)[C@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851063 JJ Annotated Unstable C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851256 JJ Annotated Mild C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851257 JJ Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851258 JJ Annotated Mild C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851259 JJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851359 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851360 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851361 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851362 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587851589 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587851592 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587851595 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587851598 JJ Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851718 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851719 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851720 JJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851721 JJ Annotated Reactive Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851734 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851735 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851736 JJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851737 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851861 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851863 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851865 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587851867 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852258 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852259 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852260 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852261 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852262 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852263 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852264 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852265 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852266 JJ Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852267 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852268 JJ Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CS(=O)(=O)Cl)C3(C)C)N1 ZINC000587852269 JJ Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nc(Cl)c(C=O)s3)CC2)N1 ZINC000587852712 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nc(Cl)c(C=O)s3)CC2)N1 ZINC000587852713 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587853205 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587853206 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587853207 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587853208 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587853210 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587853212 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587853218 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)N1 ZINC000587853219 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587853378 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587853379 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587853380 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587853381 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587853605 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587853610 JJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587853611 JJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587853612 JJ Annotated Reactive C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853853 JJ Annotated Mild C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853855 JJ Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853857 JJ Annotated Mild C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853860 JJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854026 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854027 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854028 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854029 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587854042 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587854043 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587854044 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587854045 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854090 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854092 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854094 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854098 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2c1c(Br)nn2C ZINC000587854149 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854154 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854158 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854159 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854160 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587854444 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000587854692 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Br)c(C)nn1C ZINC000587854765 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854869 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854873 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854878 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2c(N)sc3c2CCC3)N1 ZINC000587854881 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854885 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854888 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854894 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnc(N)s2)(c2ccccc2Cl)N1 ZINC000587854897 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587855019 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587855037 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587855040 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587855044 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000587855122 JJ Annotated Anodyne C=C1C=C(n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)N2NC(C(F)(F)F)=NC2=N1 ZINC000587855133 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCSCC1 ZINC000587855225 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCSCC1 ZINC000587855226 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCSCC1 ZINC000587855227 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCSCC1 ZINC000587855228 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587855415 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587855417 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587855419 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Br)c3c2OCCO3)N1 ZINC000587855421 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nc(Cl)c(C=O)s3)CC2)N1 ZINC000587855515 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nc(Cl)c(C=O)s3)CC2)N1 ZINC000587855517 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(CC)cc1Br ZINC000587855537 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587855742 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587855743 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587855745 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587855746 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587855752 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587855754 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587855756 JJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587855758 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000587855783 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2c1CCC2 ZINC000587855861 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2c1CCC2 ZINC000587855869 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2c1CCC2 ZINC000587855871 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2c1CCC2 ZINC000587855873 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587855960 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587855966 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587855968 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587855971 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587856404 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587856405 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587856406 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2cccc(Cl)c2)N1 ZINC000587856408 JJ Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856445 JJ Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856450 JJ Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856453 JJ Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856456 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000587856486 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2c1CCC2 ZINC000587856531 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2c1CCC2 ZINC000587856532 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2c1CCC2 ZINC000587856534 JJ Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2c1CCC2 ZINC000587856536 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Br)c(C)n1 ZINC000587856615 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCSCC1 ZINC000587856900 JJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCSCC1 ZINC000587856903 JJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCSCC1 ZINC000587856905 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCSCC1 ZINC000587856907 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587857219 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587857221 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587857222 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(N1CCOCC1)=CSc1ccccc12 ZINC000587857223 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587857322 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587857323 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587857325 JJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587857326 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587857448 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587857452 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587857454 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Cc3nc(N)sc32)N1 ZINC000587857456 JJ Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857617 JJ Annotated Anodyne Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857618 JJ Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857620 JJ Annotated Anodyne Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857621 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c3nsnc23)N1 ZINC000587857695 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c3nsnc23)N1 ZINC000587857697 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c3nsnc23)N1 ZINC000587857699 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c3nsnc23)N1 ZINC000587857701 JJ Annotated Anodyne CC(=O)N1CCc2sc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C1 ZINC000587857712 JJ Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C1 ZINC000587857713 JJ Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C1 ZINC000587857714 JJ Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C1 ZINC000587857715 JJ Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1ncc(Br)c1C ZINC000587858091 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587858440 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587858441 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587858442 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587858443 JJ Annotated Anodyne Cc1cc(C)cc([C@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587858468 JJ Annotated Anodyne Cc1cc(C)cc([C@@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587858469 JJ Annotated Anodyne Cc1cc(C)cc([C@@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587858470 JJ Annotated Anodyne Cc1cc(C)cc([C@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587858471 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587858552 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c3nsnc23)N1 ZINC000587858578 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c3nsnc23)N1 ZINC000587858579 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c3nsnc23)N1 ZINC000587858580 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c3nsnc23)N1 ZINC000587858581 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858633 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858635 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858638 JJ Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858639 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587858677 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587858679 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587858680 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587858681 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000587858705 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858816 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858817 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858818 JJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858819 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(I)n1 ZINC000587858914 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000587858915 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587859069 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587859070 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587859071 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587859072 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587859118 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587859119 JJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587859120 JJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CS3)N1 ZINC000587859122 JJ Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(CC)c(=O)c2ccccc12 ZINC000587859195 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(I)c[nH]1 ZINC000587859271 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000587859284 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587859353 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587859365 JJ Annotated Bother CC(=O)N1CCc2sc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C1 ZINC000587859461 JJ Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C1 ZINC000587859462 JJ Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C1 ZINC000587859463 JJ Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C1 ZINC000587859464 JJ Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000587859491 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000587859492 JJ Annotated Anodyne Cc1cc(C)cc([C@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587859597 JJ Annotated Anodyne Cc1cc(C)cc([C@@]2(/C=C3\NC(=O)CS3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587859599 JJ Annotated Anodyne Cc1cc(C)cc([C@@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587859600 JJ Annotated Anodyne Cc1cc(C)cc([C@]2(/C=C3\NC(=O)CS3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587859601 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000587859634 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587859658 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000587859673 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000587859721 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587859792 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587859812 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000587859850 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000587859852 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000587859858 JJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587859899 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587859900 JJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587859901 JJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3nc(Cl)nc(N4CCOCC4)c3s2)N1 ZINC000587859902 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859903 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859904 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859905 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2c(N)sc3c2CCC3)N1 ZINC000587859906 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587859999 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587860001 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2nc(CCOC)no2)cn1 ZINC000587860004 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(Cc2ccccc2)c1N ZINC000587860034 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587860068 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587860069 JJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587860071 JJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2c(N)sc3c2CCC3)N1 ZINC000587860072 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587860076 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587860077 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)Nc2ccccn2)cn1 ZINC000587860112 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587860203 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587860206 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CC ZINC000587860214 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1CCCOC ZINC000587860266 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000587860317 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000587860319 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC000587860378 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000587860388 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000587860424 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CCOC ZINC000587860470 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000587860515 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000587860521 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000587860579 JJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587860584 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000587860631 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000587860632 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccccc2F)n1 ZINC000587860641 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000587860643 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(N)sc1-c1ccc(F)cc1 ZINC000587860696 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(F)cc2)n1 ZINC000587860703 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000587860718 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(Br)cc(C)c2n1 ZINC000587860758 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1cc(Br)cn1 ZINC000587860779 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000587860780 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587860848 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587860873 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000587860874 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000587860875 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2 ZINC000587860876 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Cl ZINC000587860881 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(C(F)(F)F)ccc2n1 ZINC000587860887 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2c(C)c(Br)ccc2n1 ZINC000587860964 JJ Annotated Anodyne COc1ccc(Br)c(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1N ZINC000587860973 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(Br)c(C)cc2n1 ZINC000587860991 JJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587860996 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 ZINC000587861013 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000587861085 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC000587861095 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587861110 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587861129 JJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1ncc(Br)c1C ZINC000587861173 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C)c(Br)c1C ZINC000587861175 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(Br)c(C(F)(F)F)nn1C ZINC000587861279 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000587861335 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc(Br)c(C)n1 ZINC000587861401 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc(Br)c(C)n1 ZINC000587861402 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc(Br)c(C)n1 ZINC000587861482 JJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc(Br)cn1 ZINC000587861513 JJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc(Br)cn1 ZINC000587861514 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F ZINC000587861615 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)(F)F ZINC000587861616 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F ZINC000587861617 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn2c1N[C@@H](C)C[C@@H]2C(F)(F)F ZINC000587861620 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000587861675 JJ Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(N)sc1-c1cccc(F)c1 ZINC000587861720 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(Br)ccc2n1 ZINC000587862025 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]nc(Br)c1Br ZINC000587862035 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(I)c1 ZINC000587862224 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)nc(C)c1I ZINC000587862333 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000587862573 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccccc2C)n1 ZINC000587862579 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(I)cc1 ZINC000587862618 JJ Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862621 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1I ZINC000587862727 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000587862739 JJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000587862938 JJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000587862944 JJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CSc2nncn2C)cc1 ZINC000587863064 JJ Annotated Anodyne COc1ccc(CCNC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC ZINC000587863092 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C(C)C)c(=O)c2ccccc12 ZINC000587863104 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000587863146 JJ Annotated Anodyne COc1ccc(OCn2ccc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1 ZINC000587863242 JJ Annotated Anodyne CCOCCCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2ccccc2c1=O ZINC000587863250 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587863336 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 ZINC000587863359 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 ZINC000587863360 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 ZINC000587863365 JJ Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c2ccccc2c1=O ZINC000587863424 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c([N+](=O)[O-])c1 ZINC000587863452 JJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000587863499 JJ Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)sc(C)c1C ZINC000587863602 JJ Annotated Anodyne COc1cc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc(OC)c1OC ZINC000587863694 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1ncc(Br)c1C ZINC000587863840 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587863867 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587863868 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCCCCC(=O)NN ZINC000587863890 JJ Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1Br ZINC000587863928 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(Br)cn2ccnc12 ZINC000587864091 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1=C(C)N[C@@H]2C=CC(Cl)=CN12 ZINC000587864111 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1=C(C)N[C@H]2C=CC(Cl)=CN12 ZINC000587864112 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)nc(C)c1I ZINC000587864147 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc(Br)cn1 ZINC000587864289 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc(Br)cn1 ZINC000587864290 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)cc1Br ZINC000587864293 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000587864350 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000587864351 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 ZINC000587864352 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000587864390 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(I)c[nH]1 ZINC000587864550 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(Br)c(C)n1 ZINC000587864645 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1cc(Br)cn1 ZINC000587864659 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000587864660 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000587864743 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-n2cncn2)cc1Cl ZINC000587864926 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C=C1/NC(=O)c2c(sc(C)c2C)N1 ZINC000587864942 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C=C1\NC(=O)c2c(sc(C)c2C)N1 ZINC000587864943 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1ncc(Br)c1C ZINC000587864962 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C)c(Br)c1C ZINC000587864965 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc(Br)c(C)n1 ZINC000587864971 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000587865054 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(I)n1 ZINC000587865071 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587865090 JJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000587865170 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000587865185 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 ZINC000587865377 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000587865496 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000587865521 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000587865557 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000587865560 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cn(CC)nc2C)on1 ZINC000587865606 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000587865717 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587865742 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587865743 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587865828 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O ZINC000587865829 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(OC)cc2)n1 ZINC000587865893 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2nc(CCOC)no2)cn1 ZINC000587865909 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000587865961 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)NC1=CCCN1C2=O ZINC000587866045 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@](C)(Cc1ccc(O)c(OC)c1)C(=O)O ZINC000587866181 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@](C)(Cc1ccc(O)c(OC)c1)C(=O)O ZINC000587866182 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587866198 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587866200 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)c(Br)o1 ZINC000587866317 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000587866350 JJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000587866373 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587866392 JJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587866393 JJ Annotated Bother COc1cc(NC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)cc1Cl ZINC000587866430 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1cccc(Cl)c1C ZINC000587866453 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000587866459 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000587866460 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000587866468 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587866505 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587866506 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000587866543 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)cc1Br ZINC000587866554 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C(C)C)c(=O)c2ccccc12 ZINC000587866602 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000587866657 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000587866658 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Br)cc1C ZINC000587866692 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587866774 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000587866841 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)/C=C1\NC(=O)c2c(sc(C)c2C)N1 ZINC000587866878 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)/C=C1/NC(=O)c2c(sc(C)c2C)N1 ZINC000587866880 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2c(=O)n1CCCOC ZINC000587866886 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 ZINC000587866982 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Br)c(C)c1 ZINC000587867052 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000587867120 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 ZINC000587867154 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 ZINC000587867155 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000587867173 JJ Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c2ccccc2c1=O ZINC000587867178 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000587867194 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000587867196 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cc(C)ccc2Cl)n1 ZINC000587867213 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000587867245 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]c2ccccc2c1Br ZINC000587867274 JJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CC ZINC000587867297 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000587867341 JJ Annotated Anodyne COc1ccc(Br)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1C ZINC000587867346 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1nc(C)c(Br)c1C ZINC000587867391 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1nc(C)c(Br)c1C ZINC000587867396 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)c2cccnc12 ZINC000587867421 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)c(Cl)o1 ZINC000587867443 JJ Annotated Anodyne COc1cc(OC)c(NC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1Cl ZINC000587867445 JJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc(C)c(Br)c1C ZINC000587867457 JJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc(C)c(Br)c1C ZINC000587867458 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)nc2onc(C)c12 ZINC000587867502 JJ Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc(OCC)c1OCC ZINC000587867507 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1nc(-c2ccccc2C)no1 ZINC000587867581 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000587867605 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000587867611 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCNC(=O)OC(C)(C)C ZINC000587867680 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000587867769 JJ Annotated Bother COc1cc(OC)cc(C(C)(C)OC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587867782 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000587867809 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 ZINC000587867833 JJ Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 ZINC000587867938 JJ Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 ZINC000587867939 JJ Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000587867987 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Br)cc1F ZINC000587868015 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587868019 JJ Annotated Anodyne CCn1ncc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c1C ZINC000587868035 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000587868036 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587868069 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000587868071 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587868084 JJ Annotated Anodyne COc1ccc2cc(OCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)ccc2c1 ZINC000587868102 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCCCCCCC(=O)NN ZINC000587868129 JJ Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587868156 JJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000587868240 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000587868299 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587868313 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587868357 JJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000587868359 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(OC(F)(F)C(F)F)c1 ZINC000587868405 JJ Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1ccccc1Cl ZINC000587868411 JJ Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc1-2 ZINC000587868478 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587868486 JJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000587868510 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000587868524 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000587868525 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(F)c(Cl)c2)n1 ZINC000587868601 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnn1COc1ccc(Cl)cc1 ZINC000587868613 JJ Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868665 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000587868668 JJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000587868679 JJ Annotated Anodyne COc1cccc(OCc2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)o2)c1 ZINC000587868719 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000587868786 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000587868827 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000587868832 JJ Annotated Anodyne CCn1ncc(-c2cc(C(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c1C ZINC000587868859 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cn1 ZINC000587868867 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cc(C)ccc2C)n1 ZINC000587868872 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000587868887 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2C)n1 ZINC000587868907 JJ Annotated Anodyne COc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)o1 ZINC000587868921 JJ Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c(=O)oc2c1 ZINC000587868980 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000587868997 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cccc(Cl)c2)n1 ZINC000587869005 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(OC(F)(F)F)cc1 ZINC000587869018 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C ZINC000587869023 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ncc(C(F)(F)F)cc1Cl ZINC000587869056 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnn1COc1ccccc1Cl ZINC000587869063 JJ Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)c(C)n1 ZINC000587869064 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCCN(CC2CCCCC2)C1 ZINC000587869075 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCCN(CC2CCCCC2)C1 ZINC000587869076 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000587869135 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000587869159 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000587869165 JJ Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2cccc(F)c2)cc1OCC ZINC000587869206 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)c(Br)o1 ZINC000587869226 JJ Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1OC ZINC000587869249 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 ZINC000587869291 JJ Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2ccccc2c1=O ZINC000587869316 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(N)sc1-c1ccc(Cl)cc1 ZINC000587869335 JJ Annotated Anodyne COc1ccc(-c2cc(N)c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)s2)cc1 ZINC000587869370 JJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1-c1ccccc1 ZINC000587869391 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000587869444 JJ Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc21 ZINC000587869613 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2cc(Br)cn2)c1 ZINC000587869619 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cc(C)ccc2Cl)n1 ZINC000587869646 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587869696 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587869697 JJ Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cnc2s1 ZINC000587869723 JJ Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cnc2s1 ZINC000587869724 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 ZINC000587869838 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000587869841 JJ Annotated Anodyne C=C1C=C(n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n2ncc(-c3ccccc3)c2N1 ZINC000587869892 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(Br)c1 ZINC000587869967 JJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C ZINC000587870045 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000587870112 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000587870481 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc2nc(-c3ccc(Cl)cc3)cc(C)n2n1 ZINC000587870491 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587870629 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587870630 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587870631 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587870632 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587870693 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000587870721 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000587870730 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C ZINC000587870798 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000587870878 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2C)n1 ZINC000587870926 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000587871129 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(F)c(Cl)c2)n1 ZINC000587871440 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587871577 JJ Annotated Bother CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4cccc(F)c4)cc3OCC)cnc2s1 ZINC000587871769 JJ Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4cccc(F)c4)cc3OCC)cnc2s1 ZINC000587871776 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000587871909 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000587871934 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587871973 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587872008 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000587872361 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000587872379 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000587872408 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000587872425 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000587872710 JJ Annotated Bother O=C(c1ccn(COc2ccc(Br)cc2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872823 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(Nc2cccc(OC)c2)s1 ZINC000587872867 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC ZINC000587873052 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000587873100 JJ Annotated Anodyne O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873140 JJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 ZINC000587873194 JJ Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587873200 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nccc(-c2ccc(OC)cc2)n1 ZINC000587873250 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000587873267 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccccc2)n1CC ZINC000587873346 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1 ZINC000587873381 JJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000587873385 JJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2N1 ZINC000587873650 JJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2N1 ZINC000587873651 JJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2N1 ZINC000587873652 JJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2N1 ZINC000587873653 JJ Annotated Anodyne O=C(C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874356 JJ Annotated Anodyne O=C(C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874357 JJ Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc([N+](=O)[O-])cc1Br ZINC000587874538 JJ Annotated Mild C[C@@H](CBr)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874539 JJ Annotated Reactive C[C@H](CBr)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874540 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([N+](=O)[O-])c1CBr ZINC000587874614 JJ Annotated Reactive COC(=O)c1cccc(CBr)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874625 JJ Annotated Reactive Cc1cc(C)c(C(=O)CBr)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874638 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc([N+](=O)[O-])ccc1CBr ZINC000587874657 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(Br)cc1[N+](=O)[O-] ZINC000587874675 JJ Annotated Mild COC(=O)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 ZINC000587874833 JJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000587874835 JJ Annotated Bother CCOC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1CBr ZINC000587874847 JJ Annotated Reactive COC(=O)c1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CBr ZINC000587874848 JJ Annotated Reactive C[C@@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587874869 JJ Annotated Reactive C[C@H](Br)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587874870 JJ Annotated Reactive COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)cc1OC ZINC000587874902 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(Br)cccc1[N+](=O)[O-] ZINC000587874985 JJ Annotated Mild COC(=O)c1ccc(CBr)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875048 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)cc([N+](=O)[O-])c1 ZINC000587875105 JJ Annotated Mild Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587875112 JJ Annotated Bother O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc([N+](=O)[O-])c1CBr ZINC000587875214 JJ Annotated Reactive COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587875217 JJ Annotated Bother CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccc(OC)cc1 ZINC000587875232 JJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587875262 JJ Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587875320 JJ Annotated Bother O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000587875324 JJ Annotated Mild CCOC(=O)c1c(Br)cccc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875336 JJ Annotated Mild C[C@@H](CBr)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587875339 JJ Annotated Reactive C[C@H](CBr)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587875340 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc([N+](=O)[O-])cc1CBr ZINC000587875352 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c([N+](=O)[O-])c1 ZINC000587875495 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)cc([N+](=O)[O-])c1 ZINC000587875636 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cc1[N+](=O)[O-] ZINC000587875671 JJ Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc1 ZINC000587875790 JJ Annotated Anodyne Cn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccc(Br)cc1 ZINC000587875822 JJ Annotated Anodyne O=S(=O)(c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000587875875 JJ Annotated Anodyne CCOC(=O)c1nc(-c2ccccc2)oc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876255 JJ Annotated Mild Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc1 ZINC000587876265 JJ Annotated Anodyne N#Cc1c(N)c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl ZINC000587876305 JJ Annotated Mild CCCn1nc(C)c2c(C(=O)n3nc4cc3oc3ccc(F)cc43)cc(-c3cnn(C)c3C)nc21 ZINC000587876391 JJ Annotated Anodyne N#Cc1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1Cl ZINC000587876456 JJ Annotated Mild COc1cccc(-c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c3c(C)nn(C)c3n2)c1 ZINC000587876689 JJ Annotated Anodyne COc1c([N+](=O)[O-])cc(Br)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876732 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2ccc(Br)nc2n1 ZINC000587876818 JJ Annotated Mild COc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1Br ZINC000587876939 JJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)c([N+](=O)[O-])c2)cc1 ZINC000587876943 JJ Annotated Bother COc1cc(Br)c(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587876986 JJ Annotated Mild O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587877026 JJ Annotated Bother COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c(Br)c1N ZINC000587877117 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc2c(cc1CBr)OCO2 ZINC000587877149 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CO)cc(Br)c1Cl ZINC000587877259 JJ Annotated Mild COc1ccc(Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC000587877316 JJ Annotated Mild Cc1cc(Br)c([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877334 JJ Annotated Mild CC(=O)OCc1c(Br)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877335 JJ Annotated Mild CC(=O)Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000587877356 JJ Annotated Mild CN(Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O)C(=O)OC(C)(C)C ZINC000587877397 JJ Annotated Mild COC(=O)c1cc(Br)c(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877424 JJ Annotated Mild CCOc1cc(OCC)c(/C=C/C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877568 JJ Annotated Mild CCOc1cc(OCC)c(/C=C\C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877569 JJ Annotated Mild Cc1cc(Br)cc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877616 JJ Annotated Mild CCCCNc1cc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877623 JJ Annotated Mild CC(C)CCOc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877642 JJ Annotated Mild CCc1c(Br)cc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877668 JJ Annotated Mild CCOC(=O)c1cc(Br)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877678 JJ Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1C=O ZINC000587877746 JJ Annotated Mild CCOc1cc(NC(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877765 JJ Annotated Mild COc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877786 JJ Annotated Mild COC(=O)c1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587877794 JJ Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587877795 JJ Annotated Mild Cc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877815 JJ Annotated Mild Cc1cc(Br)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877825 JJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(C)C)cc1[N+](=O)[O-] ZINC000587877852 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNc2ccc(C(=O)O)cc2)c1O ZINC000587877944 JJ Annotated Mild CCCNc1cc(OCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877996 JJ Annotated Mild CNc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)cc1OC ZINC000587878078 JJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1Br ZINC000587878144 JJ Annotated Mild CNc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587878176 JJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)cc1[N+](=O)[O-] ZINC000587878226 JJ Annotated Mild CCCCCOc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878294 JJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1Br ZINC000587878366 JJ Annotated Mild COc1cc(C(=O)N(C(C)C)C(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878604 JJ Annotated Mild CC(C)N(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000587878619 JJ Annotated Mild Cc1cc(C(=O)NCc2ccco2)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878718 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1O[C@H](C(=O)O)c1ccccc1 ZINC000587878885 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587878889 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Oc1ccc(C(=O)O)cn1 ZINC000587878986 JJ Annotated Mild COC(=O)c1ccc(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587879030 JJ Annotated Mild CC(C)(CCl)C(=O)Oc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879055 JJ Annotated Reactive N#C[C@H](c1ccc(Cl)nn1)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879282 JJ Annotated Mild N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879285 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000587879296 JJ Annotated Mild CC(C)(C)OC(=O)N1CCc2c1ccc(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)c2O ZINC000587879327 JJ Annotated Mild CC(=O)Oc1cn(C(C)=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c12 ZINC000587879393 JJ Annotated Mild O=Cc1cn(-c2ccncc2)nc1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879445 JJ Annotated Mild N#Cc1ccccc1COc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879743 JJ Annotated Mild CCCCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC ZINC000587880066 JJ Annotated Mild CCN(CC)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587880113 JJ Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)NC(C)(C)C ZINC000587880191 JJ Annotated Mild O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587880199 JJ Annotated Mild CC(C)(C)OC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880419 JJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(N)c1NC(=O)OC(C)(C)C ZINC000587880553 JJ Annotated Mild CC(=O)Nc1cccc(Nc2ncccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880569 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)C2CCCCC2)c(C(=O)O)c1 ZINC000587880870 JJ Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880905 JJ Annotated Mild CCOC(=O)c1cnc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl ZINC000587880950 JJ Annotated Mild CCCCNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl ZINC000587880976 JJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 ZINC000587881123 JJ Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCn1cccc1 ZINC000587881244 JJ Annotated Mild CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)c1ccccc1 ZINC000587881365 JJ Annotated Mild CC(C)(C)OC(=O)c1nc(Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881512 JJ Annotated Mild COc1ccc(CN=O)cc1Cn1nc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587881639 JJ Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccn2)nc1Cl ZINC000587881715 JJ Annotated Mild O=Cc1c(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)nc2ccccn12 ZINC000587881789 JJ Annotated Mild CCOC(=O)c1[nH]c(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)nc1C ZINC000587881940 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000587882037 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Oc2ccc(C(=O)O)cn2)c1 ZINC000587882175 JJ Annotated Mild CC(C)(CCl)C(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882219 JJ Annotated Reactive Cc1cc(C(=O)O)c(C)n1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882348 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(O[C@H](C(=O)O)c2ccccc2)c1 ZINC000587882415 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(O[C@@H](C(=O)O)c2ccccc2)c1 ZINC000587882416 JJ Annotated Mild Cc1cc(C(=O)Nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)ccc1N ZINC000587882481 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C[C@H](C[C@H]2CCCO2)C(=O)O)c1 ZINC000587882534 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C[C@H](C[C@@H]2CCCO2)C(=O)O)c1 ZINC000587882535 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C[C@@H](C[C@H]2CCCO2)C(=O)O)c1 ZINC000587882536 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C[C@@H](C[C@@H]2CCCO2)C(=O)O)c1 ZINC000587882537 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(O)cc(-c2ccc(C(=O)O)cc2)c1 ZINC000587882549 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CCN2C(=O)c3ccccc3C2=O)c1 ZINC000587882637 JJ Annotated Mild COc1ccc(C(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587882944 JJ Annotated Mild Cc1ccc(C(=O)Nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)cc1N ZINC000587882965 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000587883087 JJ Annotated Mild CC(C)(C)OC(=O)NCCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883156 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)NC=C(Cl)Cl)c1 ZINC000587883182 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COC(=O)c2ccccc2O)cc1 ZINC000587883223 JJ Annotated Mild Cc1nc(CCC(=O)O)oc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883310 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C(=C/c1ccc(Br)cc1)[N+](=O)[O-] ZINC000587883433 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cc(O)nc(CCl)n2)cc1 ZINC000587883435 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)cc1 ZINC000587883475 JJ Annotated Mild CCc1onc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C(=O)O ZINC000587883606 JJ Annotated Mild CCOC(=O)c1ncoc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883668 JJ Annotated Mild COC(=O)c1cccn2cc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587883669 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COc2ccc(CO)cc2)cc1 ZINC000587883695 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C(\Br)[N+](=O)[O-])cc1 ZINC000587883705 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C(/Br)[N+](=O)[O-])cc1 ZINC000587883706 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cn3cccc(C(=O)O)c3n2)cc1 ZINC000587883796 JJ Annotated Mild CCOC(=O)c1coc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587883811 JJ Annotated Mild COc1cc(N)cc(OC)c1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883833 JJ Annotated Mild CC1=C(C#N)CCC(=O)N1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884101 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000587884183 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C3CC3)cc(C(=O)O)c2c1 ZINC000587884215 JJ Annotated Mild CC(C)(C)OC(=O)n1cc(CO)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884225 JJ Annotated Mild CC(C)(C)OC(=O)N1Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587884338 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000587884360 JJ Annotated Mild CC(C)(C)OC(=O)N1CCNc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587884371 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000587884421 JJ Annotated Mild Nc1c(-c2ccccc2)nnn1Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884453 JJ Annotated Mild CC(=O)Oc1cn(C(C)=O)c2cc(Cl)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884474 JJ Annotated Mild CCOC(=O)/C(C#N)=C(\C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884478 JJ Annotated Reactive COC(=O)c1cc(Cl)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587884481 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(NOC1CCC1)=CCCO2 ZINC000587884482 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(=O)c(Br)coc2c1 ZINC000587884514 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1coc2cc(Br)ccc2c1=O ZINC000587884519 JJ Annotated Mild CCOC(=O)/C(C#N)=C(/C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884528 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CC(=O)c2ccc(O)cc2O)cc1 ZINC000587884571 JJ Annotated Mild CC(C)(C)OC(=O)n1ncc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884734 JJ Annotated Mild CC(C)(C)OC(=O)N1CCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884884 JJ Annotated Mild COc1ccc([C@H](N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884951 JJ Annotated Mild COc1ccc([C@@H](N)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587884952 JJ Annotated Mild CC(C)(C)OC(=O)N1CCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587884990 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000587885023 JJ Annotated Mild CCN[C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1cccnc1 ZINC000587885064 JJ Annotated Mild CCN[C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1cccnc1 ZINC000587885070 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 ZINC000587885089 JJ Annotated Mild CC[C@H](NC(=O)CCl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885102 JJ Annotated Reactive CC[C@@H](NC(=O)CCl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885103 JJ Annotated Reactive CC(C)(C)OC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2C1 ZINC000587885166 JJ Annotated Mild CC(=O)N[C@H](c1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885307 JJ Annotated Mild CC(=O)N[C@@H](c1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885310 JJ Annotated Mild CC(C)(C)OC(=O)NCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885327 JJ Annotated Mild COc1ccc([C@H](O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885328 JJ Annotated Mild COc1ccc([C@@H](O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885331 JJ Annotated Mild CC(C)(C)OC(=O)CC[C@@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885353 JJ Annotated Mild CC(C)(C)OC(=O)CC[C@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885354 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2[nH]cc(C(=O)O)c2cc1Br ZINC000587885403 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(C(=O)O)c[nH]c2cc1Br ZINC000587885475 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC[C@H](O)c2ccccc2)cc1 ZINC000587885720 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC[C@@H](O)c2ccccc2)cc1 ZINC000587885721 JJ Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1NCc1ccccc1 ZINC000587885890 JJ Annotated Mild Cc1cc(C(=O)O)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885913 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nc(Cl)[nH]c2cc1Br ZINC000587886015 JJ Annotated Mild CC(C)(O)C(=O)Nc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886021 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1 ZINC000587886028 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 ZINC000587886029 JJ Annotated Mild Cc1ccc(-n2c(N)nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)cc1 ZINC000587886100 JJ Annotated Mild CC(C)OC(=O)N[C@@H]1Cc2[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3c2C1 ZINC000587886132 JJ Annotated Mild COC(=O)c1cc(O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c(C)c2n1 ZINC000587886133 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCC(=O)c2ccccc2)cc1 ZINC000587886154 JJ Annotated Mild COC(=O)c1ccc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587886222 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000587886255 JJ Annotated Mild COC(=O)c1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587886372 JJ Annotated Mild CC(C)c1nn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1C=O ZINC000587886377 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ncccc2C(=O)O)cc1 ZINC000587886392 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(C(=O)O)cn2)cc1 ZINC000587886408 JJ Annotated Mild CC(C)(C)OC(=O)n1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587886449 JJ Annotated Mild CC(C)(C)OC(=O)n1ncc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886529 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3c(c2c1)CC(=O)Nc1cccnc1-3 ZINC000587886586 JJ Annotated Mild Cc1c(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c(O)cc(C(=O)O)nc12 ZINC000587886618 JJ Annotated Mild CCCOc1cc2oc(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886863 JJ Annotated Mild Nc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1Cc1ccccc1 ZINC000587886931 JJ Annotated Mild C=CCOc1cc2oc(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886940 JJ Annotated Mild CN(C)[C@H]1CCc2[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3c2C1 ZINC000587886952 JJ Annotated Mild CN(C)[C@@H]1CCc2[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3c2C1 ZINC000587886953 JJ Annotated Mild COc1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887222 JJ Annotated Mild CCN(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887268 JJ Annotated Mild CCOc1ccc(-c2cc(OCC)ncc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887276 JJ Annotated Mild COc1cc(C)ccc1Oc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887515 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000587887544 JJ Annotated Mild CC(C)(C)OC(=O)n1ccc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587887775 JJ Annotated Mild CC(C)(C)OC(=O)NCc1cc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2o1 ZINC000587887804 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c2c(c3c1OCC3)C(=O)CC2 ZINC000587887813 JJ Annotated Mild CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1C(=O)c1ccccc1C2=O ZINC000587887856 JJ Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(Cl)ncnc21 ZINC000587887882 JJ Annotated Mild CC(C)(C)OC(=O)N1CCc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2C1 ZINC000587887904 JJ Annotated Mild CC(C)(C)OC(=O)n1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587887955 JJ Annotated Mild Cc1cccc(CN(C)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c[nH]2)c1 ZINC000587887958 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(Br)cc([N+](=O)[O-])cc2c1 ZINC000587888014 JJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)ncn2C1CCCC1 ZINC000587888018 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(-c2nnc(-c3ccccc3)o2)c1 ZINC000587888028 JJ Annotated Mild N#Cc1cccc(-c2nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cnc3[nH]2)c1 ZINC000587888058 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)[nH]c2ccc(Br)cc12 ZINC000587888111 JJ Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccc(CO)cc21 ZINC000587888173 JJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C3(C)OCCO3)oc12 ZINC000587888177 JJ Annotated Mild O=Cc1c[nH]c2c(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587888293 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c(C(=O)O)c(Br)c2c1 ZINC000587888411 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(CCC(=O)OCc2ccccc2)c1 ZINC000587888528 JJ Annotated Mild CCCn1c(C)nc2cc(C(=O)OC)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888621 JJ Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)nc(C)n2CC ZINC000587888652 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cn2c(Cl)cncc12 ZINC000587888726 JJ Annotated Mild CC(C)(C)C(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587888870 JJ Annotated Mild CC(C)(C)C(=O)Nc1cc(Br)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888934 JJ Annotated Mild O=Cc1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Br)cc12 ZINC000587888981 JJ Annotated Mild CC(C)(C)OC(=O)N1Cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1 ZINC000587889000 JJ Annotated Mild CC(C)(C)OC(=O)n1cc(CO)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc21 ZINC000587889002 JJ Annotated Mild CC1(C)C(=O)Nc2c(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587889016 JJ Annotated Mild CC1(C)C(=O)Nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Br)cc21 ZINC000587889051 JJ Annotated Mild COC(=O)c1cc(Cl)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587889067 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC000587889119 JJ Annotated Mild Cc1ccccc1CN(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000587889169 JJ Annotated Mild COc1ccc(COc2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587889234 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc2cc(Br)cnc12 ZINC000587889264 JJ Annotated Mild COc1c(C(=O)O)c(OC)c2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889278 JJ Annotated Mild CC(C)(C)OC(=O)N1CCc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc(N)c2C1 ZINC000587889280 JJ Annotated Mild CC(C)(C)OC(=O)N1CCc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1 ZINC000587889407 JJ Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)nnn2C1CCCCC1 ZINC000587889539 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(-c2ccc(Br)nc2)ccn1 ZINC000587889674 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccnc(Br)c2)cn1 ZINC000587889726 JJ Annotated Mild CC(C)n1c(C(=O)O)cc(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890000 JJ Annotated Mild CC(C)n1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587890313 JJ Annotated Mild Cc1ccc(C(=O)O)cc1NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890546 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1oc2ccc(Br)cc2c1O ZINC000587890683 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)[C@H](c2ccccc2)OC1=O ZINC000587890785 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)[C@@H](c2ccccc2)OC1=O ZINC000587890790 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(Br)c(O)c2c1 ZINC000587890818 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1oc2cc(Br)ccc2c1O ZINC000587890868 JJ Annotated Mild CC(=O)c1ccc(NC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)cc1 ZINC000587890966 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)C(=O)O[C@H]1c1ccccc1 ZINC000587890981 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)C(=O)O[C@@H]1c1ccccc1 ZINC000587890982 JJ Annotated Mild C=C1N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(C)=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891103 JJ Annotated Mild C=C1N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(C)=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891104 JJ Annotated Mild CCOC(=O)C(F)(F)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C ZINC000587891148 JJ Annotated Mild CC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891379 JJ Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1OC(F)(F)F ZINC000587891402 JJ Annotated Mild Nc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891404 JJ Annotated Mild O=C(O)/C=C/c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891462 JJ Annotated Mild O=C(O)/C=C\c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891463 JJ Annotated Mild O=C(O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891506 JJ Annotated Mild O=C(O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891507 JJ Annotated Mild Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891553 JJ Annotated Mild COC(=O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891635 JJ Annotated Mild COC(=O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891636 JJ Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891638 JJ Annotated Mild Cc1c(Br)cc([N+](=O)[O-])c(F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891691 JJ Annotated Mild CCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891715 JJ Annotated Mild COC(=O)/C=C\c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891718 JJ Annotated Mild COC(=O)/C=C/c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1OC(F)(F)F ZINC000587891719 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(F)(F)F)cc(O)c2c1 ZINC000587891732 JJ Annotated Mild Nc1c(Br)cc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891741 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)C(=O)O)ccc1OC(F)(F)F ZINC000587891770 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1 ZINC000587891814 JJ Annotated Unstable CC(=O)Nc1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891829 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1O ZINC000587891848 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Cl ZINC000587891861 JJ Annotated Unstable CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC(F)F ZINC000587891864 JJ Annotated Mild CCOC(=O)c1c(C(F)(F)F)nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccn12 ZINC000587891888 JJ Annotated Mild CC(C)(O)C#Cc1cc(OC(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891895 JJ Annotated Mild N#CSc1cc(OC(F)(F)F)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891982 JJ Annotated Reactive Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000587892018 JJ Annotated Mild CCOC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587892041 JJ Annotated Mild CCOC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(C(F)(F)F)c2n1 ZINC000587892107 JJ Annotated Mild Nc1c(Cl)cc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892115 JJ Annotated Mild CC(=O)Nc1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892118 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Br)c(C(F)(F)F)c1 ZINC000587892163 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)OCC(F)(F)F)c(F)c1 ZINC000587892203 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC(=O)OCC(F)(F)F)c1 ZINC000587892222 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(NOCC(F)(F)F)=CCCO2 ZINC000587892287 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cc(C(=O)C(F)(F)F)[nH]c12 ZINC000587892313 JJ Annotated Mild COC(=O)c1cc(C(F)(F)F)ccc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892417 JJ Annotated Mild Nc1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OC(F)(F)F)cc2s1 ZINC000587892433 JJ Annotated Mild CC(C)Nc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c1F ZINC000587892442 JJ Annotated Mild Nc1c(Br)cc(OC(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892459 JJ Annotated Mild CC(=O)Nc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892471 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000587892548 JJ Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)cc1OC(F)F ZINC000587892667 JJ Annotated Mild CCCCNc1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587892683 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)ncc(Br)c1C(F)(F)F ZINC000587892732 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCc2nccn2C(F)F)cc1 ZINC000587892736 JJ Annotated Mild CC(=O)Nc1cc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587892744 JJ Annotated Mild CCOC(=O)CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000587892778 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c([N+](=O)[O-])ccc(Br)c1F ZINC000587892807 JJ Annotated Mild O=C=Nc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587892816 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl ZINC000587892855 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F ZINC000587892984 JJ Annotated Unstable N#Cc1c(O)nc(C2CC2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(F)(F)F ZINC000587893007 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OCC(F)(F)F)c([N+](=O)[O-])cc1F ZINC000587893099 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)OCC(F)(F)F ZINC000587893139 JJ Annotated Mild CCOC(=O)c1ccc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587893148 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CC[C@H](C(=O)O)C(F)(F)F)cc1 ZINC000587893170 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CC[C@@H](C(=O)O)C(F)(F)F)cc1 ZINC000587893171 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1 ZINC000587893206 JJ Annotated Unstable COc1cc(CC#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(F)(F)F ZINC000587893232 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c(S(=O)(=O)Cl)c1 ZINC000587893305 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C[C@@H](c2ccccc2C(F)(F)F)ON1 ZINC000587893311 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C[C@H](c2ccccc2C(F)(F)F)ON1 ZINC000587893319 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cc(F)c(F)c1[N+](=O)[O-] ZINC000587893440 JJ Annotated Mild CC(C)(C)Nc1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587893454 JJ Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)c1ccccc1F ZINC000587893803 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCCCl)cc1F ZINC000587893998 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C(=O)Cc2ccccc2F)c1 ZINC000587894058 JJ Annotated Mild CCOC(=O)[C@@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894431 JJ Annotated Reactive CCOC(=O)[C@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894432 JJ Annotated Reactive CC(C)(C)OC(=O)NN=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894671 JJ Annotated Reactive CC(C)(C)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c1[N+](=O)[O-] ZINC000587894721 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(I)cc2c1 ZINC000587894800 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cc(I)cnc12 ZINC000587894881 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(I)cccc2c1 ZINC000587894951 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)c2ncccc2c1 ZINC000587894957 JJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C\c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587895026 JJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C/c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587895027 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Cl)ccc(S(=O)(=O)Cl)c1Cl ZINC000587895097 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1S(=O)(=O)C1CCCCC1 ZINC000587895109 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(S)n2Cc2ccccc2)o1 ZINC000587895123 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2c(S)nnc2-c2ccccn2)cc1 ZINC000587895195 JJ Annotated Mild CCCN(CCC)S(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895213 JJ Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1I ZINC000587895332 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ccc(I)cc2c1 ZINC000587895424 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)cc2cccnc12 ZINC000587895450 JJ Annotated Mild CCc1ccc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895475 JJ Annotated Mild COC(=O)c1sc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587895567 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc(S(=O)(=O)Cl)cs2)cc1 ZINC000587895685 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Nc2sccc2C(=O)O)cc1 ZINC000587895755 JJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)cc1I ZINC000587895807 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000587895838 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2c(S)nnc2-c2cccnc2)cc1 ZINC000587895923 JJ Annotated Mild CC#CCCOC(=S)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895952 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1 ZINC000587895975 JJ Annotated Mild CCc1sc(-c2nnc(S)n2CC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896006 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nc(S(=O)(=O)Cl)cs2)c1 ZINC000587896138 JJ Annotated Unstable CCCCCCNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896172 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)C2CCCCC2)cc1 ZINC000587896208 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ncccc2C(=O)O)cc1 ZINC000587896321 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2c(S)nnc2-c2ccncc2)cc1 ZINC000587896323 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000587896331 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc2oc(S)nc12 ZINC000587896362 JJ Annotated Mild CC(C)(C)OC(=O)N1CCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(F)c21 ZINC000587896392 JJ Annotated Mild COC(=O)c1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1C ZINC000587896481 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ccccc2C(=O)O)nc1 ZINC000587896534 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)CCl)c1Br ZINC000587896563 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(S(=O)(=O)Cl)ccc2c1 ZINC000587896779 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)csc1C(=O)CCl ZINC000587896783 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl ZINC000587896787 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cn2cc(N=C=S)cn2)cc1 ZINC000587896846 JJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(S(=O)(=O)Cl)ccc2ccccc12 ZINC000587896982 JJ Annotated Unstable CC(C)(C)c1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897062 JJ Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2nc(S)oc2c1 ZINC000587897128 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ncccc2CO)cc1 ZINC000587897173 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(S)n(-c3ccccc3)c(=O)c2c1 ZINC000587897184 JJ Annotated Mild CCCCCn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587897197 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Sc2cccc(C(=O)O)n2)c1 ZINC000587897253 JJ Annotated Mild COC(=O)c1scc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1N ZINC000587897261 JJ Annotated Mild COC(=O)CCCSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897303 JJ Annotated Mild CCOC(=O)[C@H](C)Sc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897345 JJ Annotated Mild CCOC(=O)[C@@H](C)Sc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897346 JJ Annotated Mild COC(=O)c1sc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1N ZINC000587897404 JJ Annotated Mild O=Cc1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)nc2ccccn12 ZINC000587897409 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(CN3CCNCC3)s2)cc1 ZINC000587897412 JJ Annotated Mild Cc1ccc(C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc2N)cc1 ZINC000587897417 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000587897427 JJ Annotated Mild CCOC(=O)c1sc(-c2ccccn2)nc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897451 JJ Annotated Mild O=C(O)Cc1csc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)n1 ZINC000587897478 JJ Annotated Mild O=C(O)Cc1csc(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)n1 ZINC000587897502 JJ Annotated Mild COC(=O)c1sc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1N ZINC000587897554 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc(C(=O)O)cs2)s1 ZINC000587897573 JJ Annotated Mild CC(C)(C)OC(=O)NCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897574 JJ Annotated Mild CCOC(=O)c1sccc1Oc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587897583 JJ Annotated Mild CC(C)(C)OC(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897603 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(-c2nc(C(=O)O)cs2)c1 ZINC000587897642 JJ Annotated Mild COC(=O)c1csc(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897656 JJ Annotated Mild C=CCN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1)C(=O)CCl ZINC000587897671 JJ Annotated Reactive CCOC(=O)c1csc(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897677 JJ Annotated Mild CCOC(=O)c1csc(Cc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587897713 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sccc1CN1C(=O)c2ccccc2C1=O ZINC000587897742 JJ Annotated Mild COC(=O)c1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)OC(C)(C)C ZINC000587897778 JJ Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1C(=O)O ZINC000587897793 JJ Annotated Mild COCCNCc1nc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cs1 ZINC000587897811 JJ Annotated Mild CN(C(=O)OC(C)(C)C)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897871 JJ Annotated Mild COC(=O)c1csc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897890 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)CBr)cc(Br)c1N ZINC000587897942 JJ Annotated Reactive CCOC(=O)c1sc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1N ZINC000587898066 JJ Annotated Mild N#C/C(=C\c1cc2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1)C(=O)O ZINC000587898297 JJ Annotated Reactive N#C/C(=C/c1cc2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1)C(=O)O ZINC000587898301 JJ Annotated Reactive Nc1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc2sccn12 ZINC000587898787 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cc3nc[nH]c(=O)c3s2)cc1 ZINC000587898900 JJ Annotated Mild CCN1C(=O)/C(=C\c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)SC1=S ZINC000587898901 JJ Annotated Mild CCN1C(=O)/C(=C/c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)SC1=S ZINC000587898902 JJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc3sccn3c2CO)cc1 ZINC000587899127 JJ Annotated Mild O=Cc1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc2sccn12 ZINC000587899146 JJ Annotated Mild COC(=O)c1sc2nc(C3CC3)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1N ZINC000587899256 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c([N+](=O)[O-])c(Br)c1O ZINC000587899704 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(C(=O)O)c(Br)c1O ZINC000587899795 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Br)c1[N+](=O)[O-] ZINC000587900137 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(Br)cc(Br)c1[N+](=O)[O-] ZINC000587900146 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc(Br)c1[N+](=O)[O-] ZINC000587900226 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc(Br)c1C(=O)O ZINC000587900278 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c([N+](=O)[O-])c(Br)c1N ZINC000587900526 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Br)c1C(=O)O ZINC000587900557 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)c(Br)c1[N+](=O)[O-] ZINC000587901095 JJ Annotated Mild COc1ccc(Cl)cc1C#CC1=CC(Br)(Br)C=C(Br)C1=O ZINC000587901165 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC000587902260 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1 ZINC000587905331 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H](C(=O)O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000587905645 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H](C(=O)O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000587905646 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc1 ZINC000587905810 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1 ZINC000587905811 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000587909023 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000587909024 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C=O)c1 ZINC000587909055 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C=O)c1 ZINC000587909057 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C23C[C@H]4C[C@@H](CC(CC(=O)O)(C4)C2)C3)nc1[N+](=O)[O-] ZINC000587909410 JJ Annotated Mild CCOC(=O)c1cc2cc(Br)cc(C#Cc3cc(Cl)ccc3OC)c2[nH]c1=O ZINC000587911242 JJ Annotated Mild CCOC(=O)c1cc2cc(C#Cc3cc(Cl)ccc3OC)cc(Br)c2nc1O ZINC000587911931 JJ Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc(Br)c1NC(=O)C(F)(F)F ZINC000587912241 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cccn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1=O ZINC000587912458 JJ Annotated Mild COC(=O)c1cc(Br)cc(C#Cc2cc(Cl)ccc2OC)c1NC(=O)C(F)(F)F ZINC000587912811 JJ Annotated Mild CCN(CC)S(=O)(=O)c1ccc(OC(F)(F)F)cc1C#Cc1cc(Cl)ccc1OC ZINC000587914676 JJ Annotated Mild CCOC(=O)c1c[nH]c2c(C#Cc3cc(Cl)ccc3OC)cc(OC(F)(F)F)cc2c1=O ZINC000587914808 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587914993 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(F)c1 ZINC000587916340 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1F ZINC000587916821 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)cc(I)c1N ZINC000587917458 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)c(C=O)c2oc(C(C)(C)C)nc12 ZINC000587917500 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2ncnc(OS(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000587917580 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(I)cc1NC(=O)C(C)(C)C ZINC000587917814 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c2cc(Cl)c(I)cc2c1=O ZINC000587918048 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(-c2cc(C)nc(S(C)(=O)=O)n2)cc1OC ZINC000587918153 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cc2)c1 ZINC000587918220 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1S(=O)(=O)Cl ZINC000587918350 JJ Annotated Unstable COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000587918902 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)O)C3)nn2)cc1 ZINC000587919070 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)cc1 ZINC000587919072 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncnc(Cl)c12 ZINC000587919799 JJ Annotated Mild CCN1C(=O)/C(=C\c2cc(C#Cc3cc(Cl)ccc3OC)cc(OC)c2O)SC1=S ZINC000587920369 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-n2nc(C(=O)c3ccccc3)sc2=NC#N)c1 ZINC000587920474 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000587920612 JJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(N(C)C)nc3cc(C(=O)O)sc32)cc1 ZINC000587921285 JJ Annotated Mild CN(c1ccc(-c2csc(COc3ccc(OC(F)(F)F)cc3)n2)cc1)S(C)(=O)=O ZINC000587922551 JJ Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccccc3I)n2)cc1)S(C)(=O)=O ZINC000587922579 JJ Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)cc1)S(C)(=O)=O ZINC000587922619 JJ Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(I)cc3)n2)cc1)S(C)(=O)=O ZINC000587922869 JJ Annotated Anodyne CCN(c1ccc(-c2csc(Cc3ccccc3Br)n2)cc1)S(C)(=O)=O ZINC000587922890 JJ Annotated Anodyne CN(c1ccc(-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587923015 JJ Annotated Anodyne CCN(c1ccc(-c2csc(CCn3cnc4cc(C)c(C)cc43)n2)cc1)S(C)(=O)=O ZINC000587923056 JJ Annotated Anodyne CCN(c1ccc(-c2csc(Cc3ccc(Br)cc3)n2)cc1)S(C)(=O)=O ZINC000587923067 JJ Annotated Anodyne CN(c1ccc(-c2csc(COc3cccc(OC(F)(F)F)c3)n2)cc1)S(C)(=O)=O ZINC000587923430 JJ Annotated Anodyne CCN(c1ccc(-c2csc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1)S(C)(=O)=O ZINC000587923480 JJ Annotated Anodyne CCN(c1ccc(-c2csc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1)S(C)(=O)=O ZINC000587923481 JJ Annotated Anodyne CCN(c1ccc(-c2csc(C[C@@H](C)n3ccc(C(F)(F)F)n3)n2)cc1)S(C)(=O)=O ZINC000587923513 JJ Annotated Anodyne CCN(c1ccc(-c2csc(C[C@H](C)n3ccc(C(F)(F)F)n3)n2)cc1)S(C)(=O)=O ZINC000587923514 JJ Annotated Anodyne CCN(c1ccc(-c2csc(-c3cccc(I)c3)n2)cc1)S(C)(=O)=O ZINC000587923554 JJ Annotated Anodyne CN(c1ccc(-c2csc(-c3cccc(CNC(=O)OC(C)(C)C)c3)n2)cc1)S(C)(=O)=O ZINC000587923629 JJ Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(C(N)=S)c4ccccc34)n2)cc1)S(C)(=O)=O ZINC000587923691 JJ Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4cccnc4N4CCNC(=O)C4)n3)c2C)c1 ZINC000587924053 JJ Annotated Clean CS(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000587924379 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Cc4ccc(OC)c(OC)c4)[nH]c3c2)cc1 ZINC000587925226 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Cc4ccc(OC)c(OC)c4)[nH]c3c2)cc1 ZINC000587925228 JJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OCC ZINC000587925361 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587925400 JJ Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1OC ZINC000587925646 JJ Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1OC ZINC000587925649 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587925707 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587925710 JJ Annotated Anodyne COc1ccc(CCCc2nc3c(Br)cnc(Br)c3[nH]2)cc1OC ZINC000587925751 JJ Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1OC ZINC000587925983 JJ Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1OC ZINC000587926112 JJ Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1OC ZINC000587926113 JJ Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587926296 JJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(CCCc4ccc(OC)c(OC)c4)[nH]c3c2)cc1 ZINC000587926391 JJ Annotated Anodyne COC(=O)c1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587926853 JJ Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587927100 JJ Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587927102 JJ Annotated Anodyne COc1cc(C2(c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)CC2)ccc1C ZINC000587927179 JJ Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000587927461 JJ Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587927673 JJ Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587927674 JJ Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OCC ZINC000587927880 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(c5ccc(C)c(OC)c5)CC4)[nH]c3c2)cc1 ZINC000587928026 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCCc4ccc(OC)cc4OC)[nH]c3c2)cc1 ZINC000587928528 JJ Annotated Anodyne COc1ccc(CCCc2nc3c(Br)cnc(Br)c3[nH]2)c(OC)c1 ZINC000587928558 JJ Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c(OC)c1 ZINC000587928765 JJ Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587929235 JJ Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587930015 JJ Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587930016 JJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2C)c(OC)c1 ZINC000587931160 JJ Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4nc(C#N)c(C#N)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932195 JJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587932628 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587932629 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587932784 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587932787 JJ Annotated Anodyne COc1cccc(C(=O)c2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c1 ZINC000587932917 JJ Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(O)nc(O)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932920 JJ Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587933980 JJ Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587934218 JJ Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OCC ZINC000587934417 JJ Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934445 JJ Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934449 JJ Annotated Bother Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)cn1 ZINC000587934917 JJ Annotated Bother CN1CCN(c2ccc(-n3c(CCC(=O)O)ccc3-c3cccs3)cc2Br)CC1 ZINC000587935103 JJ Annotated Clean COc1ccc(-c2cc(O)n(-c3cccc(Br)c3N)c2O)cc1Br ZINC000587935108 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CC4=CCCc5cc(OC)ccc54)[nH]c3c2)cc1 ZINC000587935231 JJ Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587935327 JJ Annotated Mild COc1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1Br ZINC000587935416 JJ Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935510 JJ Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935517 JJ Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587935823 JJ Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587935829 JJ Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587935830 JJ Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587935832 JJ Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc(OC)cc3)c2O)c(Cl)cc1Br ZINC000587936151 JJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1 ZINC000587936180 JJ Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1Br ZINC000587936190 JJ Annotated Bother CCOC(=O)c1cc(OCC)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1OCC ZINC000587936215 JJ Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936336 JJ Annotated Mild O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587936426 JJ Annotated Bother CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587936531 JJ Annotated Anodyne CC(=O)SCc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587936571 JJ Annotated Mild COc1cc(-c2ccccc2)c(OC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936584 JJ Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccccc4Cl)c3O)cc2Br)CC1 ZINC000587936588 JJ Annotated Anodyne CN1CCN(c2ccc(-n3c(CCC(=O)O)ccc3-c3ccccc3)cc2Br)CC1 ZINC000587936623 JJ Annotated Clean COc1ccc(-c2cc(O)n(-c3c(N)cccc3Br)c2O)cc1Br ZINC000587936668 JJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1 ZINC000587936753 JJ Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2O)cc1Br ZINC000587936925 JJ Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936934 JJ Annotated Mild CCCCc1ccc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(Br)c1 ZINC000587936951 JJ Annotated Bother COC(=O)c1cc(-n2c(O)cc(-c3ccccc3OC)c2O)c(Cl)cc1Br ZINC000587937305 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587937340 JJ Annotated Bother COC(=O)c1cc(-n2c(O)cc(Cc3ccccc3)c2OC)c(Cl)cc1Br ZINC000587937385 JJ Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587937541 JJ Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587937542 JJ Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587937543 JJ Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587937544 JJ Annotated Anodyne O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587937662 JJ Annotated Bother CN1CCN(c2ccc(-n3c(O)ccc3OCCCc3ccccc3)cc2Br)CC1 ZINC000587937817 JJ Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(Cl)cc1Br ZINC000587937867 JJ Annotated Bother COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)cc1 ZINC000587938043 JJ Annotated Clean CC(C)c1cc(OC(C)(C)C)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587938068 JJ Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccc(Cl)cc4)c3O)cc2Br)CC1 ZINC000587938086 JJ Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938800 JJ Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939084 JJ Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(Br)cnc1Br ZINC000587939215 JJ Annotated Bother CCOC(=O)c1cc(OCC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587939216 JJ Annotated Anodyne CCOC(=O)c1cc(OCC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OCC ZINC000587939217 JJ Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(Br)cnc1Br ZINC000587939221 JJ Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587939228 JJ Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587939229 JJ Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587939231 JJ Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587939233 JJ Annotated Bother COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc3cnccc3c(Br)n2)cc1 ZINC000587939386 JJ Annotated Clean CC(C)(C)c1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 ZINC000587940237 JJ Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940329 JJ Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587940737 JJ Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940983 JJ Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941246 JJ Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(C(=O)O)ncc1Br ZINC000587941309 JJ Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941321 JJ Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cnc(C)c(Br)n1 ZINC000587941345 JJ Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941399 JJ Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941401 JJ Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587941797 JJ Annotated Clean Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587941810 JJ Annotated Clean CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941892 JJ Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587942147 JJ Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1c[nH]cc(Br)c1=O ZINC000587942396 JJ Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943159 JJ Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943160 JJ Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000587943285 JJ Annotated Bother Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943392 JJ Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)ccc1-c1ccc(S(C)(=O)=O)cc1 ZINC000587943644 JJ Annotated Clean CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(F)c(Br)cc2F)c1OCC ZINC000587943981 JJ Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OCC ZINC000587944071 JJ Annotated Bother COc1ccc(-c2ccc(CCC(=O)O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)cc1 ZINC000587944307 JJ Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2cccc(Cl)c2)c1O ZINC000587944393 JJ Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1Br ZINC000587944779 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CCc5ccc(OC)cc5C4)[nH]c3c2)cc1 ZINC000587944987 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCc5ccc(OC)cc5C4)[nH]c3c2)cc1 ZINC000587944989 JJ Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945686 JJ Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945917 JJ Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945965 JJ Annotated Anodyne COc1ccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1Br ZINC000587946165 JJ Annotated Anodyne COc1ccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1Br ZINC000587946166 JJ Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946203 JJ Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946206 JJ Annotated Bother CCOC(=O)c1cc(OCC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OCC ZINC000587946270 JJ Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)ccc1OCCCc1ccccc1 ZINC000587946500 JJ Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)n1 ZINC000587946514 JJ Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946695 JJ Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946696 JJ Annotated Bother C=CCOc1c(-c2ccccc2)cc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946777 JJ Annotated Mild O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccc(Cl)cc2)c1O ZINC000587946825 JJ Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Br)cnc(Br)c4[nH]1)(C3)C2 ZINC000587949393 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587949405 JJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587949406 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3c2)cc1 ZINC000587949955 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587950618 JJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)nc2c1 ZINC000587951033 JJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C45C[C@H]6C[C@@H](CC(OC(C)=O)(C6)C4)C5)[nH]c3c2)cc1 ZINC000587951657 JJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587951727 JJ Annotated Anodyne CCc1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c1 ZINC000587952664 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000587953458 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C)cc3[nH]2)cc1 ZINC000587953527 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(F)c3[nH]2)cc1 ZINC000587953582 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(C)c3[nH]2)cc1 ZINC000587953708 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000587953831 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000587953908 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000587954017 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)cc(F)c3[nH]2)cc1 ZINC000587954028 JJ Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000587954050 JJ Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000587956644 JJ Annotated Anodyne CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(C)C ZINC000587957076 JJ Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(C)C ZINC000587957077 JJ Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587957699 JJ Annotated Anodyne Cc1ccc(C)c(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587959414 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CC3CCCCCC3)nc1-2 ZINC000587960937 JJ Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961331 JJ Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961340 JJ Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961341 JJ Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961343 JJ Annotated Anodyne CC[C@@]1(Cc2nc3c(I)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961759 JJ Annotated Anodyne CC[C@]1(Cc2nc3c(I)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961767 JJ Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587962142 JJ Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc1-2 ZINC000587962717 JJ Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587962839 JJ Annotated Bother C[C@@H]1CC=CC[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587967300 JJ Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]1)(C3)C2 ZINC000587969295 JJ Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]1)(C3)C2 ZINC000587969329 JJ Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000587970463 JJ Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br ZINC000587970850 JJ Annotated Mild CCCCCCCCOc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br ZINC000587970852 JJ Annotated Mild CCCCCCCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br ZINC000587970853 JJ Annotated Mild Cc1cccc(C)c1-c1noc(C)c1N(C)C(=O)NCc1ccc(OC2CCOCC2)nc1 ZINC000059069454 JJ Annotated Anodyne COc1nc(/C=C/c2nc3n(n2)CCC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000059103022 JJ Annotated Anodyne CC(=O)O[C@H]1O[C@H]2C[C@@H]1[C@@H](C=O)[C@]1(COC(=O)CC(C)C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]21 ZINC000059110248 JJ Annotated Mild CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)CC)n2Cc1cc(F)ccc1F ZINC000059149936 JJ Annotated Mild O=C1c2ccccc2[C@@](OCCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000059151966 JJ Annotated Bother O=C1c2ccccc2[C@](OCCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000059151969 JJ Annotated Bother O=C1c2ccccc2[C@@](OCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000059152182 JJ Annotated Bother O=C1c2ccccc2[C@](OCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000059152184 JJ Annotated Bother Cc1cc(O)c2c(c1)[C@]1(C)C[C@@]34OC(=O)C[C@@](C)([C@H]1C(=O)[C@@H]2C)[C@]3(C)CC[C@]12C[C@@H](C)C[C@H](CN14)O2 ZINC000059157250 JJ Annotated Anodyne O=C1C[C@H]2CC(=O)c3c(O)cccc3[C@@]23C(=C2C=CC(=O)c4c(O)ccc3c42)c2cccc(O)c21 ZINC000059182979 JJ Annotated Mild O=C1C[C@@H]2CC(=O)c3c(O)cccc3[C@]23C(=C2C=CC(=O)c4c(O)ccc3c42)c2cccc(O)c21 ZINC000059182980 JJ Annotated Mild C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)O ZINC000059204431 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)O ZINC000059204432 JJ Annotated Anodyne Cc1c(N2CCCC2)cccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O ZINC000059298057 JJ Annotated Anodyne C=C(C)[C@@H](CCC(C)(C)O)Cc1c(O)cc(OC)c(C(=O)/C(O)=C/c2ccc(O)cc2O)c1O ZINC000059586137 JJ Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000059586343 JJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3[C@H]2COC(C)=O)CCc2cc(O)ccc2-4)ccc1O ZINC000059587900 JJ Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O ZINC000059762289 JJ Annotated Mild in-man endogenous COc1cccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)c(Cl)cc32)c1 ZINC000059790568 JJ Annotated Anodyne COc1cccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)c(Cl)cc32)c1 ZINC000059790569 JJ Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000059796569 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(N(C)C)cc1 ZINC000059796570 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000059796571 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000059796572 JJ Annotated Mild COc1ccc([C@H]2/C=C/CN(C(=O)C3CCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059888590 JJ Annotated Anodyne CCCCN(C[C@@H]1CCCCN1)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000059901487 JJ Annotated Anodyne CCCCN(C[C@H]1CCCCN1)C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000059901489 JJ Annotated Anodyne C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)Nc1nc(C34CC5CC(CC(C5)C3)C4)cs1)C(=O)N2 ZINC000006003145 JJ Annotated Anodyne C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1nc(C34CC5CC(CC(C5)C3)C4)cs1)C(=O)N2 ZINC000006003147 JJ Annotated Anodyne COC(=O)CCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000006004000 JJ Annotated Anodyne CC(=O)Oc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC(C)=O)C12C(=O)c1ccccc1C2=O ZINC000006004506 JJ Annotated Clean O=C(Nc1ccccc1)N(C1=NC[C@@H](CI)S1)c1ccc(F)c(F)c1 ZINC000006004733 JJ Annotated Reactive N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)/N=C(/NO)Nc2ccc(Cl)cc2)cc1 ZINC000006010144 JJ Annotated Mild O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)/N=C(/NO)Nc2ccc(Cl)cc2)cc1 ZINC000006010145 JJ Annotated Mild O=C1NC(=O)/C(=C2\CN(Cc3ccc(/C=C/c4ccccc4)cc3)S(=O)(=O)c3ccccc32)S1 ZINC000006011853 JJ Annotated Anodyne N/C(=N/S(=O)(=O)c1ccc(-c2ncccc2C(F)(F)F)s1)Nc1ccc(Cl)cc1 ZINC000006013573 JJ Annotated Mild O=S(=O)(/N=C(/NO)Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006013605 JJ Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C(=O)[C@H](OC(=O)C(=C)[C@@H]3CC[C@]4(C)CCCC(=C)[C@H]4C3)[C@@](C)(O)[C@@H]12 ZINC000006019114 JJ Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C(=O)[C@H](OC(=O)C(=C)[C@@H]3CC[C@]4(C)CCCC(=C)[C@H]4C3)[C@@](C)(O)[C@H]12 ZINC000006019117 JJ Annotated Mild C=C1CCC[C@@]2(C)CC[C@@H](C(=C)C(=O)O[C@H]3C(=O)C4=C(C)CC[C@@H]5C(=C)C(=O)O[C@@H]5[C@H]4[C@]3(C)O)C[C@H]12 ZINC000006019119 JJ Annotated Mild C=C1CCC[C@@]2(C)CC[C@@H](C(=C)C(=O)O[C@H]3C(=O)C4=C(C)CC[C@@H]5C(=C)C(=O)O[C@@H]5[C@@H]4[C@]3(C)O)C[C@H]12 ZINC000006019120 JJ Annotated Mild C=C(C1=CC(=O)C(C)(C)O1)[C@@H]1CC=C([C@@H]2CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)[C@H](O)C[C@]32C)[C@H](O)O1 ZINC000006019667 JJ Annotated Mild O=[N+]([O-])c1cccc(S(=O)(=O)n2c(SC/C(O)=N/C3CCCCC3)nc3ccccc32)c1 ZINC000006023513 JJ Annotated Mild COc1ccc(C2=NN(C(=O)c3cccnc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000006040661 JJ Annotated Anodyne CC1=C2O[C@]3(O)C=C2[C@H](C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]3C)[C@H](C)[C@H](O)[C@H]1C ZINC000006040806 JJ Annotated Mild Cc1c(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000006041457 JJ Annotated Clean Cc1c(N2C(=O)/C(=C/C=C/c3ccccc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000006041460 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000006041470 JJ Annotated Anodyne COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000006041471 JJ Annotated Anodyne COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000006041472 JJ Annotated Anodyne COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000006041473 JJ Annotated Anodyne O=S(=O)(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 ZINC000006055984 JJ Annotated Clean CN1Cc2ccccc2[C@H](c2ccc(F)cc2F)N=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000006076078 JJ Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)C2CCCCC2)=NN1 ZINC000006144144 JJ Annotated Anodyne CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O ZINC000006191728 JJ Annotated Clean CCN(CC)CCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006193175 JJ Annotated Anodyne CCN(CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)N[C@@H](C)c1ccccc1 ZINC000006193448 JJ Annotated Anodyne CCN(CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)N[C@H](C)c1ccccc1 ZINC000006193449 JJ Annotated Anodyne CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCCN(CC)CC)cc2c1 ZINC000006197792 JJ Annotated Anodyne C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(/C(O)=N/C3CCCCCC3)c(=O)c2c1 ZINC000006296450 JJ Annotated Mild C=C1CC[C@H](Cl)C(C)(C)[C@@H]1O[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O ZINC000060184136 JJ Annotated Reactive in-vitro CCCCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327133 JJ Annotated Anodyne CCCCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327134 JJ Annotated Anodyne CCC/C=C/c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328834 JJ Annotated Anodyne CCC/C=C/c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328835 JJ Annotated Anodyne CCc1nc2c(OCCc3cccc(OC)c3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061896024 JJ Annotated Anodyne COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCc2ccc(C(C)C)cc2)sc1=O ZINC000061896391 JJ Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc(-c2ccccn2)cc1 ZINC000061896424 JJ Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc(-c2ccccn2)cc1 ZINC000061896425 JJ Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cn2c1N(CC)C(=O)NCCc1ccccc1 ZINC000061896595 JJ Annotated Anodyne CN(C(=O)CN1CCN(c2cc(-c3cccc4oc5ccccc5c34)ncn2)CC1)c1ccccc1 ZINC000061897171 JJ Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3cccc4c3CCCC4)no2)cc1 ZINC000061897611 JJ Annotated Mild N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3cccc4c3CCCC4)no2)cc1 ZINC000061897613 JJ Annotated Mild CC(=O)Nc1cc(-c2cccc(NS(C)(=O)=O)c2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061902443 JJ Annotated Anodyne O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061902790 JJ Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(CC)CC(=O)N(C)C ZINC000061902829 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cccc(C(F)(F)F)c4)cn23)c1 ZINC000061903519 JJ Annotated Anodyne CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)cc1 ZINC000061903828 JJ Annotated Clean CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)cc1 ZINC000061903829 JJ Annotated Clean CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061904202 JJ Annotated Anodyne CCc1nc2c(OCc3ccc(C(=O)N(C)C)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061905019 JJ Annotated Anodyne C[C@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061905026 JJ Annotated Anodyne C[C@@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 ZINC000061905027 JJ Annotated Anodyne C/C(O)=N\c1cccc(-c2ccnc3c2C[C@@](C)(/C(O)=N/c2cccc(NS(C)(=O)=O)c2)O3)c1 ZINC000061905157 JJ Annotated Mild C/C(O)=N\c1cccc(-c2ccnc3c2C[C@](C)(/C(O)=N/c2cccc(NS(C)(=O)=O)c2)O3)c1 ZINC000061905158 JJ Annotated Mild CN1CCN(c2ccc(-c3cc(NC=O)c4ncc(-c5ccc(F)c(Cl)c5)n4c3)cc2)CC1 ZINC000061905311 JJ Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 ZINC000061905357 JJ Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 ZINC000061905358 JJ Annotated Anodyne O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061905653 JJ Annotated Anodyne O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061905654 JJ Annotated Anodyne CN(C)c1ccc(CC(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccc(F)c(Cl)c4)no3)C2)cc1 ZINC000061906084 JJ Annotated Anodyne CN(C)c1ccc(CC(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccc(F)c(Cl)c4)no3)C2)cc1 ZINC000061906085 JJ Annotated Anodyne COc1cc(-c2cc(NC(C)=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)cc(OC)c1OC ZINC000061906182 JJ Annotated Anodyne CCc1nc2c(OCCc3cccc(OC)c3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061906539 JJ Annotated Anodyne COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)c3ccc(NC(C)=O)cc3)on2)c(C)c1 ZINC000061906630 JJ Annotated Anodyne COc1ccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)c3ccc(NC(C)=O)cc3)on2)c(C)c1 ZINC000061906631 JJ Annotated Anodyne CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061906856 JJ Annotated Anodyne COC(=O)c1ccc(Cn2c(C)c(C(=O)Nc3cccc(Oc4ccccc4)c3)sc2=O)o1 ZINC000061907039 JJ Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061907148 JJ Annotated Anodyne COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)nn3C)on2)c(C)c1 ZINC000061908154 JJ Annotated Anodyne COc1ccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)nn3C)on2)c(C)c1 ZINC000061908155 JJ Annotated Anodyne CC(C)c1ccc(C(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccc5c(c4)OCO5)no3)C2)cc1 ZINC000061908263 JJ Annotated Anodyne CC(C)c1ccc(C(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccc5c(c4)OCO5)no3)C2)cc1 ZINC000061908264 JJ Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cn2c1N(C)CCCc1ccccc1 ZINC000061908351 JJ Annotated Anodyne CCc1nc2c(OC[C@@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061908528 JJ Annotated Anodyne CCc1nc2c(OC[C@H]3COc4ccccc4O3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061908529 JJ Annotated Anodyne COc1ccc(Cl)cc1Cn1c(C)c(C(=O)NCc2ccccc2C(F)(F)F)sc1=O ZINC000061908802 JJ Annotated Anodyne CSc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1 ZINC000061908825 JJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000061920937 JJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000061920938 JJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000061920955 JJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000061920956 JJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920999 JJ Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921000 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NC2CCCC2)C1 ZINC000061921007 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NC2CCCC2)C1 ZINC000061921008 JJ Annotated Anodyne CCOC(=O)c1cccc(C2=C(CNC(=O)c3nccs3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000061921153 JJ Annotated Anodyne CCOC(=O)c1cccc(C2=C(CNC(=O)c3ocnc3C)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000061921160 JJ Annotated Anodyne CCOC(=O)c1cccc(C2=C(CNC(=O)c3ccncc3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000061921166 JJ Annotated Anodyne CCOC(=O)c1cccc(C2=C(CNC(=O)c3cccnc3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000061921171 JJ Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3cccs3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000061921173 JJ Annotated Anodyne Cc1cc(C)c2c(=O)n3c(nc2c1)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2cc1-3 ZINC000061921325 JJ Annotated Anodyne Cc1cc(C)c2c(=O)n3c(nc2c1)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2cc1-3 ZINC000061921326 JJ Annotated Anodyne COc1cc2nc3n(c(=O)c2cc1OC)-c1cc2ccccc2cc1C(=O)N[C@@H]3Cc1ccccc1 ZINC000061921343 JJ Annotated Anodyne COc1cc2nc3n(c(=O)c2cc1OC)-c1cc2ccccc2cc1C(=O)N[C@H]3Cc1ccccc1 ZINC000061921344 JJ Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921658 JJ Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921659 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000061921696 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000061921699 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061921705 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061921706 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061922999 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923002 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923029 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061923036 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923042 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923052 JJ Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923083 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000061923087 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923102 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923108 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923113 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923140 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000061923142 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923159 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923161 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923166 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923172 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 ZINC000061923422 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 ZINC000061923423 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061923434 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061923435 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061923442 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061923444 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061923537 JJ Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061923541 JJ Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(CC)CC)=C1C ZINC000061923586 JJ Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)CC(C(=O)N(CC)CC)=C1C ZINC000061923588 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923654 JJ Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923657 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923674 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923678 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923682 JJ Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923685 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000061923689 JJ Annotated Anodyne CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923777 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923779 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923794 JJ Annotated Anodyne CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923797 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923802 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923808 JJ Annotated Anodyne CCCCCCN1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 ZINC000061923814 JJ Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000061923829 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000061923849 JJ Annotated Anodyne CCCCCCN1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923854 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000061923857 JJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccccc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923863 JJ Annotated Anodyne CCCCCCN1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccccc1 ZINC000061923866 JJ Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061923871 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923874 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923897 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061923899 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923903 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923906 JJ Annotated Anodyne CCCCCCN1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000061923937 JJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000061923941 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000061923961 JJ Annotated Anodyne CCCCCCN1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923965 JJ Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000061923968 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccccc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923973 JJ Annotated Anodyne CCCCCCN1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccccc1 ZINC000061923977 JJ Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3cccc4ccccc34)[C@H](c3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC000061924023 JJ Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000061924292 JJ Annotated Anodyne O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061925654 JJ Annotated Anodyne O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061925655 JJ Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061925684 JJ Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000061925685 JJ Annotated Anodyne COc1cc(-c2cnc3c(NC(C)=O)cc(-c4ccccc4CN(C)C)cn23)cc(OC)c1OC ZINC000061926201 JJ Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(C)Cc1ccc(N(C)C)cc1 ZINC000061926692 JJ Annotated Clean CCN(CC)C(=O)c1cccc(-c2csc([C@](C)(NC(C)=O)c3ccc(OC)cc3)n2)c1 ZINC000061926845 JJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccc(OC)cc3)n2)c1 ZINC000061926846 JJ Annotated Anodyne O=C(Nc1cccc2c1CCCC2)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061927011 JJ Annotated Anodyne O=C(Nc1cccc2c1CCCC2)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1 ZINC000061927012 JJ Annotated Anodyne CCSc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc1 ZINC000061927022 JJ Annotated Anodyne COc1ccc(F)cc1-c1cc(NC(C)=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)n2c1 ZINC000061927086 JJ Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061927252 JJ Annotated Anodyne CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)nc1 ZINC000061927257 JJ Annotated Anodyne CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)nc1 ZINC000061927258 JJ Annotated Anodyne CCc1nc2c(OCc3ccc(C(=O)OC)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061927309 JJ Annotated Anodyne CCc1nc2c(OCc3ccccc3C(=O)OC)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061927363 JJ Annotated Anodyne CCc1nc2ccc(C(=O)N(C)CCCN(C)C)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000061927866 JJ Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061928450 JJ Annotated Anodyne CCc1nc2c(OCc3ccc(C(=O)OC)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061930113 JJ Annotated Anodyne CN1C=CC(=O)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H]1c1ccccc1Br ZINC000061936362 JJ Annotated Mild C#CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccccc1Br ZINC000061936368 JJ Annotated Mild C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4ccccc4)cc3[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000061942295 JJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4cccc(F)c4)cc3[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000061942570 JJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000061942632 JJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccc(C#N)cc2)c1 ZINC000061942638 JJ Annotated Mild COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2S(=O)(=O)c2ccccc2C)c1 ZINC000061942639 JJ Annotated Anodyne Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2S(=O)(=O)c2ccccc2C)c1 ZINC000061942641 JJ Annotated Anodyne CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3cccc(-c4ccc(C#N)cc4)c3)C[C@@H]21 ZINC000061942651 JJ Annotated Mild COc1ccc(CN(CCC(C)C)S(=O)(=O)c2ccccc2Br)c(OC)c1 ZINC000061944711 JJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2O[C@@H](COCc2ccccc2)CN1Cc1ccccc1 ZINC000061944806 JJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2O[C@H](COCc2ccccc2)CN1Cc1ccccc1 ZINC000061944808 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(C#N)cc3)C(C(=O)O)=C[C@H]2CC2CCCC2)cc1 ZINC000061947025 JJ Annotated Mild CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(OC)c(OC)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947040 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Br)cc3)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 ZINC000061947046 JJ Annotated Anodyne COc1cc2sc(-c3ccc(S(C)(=O)=O)cc3)c(C(=O)NCc3ccc(C)o3)c2cc1OC ZINC000061948024 JJ Annotated Anodyne O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(/C=C/c3ccccc3)cc1S2(=O)=O ZINC000061948827 JJ Annotated Anodyne Cc1cc(N(C)C(=O)c2ccc3c(c2)S(=O)(=O)c2cc(Cl)ccc2C3=O)c(C(F)(F)F)o1 ZINC000061948833 JJ Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)S(=O)(=O)c1cc(Cl)ccc1C2=O ZINC000061948836 JJ Annotated Anodyne C[C@@]12C(=O)N(Cc3ccc(F)cc3)CC(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061949394 JJ Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccc(F)cc3)CC(=O)N12 ZINC000061949410 JJ Annotated Anodyne COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(Br)cc23)cc(OC)c1 ZINC000061949535 JJ Annotated Mild COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061958707 JJ Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1ccc2ccccc2c1 ZINC000061958912 JJ Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1ccc2ccccc2c1 ZINC000061958914 JJ Annotated Anodyne CC(C)C(=O)N[C@@H]1c2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)C[C@H]1OCc1ccccc1 ZINC000061959118 JJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061959418 JJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061959420 JJ Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061959421 JJ Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(C)ccc3C(=O)N12 ZINC000061959422 JJ Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(C)cc3C(=O)N12 ZINC000061959423 JJ Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(F)ccc3C(=O)N12 ZINC000061959424 JJ Annotated Anodyne COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(F)cc3C(=O)N12 ZINC000061959425 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000061959452 JJ Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(F)c(F)cc3C(=O)N12 ZINC000061959455 JJ Annotated Anodyne CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccc(Br)c2)on1 ZINC000061959512 JJ Annotated Anodyne O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCc4ccccc4C3)c2N1Cc1ccccc1 ZINC000061959528 JJ Annotated Anodyne O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCc4ccccc4C3)c2N1Cc1ccccc1 ZINC000061959529 JJ Annotated Anodyne O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCCCC3)c2N1Cc1ccc(Br)cc1 ZINC000061959532 JJ Annotated Anodyne O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCCCC3)c2N1Cc1ccc(Br)cc1 ZINC000061959533 JJ Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000061968956 JJ Annotated Anodyne COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2cc([N+](=O)[O-])cc(OC)c2O)s1 ZINC000061970977 JJ Annotated Bother O=S(=O)(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 ZINC000617960113 JJ Annotated Clean O=C(CC(=O)c1ccccc1/N=C1\C=C(O)C(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1 ZINC000617995250 JJ Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000618007515 JJ Annotated Anodyne CC(C)c1cc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c(O)c(C(C)C)c1 ZINC000618008208 JJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C ZINC000618008210 JJ Annotated Reactive CN(C)CCSSCCNC(=O)[C@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C ZINC000618008212 JJ Annotated Reactive CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1 ZINC000618009200 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc([C@H]4Nc5ccccc5C4(C)C)c3)CC2)CC1 ZINC000618009225 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc([C@@H]4Nc5ccccc5C4(C)C)c3)CC2)CC1 ZINC000618009231 JJ Annotated Anodyne Cc1ccc2[nH]c(-c3cccc(N4CCC(NCCN5CCN(C(C)C)CC5)CC4)c3)cc2c1 ZINC000618009327 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cc(-c4nc5ccccc5s4)ccc3F)CC2)CC1 ZINC000618009358 JJ Annotated Anodyne Cc1c(-c2cccc(N3CCC(NCCN4CCN(C(C)C)CC4)CC3)c2)[nH]c2ccccc12 ZINC000618009438 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1 ZINC000618009466 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4nc5ccccc5s4)c3)CC2)CC1 ZINC000618009469 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cccc(F)c5[nH]4)c3)CC2)CC1 ZINC000618009515 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5c(F)cccc5[nH]4)c3)CC2)CC1 ZINC000618009516 JJ Annotated Anodyne Cc1c(-c2cc3ccccc3[nH]2)cccc1N1CCC(NCCN2CCN(C(C)C)CC2)CC1 ZINC000618009654 JJ Annotated Anodyne CN(C)CCSSCCN(C)C(=O)[C@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C ZINC000618009816 JJ Annotated Reactive CN(C)CCSSCCN(C)C(=O)[C@@H](CC(=O)c1ccccc1)c1cc2ccccc2n1C ZINC000618009817 JJ Annotated Reactive CC(C)N1CCN(CCN[C@@H]2C[C@@H]3CC[C@H](C2)N3c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618009871 JJ Annotated Anodyne CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCC2)CC1 ZINC000618009887 JJ Annotated Anodyne Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2ccccc2[nH]1 ZINC000618010002 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3ccc4c(c3)-c3[nH]c5ccccc5c3CC4)CC2)CC1 ZINC000618010069 JJ Annotated Anodyne CC[C@@H](C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010082 JJ Annotated Anodyne CC[C@H](C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010083 JJ Annotated Anodyne CC(C)(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010346 JJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3ccc(F)c(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010353 JJ Annotated Anodyne CN(C)CCSSCCCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC000618010386 JJ Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc(F)cc5[nH]4)c3)CC2)CC1 ZINC000618010460 JJ Annotated Anodyne FC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010535 JJ Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(C)(=O)=O)ccc5[nH]4)c3)CC2)CC1 ZINC000618011768 JJ Annotated Anodyne Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1 ZINC000618011778 JJ Annotated Anodyne Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(C#N)ccc2[nH]1 ZINC000618011808 JJ Annotated Mild Cc1ccc(Sc2ccc(NC(=O)C[C@@H]3C(=O)N[C@H](c4ccccn4)N[C@H]3C)cc2)cc1C ZINC000618012342 JJ Annotated Anodyne Cc1ccc(Sc2ccc(NC(=O)C[C@@H]3C(=O)N[C@H](c4ccccn4)N[C@@H]3C)cc2)cc1C ZINC000618012353 JJ Annotated Anodyne O=S(=O)(Nc1cccc(Cl)c1)c1ccc(O)c(/N=C/c2c(O)nc(O)c3ccccc23)c1 ZINC000618015317 JJ Annotated Mild COC(=O)CC1=Nc2cc(C)c(C)cc2NC(SCC(=O)NCc2ccc(Cl)cc2)=C1 ZINC000618016615 JJ Annotated Anodyne O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000618016769 JJ Annotated Anodyne O=C1NCCCNC(=O)C2(C/C=C/CCOc3ccccc31)CCN(Cc1ccccc1Cl)CC2 ZINC000618016822 JJ Annotated Anodyne Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccccc2CN2CCCC2)n1 ZINC000618016832 JJ Annotated Anodyne Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2CN2CCCC2)n1 ZINC000618016833 JJ Annotated Anodyne CN1C(=O)C2(CCN(C(=O)c3ccnc(Oc4ccccc4F)c3)CC2)C[C@H]1Cc1ccccc1 ZINC000618016959 JJ Annotated Anodyne CN1C(=O)C2(CCN(C(=O)c3ccnc(Oc4ccccc4F)c3)CC2)C[C@@H]1Cc1ccccc1 ZINC000618016966 JJ Annotated Anodyne O=C(COCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000618017182 JJ Annotated Anodyne O=C(COCc1nc2ccccc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000618017185 JJ Annotated Anodyne O=C1NCC2(CCCCCOc3ccc(Cl)cc31)CCN(C(=O)c1n[nH]c3ccccc13)CC2 ZINC000618017209 JJ Annotated Anodyne Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(Cc4ccccc4OCC(=O)O)CC[C@@H]3O[C@H]21 ZINC000618017272 JJ Annotated Anodyne Cc1cc(C)n(-c2cccc(C(=O)N3C[C@@H](c4ccc(F)cc4)[C@@]4(CCCCC(=O)N4C)C3)c2)n1 ZINC000618017307 JJ Annotated Anodyne COCc1nc2ccccc2n1CC(=O)N1CCCCCCCN(C(C)=O)c2ccccc2C1 ZINC000618017638 JJ Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)c2ccc(Cn3cc(C)cn3)o2)Cc2ccccc21 ZINC000618017775 JJ Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)c2ccccc2Cn2ccnc2)Cc2ccccc21 ZINC000618018194 JJ Annotated Anodyne Cc1ccc(NCC(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@H]2Cc2ccccc2)cc1 ZINC000618018350 JJ Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCC3(CCCCCCOc4ccccc4C(=O)NC3)CC2)[nH]n1 ZINC000618018359 JJ Annotated Anodyne Cc1nc(-c2ccc([C@@H](c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)cc2)cs1 ZINC000062225140 JJ Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(Oc3ccccn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225154 JJ Annotated Anodyne CO/C(=C/c1ccc(O)cc1)C(=O)N/C=C/c1cc(Br)c(OC)c(Br)c1 ZINC000062241997 JJ Annotated Anodyne COc1cc(CNc2ncccc2-c2cc(C(=O)NC3CCCCCC3)on2)cc(OC)c1OC ZINC000621428653 JJ Annotated Anodyne CC1(C)c2cc(Br)ccc2N(CCc2nn[nH]n2)c2ccc(Br)cc21 ZINC000621431767 JJ Annotated Anodyne Brc1ccc2c(c1)Sc1cc(Br)ccc1N2CCc1nn[nH]n1 ZINC000621431849 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000621441640 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000621441641 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000621441642 JJ Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000621441643 JJ Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000621441648 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000621441649 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000621441650 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000621441651 JJ Annotated Mild CN(C)c1cccc2c(S(=O)(=O)N3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cccc12 ZINC000621476112 JJ Annotated Reactive O=C(c1cc(-c2ccco2)on1)N1CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC1 ZINC000621477557 JJ Annotated Anodyne CCN(CC)c1ccc([C@]2(C(F)(F)F)Nc3cc(-c4ccc(OC)cc4)nn3C(N)=C2C#N)cc1 ZINC000621477560 JJ Annotated Reactive CCN(CC)c1ccc([C@@]2(C(F)(F)F)Nc3cc(-c4ccc(OC)cc4)nn3C(N)=C2C#N)cc1 ZINC000621477565 JJ Annotated Reactive O=C(N[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1)c1cc(-c2ccco2)on1 ZINC000621477895 JJ Annotated Anodyne O=C(N[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1)c1cc(-c2ccco2)on1 ZINC000621477896 JJ Annotated Anodyne Nc1ncc(/C=C/C(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12 ZINC000063298091 JJ Annotated Anodyne CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21 ZINC000063298484 JJ Annotated Mild CCCN(CCC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000064261552 JJ Annotated Anodyne N#C/C(=C/n1cc(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1nn(CCO)c(N)c1C#N ZINC000064264658 JJ Annotated Reactive COc1cc2cc(C(=O)Nc3cc(O)c4ncc(C)cc4c3CCCl)[nH]c2c(OC)c1OC ZINC000064264774 JJ Annotated Reactive CCN(CC)CC[C@@H](C)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000064274752 JJ Annotated Anodyne CCN(CC)CC[C@H](C)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000064274754 JJ Annotated Anodyne Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000064286929 JJ Annotated Anodyne COc1cc(F)ccc1[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCCCCC1 ZINC000064298248 JJ Annotated Anodyne COc1cc(F)ccc1[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000064311467 JJ Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000064353908 JJ Annotated Anodyne CCN1CCC[C@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12 ZINC000064361416 JJ Annotated Anodyne CCN1CCN(CCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000064372914 JJ Annotated Anodyne CCN1CCN(CCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064372918 JJ Annotated Anodyne COc1cc(Br)c([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1OC ZINC000064373236 JJ Annotated Reactive CC1(C)CC(Nc2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)CC(C)(C)N1 ZINC000064403855 JJ Annotated Anodyne CCCCCCCCCCCCc1cccc([C@@]2(O)NC(=O)c3c[n+](CC(=O)OCC)ccc32)c1 ZINC000064415780 JJ Annotated Mild CCCCCCCCCCCCc1cccc([C@]2(O)NC(=O)c3c[n+](CC(=O)OCC)ccc32)c1 ZINC000064415781 JJ Annotated Mild O=C1/C(=C/c2ccccc2F)CN(C(=O)c2ccccc2C(=O)O)C/C1=C\c1ccccc1F ZINC000064416836 JJ Annotated Mild O=C1/C(=C/c2ccccc2F)CN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)C/C1=C\c1ccccc1F ZINC000064417065 JJ Annotated Mild O=C1/C(=C/c2ccccc2F)CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)C/C1=C\c1ccccc1F ZINC000064417067 JJ Annotated Mild O=C1/C(=C/c2ccccc2F)CN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)C/C1=C\c1ccccc1F ZINC000064417069 JJ Annotated Mild O=C1/C(=C/c2ccccc2F)CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C/C1=C\c1ccccc1F ZINC000064417071 JJ Annotated Mild CCCCCCCCCCCCOc1cccc([C@@]2(O)NC(=O)c3c[n+](CC(=O)OCC)ccc32)c1 ZINC000064417121 JJ Annotated Mild CCCCCCCCCCCCOc1cccc([C@]2(O)NC(=O)c3c[n+](CC(=O)OCC)ccc32)c1 ZINC000064417124 JJ Annotated Mild O=C(CN1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1)NCc1ccc(F)cc1 ZINC000064426428 JJ Annotated Mild Nc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2F)c2cc(F)c(O)c(F)c2)cc1 ZINC000064436977 JJ Annotated Anodyne CCN(CC)CCNCc1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447103 JJ Annotated Anodyne Cc1cc(NS(=O)(=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)cc1Cl ZINC000064448178 JJ Annotated Bother COc1ccc2[nH]c(Sc3ccc4c(c3)[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(N)O4)nc2c1 ZINC000064448203 JJ Annotated Reactive COc1ccc2[nH]c(Sc3ccc4c(c3)[C@@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(N)O4)nc2c1 ZINC000064448205 JJ Annotated Reactive CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=NC3=C(CN(CC)C/C3=C\c3ccc(C)cc3)CN12 ZINC000064448463 JJ Annotated Anodyne Clc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 ZINC000064448652 JJ Annotated Anodyne C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000064469035 JJ Annotated Anodyne O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)[C@@H]1CCNC1 ZINC000064485704 JJ Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)[C@H]1CCNC1 ZINC000064485705 JJ Annotated Mild Cc1ccc(S(=O)(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064499109 JJ Annotated Mild Oc1cc(Br)c(COCc2cc(O)c(O)c(Br)c2Br)cc1O ZINC000064503467 JJ Annotated Clean COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc(OC)c1OC ZINC000064503827 JJ Annotated Clean CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000064503835 JJ Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000064503836 JJ Annotated Anodyne O=C(Nc1cccc(I)c1)Nc1cccn(Cc2ccccc2Cl)c1=O ZINC000064504050 JJ Annotated Anodyne O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)[C@@H]1CCNC1 ZINC000064510498 JJ Annotated Mild O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)[C@H]1CCNC1 ZINC000064510500 JJ Annotated Mild COc1ccc([C@@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000064510604 JJ Annotated Anodyne COc1ccc([C@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)C23C(=O)OC(C)(C)OC3=O)cc1 ZINC000064510605 JJ Annotated Anodyne Oc1cc(Br)c(CCc2cc(O)c(O)c(Br)c2Br)cc1O ZINC000064512662 JJ Annotated Clean in-vivo O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12 ZINC000064512741 JJ Annotated Anodyne COc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1 ZINC000064512751 JJ Annotated Anodyne CC(C)c1n[nH]c(C(F)(F)F)c1-c1ccnc(Nc2ccc(N3CCC(N(C)C)CC3)cn2)n1 ZINC000064513936 JJ Annotated Anodyne Cc1ccc(CS(=O)(=O)/C(=C/c2c(O)cc(O)cc2O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064521173 JJ Annotated Mild CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1cccs1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000064521343 JJ Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1cccs1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000064521345 JJ Annotated Anodyne C[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@@H]2[C@]1(C)O ZINC000064526883 JJ Annotated Anodyne C/C(NNC(=S)N1CCCc2cc(C(=O)O)ccc21)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 ZINC000064526906 JJ Annotated Anodyne CCCCCC1(CCCCC)O[C@H]2C=C(CO)[C@]3(O)[C@@H]4OC(C)(C)O[C@@]45CCC[C@@H]4[C@@H]1[C@@H]2[C@@]453 ZINC000064527502 JJ Annotated Anodyne Cc1cccc(-c2ccccc2)c1Nc1nc(NCc2ccc3c(c2)OCCCO3)[nH]c(=O)n1 ZINC000064527690 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)/C(=C/c2c(O)cc(O)cc2O)C(=O)c2ccc(Br)cc2)cc1 ZINC000064527696 JJ Annotated Mild N#Cc1cccc(/C(O)=N/c2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccc(F)cc2)c1 ZINC000064527855 JJ Annotated Mild COc1ccc(Cn2c(/N=C(\O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)cc1 ZINC000064527905 JJ Annotated Mild CC(C)(Nc1nc(=O)nc(Nc2c(F)cccc2-c2ccccc2)[nH]1)c1ccc2c(c1)OCO2 ZINC000064527919 JJ Annotated Anodyne C[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@@H]2[C@]1(C)O ZINC000064527991 JJ Annotated Anodyne COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1OC ZINC000064528453 JJ Annotated Clean Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)C23C(=O)OC(C)(C)OC3=O)o1 ZINC000064531871 JJ Annotated Anodyne Cc1ccc([C@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)C23C(=O)OC(C)(C)OC3=O)o1 ZINC000064531874 JJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2CCCO)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000064532183 JJ Annotated Anodyne CN(C)c1ccc(/C=C(\C(=O)c2ccc(C(=O)O)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000064532199 JJ Annotated Mild COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)c(OC)c1OC ZINC000064539068 JJ Annotated Clean C[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]34C)[C@@H]2[C@]1(C)O ZINC000064539348 JJ Annotated Anodyne C/C(NNC(=S)N1CCc2cc(C(=O)O)ccc21)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000064539515 JJ Annotated Anodyne C/C(NNC(=S)N1CCc2cc(C(=O)O)ccc21)=C1/C(=O)N(c2ccc(C)cc2)c2ccccc21 ZINC000064539516 JJ Annotated Anodyne CC1(C)CCc2c(-c3ccoc3)nc3sc4c(NCCN5CCOCC5)ncnc4c3c2C1 ZINC000064540242 JJ Annotated Anodyne CNc1ncnc2c(CNc3cc(NC(=O)c4cc(=O)c5ccccc5o4)ccc3C)cccc12 ZINC000064541085 JJ Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000064548382 JJ Annotated Mild O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000064548703 JJ Annotated Clean CCOC(=O)C1=C(C)N[C@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000064548912 JJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000064548913 JJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000064548914 JJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000064548915 JJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)nc1 ZINC000064549098 JJ Annotated Anodyne CCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064549417 JJ Annotated Mild CCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064549418 JJ Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)c1 ZINC000064549699 JJ Annotated Reactive COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)c1 ZINC000064549700 JJ Annotated Reactive COc1c(F)c(F)cc2c(=O)c(-c3nnc(S)n3-c3ccc(Cl)cc3)cn(C3CC3)c12 ZINC000064549812 JJ Annotated Anodyne CO/N=C1/c2ccc(OCCCc3ccccc3)cc2[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2[C@@H]1O ZINC000064549931 JJ Annotated Mild CO/N=C1/c2ccc(OCCCc3ccccc3)cc2[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2[C@H]1O ZINC000064549932 JJ Annotated Mild O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000064549933 JJ Annotated Clean COc1ccc(Nc2nnc(-c3cn(C4CC4)c4c(OC)c(F)c(F)cc4c3=O)s2)cc1 ZINC000064559171 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559394 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559395 JJ Annotated Anodyne Cc1c(C(=O)NCCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)oc2ccccc12 ZINC000064559463 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000064559997 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccccc12 ZINC000064560001 JJ Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000064560385 JJ Annotated Clean COc1cc(C(=O)c2ccc(-c3csc(C(C)C)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064564494 JJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000064573495 JJ Annotated Reactive COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000064573497 JJ Annotated Reactive COc1ccc(OC[C@@H]2CN3[C@H](c4ccc(Br)cc4)[C@H](C)CC[C@@H]3C(=O)O2)cc1 ZINC000064576372 JJ Annotated Anodyne COc1ccc(OC[C@@H]2CN3[C@H](c4ccc(Br)cc4)[C@@H](C)CC[C@@H]3C(=O)O2)cc1 ZINC000064576373 JJ Annotated Anodyne C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000064624313 JJ Annotated Anodyne in-vitro CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)O[C@@H](C)[C@H]1O ZINC000064691692 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1 ZINC000064696317 JJ Annotated Anodyne CCN(CC)c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000006512262 JJ Annotated Mild Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccco3)cc12 ZINC000006552378 JJ Annotated Anodyne COc1ccc2ncc(Cl)c(N3CCC(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000006716190 JJ Annotated Anodyne CC(=O)Nc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1 ZINC000006717762 JJ Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3F)cc21 ZINC000006718464 JJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653663063 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc4c(ccn4C)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663519 JJ Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4cncc(Cl)c4nc3NC3CC3)CC2)c1 ZINC000653663534 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663549 JJ Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653663550 JJ Annotated Anodyne CC(=O)n1nc(N2C[C@H]3C[C@H]2C[C@H]3OCCN2CCCC2)c2c(-c3ccccc3)csc21 ZINC000653663963 JJ Annotated Anodyne CC(=O)n1nc(N2C[C@H]3C[C@H]2C[C@@H]3OCCN2CCCC2)c2c(-c3ccccc3)csc21 ZINC000653663964 JJ Annotated Anodyne CC(=O)n1nc(N2C[C@H]3C[C@H]2C[C@@H]3OCCN2CCCC2)c2c(-c3ccc(F)cc3)csc21 ZINC000653663967 JJ Annotated Anodyne CC(=O)n1nc(N2C[C@H]3C[C@H]2C[C@H]3OCCN2CCCC2)c2c(-c3ccc(F)cc3)csc21 ZINC000653663968 JJ Annotated Anodyne N#Cc1cc(Cl)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1 ZINC000653664388 JJ Annotated Mild COc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664887 JJ Annotated Anodyne COc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664888 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3cccc4cnccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653665225 JJ Annotated Anodyne COc1cc(OCc2csc(N3CCO[C@@H](C)C3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665243 JJ Annotated Anodyne COc1cc(OCc2csc(N3CCO[C@H](C)C3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665244 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc4ccccc4n3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653665246 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccnc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653666158 JJ Annotated Anodyne CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1C ZINC000653666689 JJ Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653666929 JJ Annotated Anodyne CCOC(=O)c1nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc2n1 ZINC000653667426 JJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccc(NC3CC3)nn2)cc1 ZINC000653667730 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3cc4ccccc4[nH]3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653669347 JJ Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4[nH]ccc34)cc2CC[C@@H]1c1cccnc1 ZINC000653669533 JJ Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4[nH]ccc34)cc2CC[C@H]1c1cccnc1 ZINC000653669534 JJ Annotated Anodyne Cc1cnc(C)c(-c2ccc3c(c2)CC[C@@H](c2cccnc2)N3C(=O)c2ccc(O)cc2O)n1 ZINC000653671222 JJ Annotated Anodyne Cc1cnc(C)c(-c2ccc3c(c2)CC[C@H](c2cccnc2)N3C(=O)c2ccc(O)cc2O)n1 ZINC000653671223 JJ Annotated Anodyne CC1(O)CCC(C2(O)CCN(C(=O)c3ccc(NSc4cccc5nccnc45)cc3)CC2)CC1 ZINC000653671226 JJ Annotated Anodyne COC(=O)C1=CNC(C[C@H](CC=O)c2ccc(F)cc2)=C[C@@H]1c1ccc(N(C)C)cc1Cl ZINC000653671233 JJ Annotated Mild COC(=O)C1=CNC(C[C@H](CC=O)c2ccc(F)cc2)=C[C@H]1c1ccc(N(C)C)cc1Cl ZINC000653671234 JJ Annotated Mild COC(=O)C1=CNC(C[C@@H](CC=O)c2ccc(F)cc2)=C[C@@H]1c1ccc(N(C)C)cc1Cl ZINC000653671235 JJ Annotated Mild COC(=O)C1=CNC(C[C@@H](CC=O)c2ccc(F)cc2)=C[C@H]1c1ccc(N(C)C)cc1Cl ZINC000653671236 JJ Annotated Mild c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(CN3CCCC3)cc2)n1 ZINC000653671264 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCS(C)(=O)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653673704 JJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCS(C)(=O)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653673705 JJ Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CN2C(=O)Cc3cccnc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000653676029 JJ Annotated Anodyne COc1ccc2c(c1)N(C[C@@H]1CC[C@@H](NC(=O)c3cc(Cl)cnc3C)CC1)C(=O)C2(C)C ZINC000653676828 JJ Annotated Anodyne COCCNc1nc(COc2cc(OC)cc3oc(-c4cn5nc(C)ccc5n4)cc23)cs1 ZINC000653677650 JJ Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](Cn2c(=O)n(CC(C)C)c3ccccc32)CC1 ZINC000653678259 JJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(Cl)nc3c2COCC3)cc1 ZINC000653678269 JJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1 ZINC000653678292 JJ Annotated Anodyne COC1C[C@@H]2CC[C@H](C1)N2c1nc(O[C@@H]2C[C@H]3C[C@H]2CN3)nc2scc(-c3ccccc3)c12 ZINC000653679390 JJ Annotated Anodyne COC1C[C@@H]2CC[C@H](C1)N2c1nc(O[C@H]2C[C@H]3C[C@H]2CN3)nc2scc(-c3ccccc3)c12 ZINC000653679391 JJ Annotated Anodyne COc1cc(OCc2csc(N3CCCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679924 JJ Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3cc4ccccc4[nH]3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683846 JJ Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3nc4ccccc4s3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683858 JJ Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3nc4ccccc4s3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683859 JJ Annotated Anodyne COc1cc(OCc2csc(N(C)CCC#N)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653684258 JJ Annotated Mild CCc1nccnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653685371 JJ Annotated Anodyne CCc1nccnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653685372 JJ Annotated Anodyne COCC1C[C@@H]2CC[C@H](C1)N2c1nc(O[C@H]2C[C@H]3C[C@H]2CN3)nc2scc(-c3ccccc3)c12 ZINC000653686474 JJ Annotated Anodyne COCC1C[C@@H]2CC[C@H](C1)N2c1nc(O[C@@H]2C[C@H]3C[C@H]2CN3)nc2scc(-c3ccccc3)c12 ZINC000653686475 JJ Annotated Anodyne COc1ccc(C(=O)NCCN(C)C)cc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1 ZINC000653686893 JJ Annotated Anodyne O=C(C[C@H](c1ccccc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653687618 JJ Annotated Anodyne O=C(C[C@@H](c1ccccc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653687621 JJ Annotated Anodyne O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc(SC(F)(F)F)cc3)[C@@H]12 ZINC000653687638 JJ Annotated Bother CCOc1ccc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)cc1C(F)(F)F ZINC000653687653 JJ Annotated Bother O=C(C[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653688031 JJ Annotated Anodyne O=C(C[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653688035 JJ Annotated Anodyne O=C(C[C@H](c1ccccc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000653688067 JJ Annotated Anodyne O=C(C[C@@H](c1ccccc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000653688068 JJ Annotated Anodyne COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(Cl)c(Cl)c1 ZINC000653689436 JJ Annotated Bother Cc1nc(NC(=O)c2cc(CNC(=O)C(C)C)cnc2C(F)F)[nH]c1-c1ccc(Cl)cc1 ZINC000653691076 JJ Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000653692824 JJ Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2-c1ccncc1 ZINC000653694227 JJ Annotated Anodyne CC(C)(C)c1ccc2oc(=O)cc(C[n+]3cn(Cn4nnc5ccccc54)c4ccccc43)c2c1 ZINC000653696866 JJ Annotated Anodyne CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696904 JJ Annotated Anodyne CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696905 JJ Annotated Anodyne CCCCOC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NCc1ccc(OC)cc1 ZINC000653697104 JJ Annotated Bother C[C@H]1CN=C2N(C)C(=O)c3c(nn(Cc4ccc(-c5ccccc5)cc4)c3Nc3ccccc3)N21 ZINC000653697709 JJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1cccs1 ZINC000653697825 JJ Annotated Reactive C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(CNC13CC4CC(CC(C4)C1)C3)=C2CCC1=CCOC1=O ZINC000653697848 JJ Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2CCCN=C12 ZINC000653699413 JJ Annotated Anodyne CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl ZINC000653700743 JJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccnc(Cl)c1 ZINC000653700815 JJ Annotated Reactive O=C1NC2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(C(F)(F)F)cc3)c(Nc3ccccc3)c21 ZINC000653701682 JJ Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)N1C[C@H]2C[C@H]1CN2CCOc1ccccc1-c1ccccc1 ZINC000653703187 JJ Annotated Anodyne Cn1cc(-c2ccc(COc3ccccc3-c3ccn([C@H]4CCCC[C@@H]4O)c(=O)c3)cc2)cn1 ZINC000653703210 JJ Annotated Anodyne Cc1ccc(-c2cs/c(=N\N=C\CN3C(=O)c4ccccc4C3=O)n2-c2ccccc2)cc1 ZINC000653704242 JJ Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000653704650 JJ Annotated Mild COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)N/N=C/c1ccc[nH]1 ZINC000653705973 JJ Annotated Reactive COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)N/N=C/c1ccco1 ZINC000653706054 JJ Annotated Reactive O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(C(F)(F)F)c3)O2)n1 ZINC000653706703 JJ Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2-c1cccnc1 ZINC000653707173 JJ Annotated Anodyne COc1ccc(Cc2nc(S[C@@H]3C=CCCC3)nc(O)c2I)cc1OC ZINC000653707424 JJ Annotated Anodyne COc1ccc(Cc2nc(S[C@H]3C=CCCC3)nc(O)c2I)cc1OC ZINC000653707425 JJ Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCOCC1 ZINC000653708649 JJ Annotated Anodyne COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccc(SC(F)(F)F)cc4)CC3)oc2c1 ZINC000653708748 JJ Annotated Anodyne Cc1cc(C)c(Oc2cc(NCCN3CCNCC3)nc(Nc3ccc(C#N)cc3)c2)c(C)c1 ZINC000653708781 JJ Annotated Mild COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(SC)cc2)cc(OC)c1OC ZINC000653710176 JJ Annotated Anodyne COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCN=C3c2ccccc2)ccc1-n1cnc(Cl)c1 ZINC000653713213 JJ Annotated Anodyne CNc1nc(Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)nc2c1C=CCN=C2c1ccccc1 ZINC000653713230 JJ Annotated Anodyne COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCN[C@@H]3c2ccccc2)ccc1-n1cnc(Cl)c1 ZINC000653713241 JJ Annotated Anodyne COc1cc(Nc2nc3c(c(N(C)C)n2)C=CCN[C@H]3c2ccccc2)ccc1-n1cnc(Cl)c1 ZINC000653713242 JJ Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@H]1CC(=O)c1ccccc1 ZINC000653716235 JJ Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc2[C@@H]1CC(=O)c1ccccc1 ZINC000653716236 JJ Annotated Anodyne O=C(C[C@@H](c1cccs1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653716375 JJ Annotated Anodyne O=C(C[C@H](c1cccs1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653716376 JJ Annotated Anodyne COc1cccc(Cc2nnc(O)c(Br)c2-c2cc(Br)ccc2OC)c1 ZINC000653717854 JJ Annotated Anodyne Cc1c(O)nc(N(C)Cc2ccc(N3CCNCC3)cc2)nc1[C@@H](C)c1c(Cl)cccc1Cl ZINC000653718327 JJ Annotated Clean Cc1c(O)nc(N(C)Cc2ccc(N3CCNCC3)cc2)nc1[C@H](C)c1c(Cl)cccc1Cl ZINC000653718328 JJ Annotated Clean CC(=O)N1C[C@H](C(=O)Nc2ccc(C)cc2C)[C@@H](c2nnc([C@@H]3C[C@H](CC(C)C)C3)n2C2CC2)C1 ZINC000653719103 JJ Annotated Anodyne COc1ccc(/C=C2\CNC/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC ZINC000653720297 JJ Annotated Mild CCCOCCNC1=C2C[C@@H](c3c(Cl)cccc3Cl)C(=O)N=C2NC(=Nc2ccccc2)N1 ZINC000653721508 JJ Annotated Mild CCCOCCNC1=C2C[C@H](c3c(Cl)cccc3Cl)C(=O)N=C2NC(=Nc2ccccc2)N1 ZINC000653721509 JJ Annotated Mild Cc1cccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c(Cl)nc12 ZINC000653721912 JJ Annotated Mild Cc1cccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c(Cl)nc12 ZINC000653721913 JJ Annotated Mild COc1ccc(C2=NO[C@H](c3cccc(Cl)c3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721917 JJ Annotated Anodyne COc1ccc(C2=NO[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721918 JJ Annotated Anodyne COc1ccc(C2=NO[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721919 JJ Annotated Anodyne COc1ccc(C2=NO[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653721920 JJ Annotated Anodyne COc1cccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)c1 ZINC000653721936 JJ Annotated Bother Cc1ccc2nc(Cl)c([C@@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)cc2c1 ZINC000653721938 JJ Annotated Mild Cc1ccc2nc(Cl)c([C@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)cc2c1 ZINC000653721939 JJ Annotated Mild Cc1ccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c(Cl)nc2c1 ZINC000653721950 JJ Annotated Mild Cc1ccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c(Cl)nc2c1 ZINC000653721951 JJ Annotated Mild CC1(C)CC(=O)C2=C(C1)n1c(=O)c3ccccc3c(=O)n1[C@@H]2c1cc2ccccc2nc1Cl ZINC000653721969 JJ Annotated Mild CC1(C)CC(=O)C2=C(C1)n1c(=O)c3ccccc3c(=O)n1[C@H]2c1cc2ccccc2nc1Cl ZINC000653721970 JJ Annotated Mild CNC[C@@H](CO)N1CCN(CCC(c2ccccc2)c2ccccc2)[C@H](CC2CCCCC2)C1 ZINC000653722501 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653724757 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653724758 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653724759 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653724760 JJ Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@]23C[C@]4(C(=O)O[C@]56C[C@H]4CC[C@H](C)[C@@H]5CC[C@]6(C)O)[C@@H](C(C)=C2C1)[C@@H]3O ZINC000653726127 JJ Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@H](C)C2=C[C@@H]3[C@@]4(C[C@@]2(C1)[C@@]3(C)O)C(=O)O[C@]12C[C@H]4CC[C@H](C)[C@@H]1CC[C@]2(C)O ZINC000653726146 JJ Annotated Mild COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653726378 JJ Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653726379 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653726380 JJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)c2ccc(O)c(C(=O)O)c2)cc1 ZINC000653726381 JJ Annotated Anodyne COC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(OC(C)C)cc2)c2ccccc2c1O ZINC000653727882 JJ Annotated Anodyne CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000653729544 JJ Annotated Bother CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000653729550 JJ Annotated Bother O=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000653729598 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 ZINC000653730469 JJ Annotated Bother COc1ccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 ZINC000653732485 JJ Annotated Bother CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12 ZINC000653733719 JJ Annotated Anodyne COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2cc(OC)cc(OC)c2)c1 ZINC000653733802 JJ Annotated Anodyne Cn1ccc(Nc2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)n1 ZINC000653737631 JJ Annotated Anodyne CCOC(=O)[C@H](COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1 ZINC000653737725 JJ Annotated Anodyne CCOC(=O)[C@@H](COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1 ZINC000653737726 JJ Annotated Anodyne O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2nncs2)cc1 ZINC000653739102 JJ Annotated Anodyne Cc1c(O)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000653739135 JJ Annotated Clean Cc1c(O)nc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000653739186 JJ Annotated Clean COc1ccc(Cl)cc1-c1c(Cc2cccc([N+](=O)[O-])c2)nnc(O)c1Br ZINC000653739721 JJ Annotated Bother COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Cl)CC(=O)N2Cc2ccccc2)ccc1O ZINC000653740418 JJ Annotated Bother CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(OC)cc1 ZINC000653740474 JJ Annotated Anodyne CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(OC)cc1 ZINC000653740475 JJ Annotated Anodyne CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000653740500 JJ Annotated Anodyne CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000653740501 JJ Annotated Anodyne Cc1nc(N(C)c2ccc(OCCN3CCN(Cc4ccccc4C#N)CC3)cc2)c2ccccc2n1 ZINC000653740678 JJ Annotated Mild Oc1ncnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)c(Cl)c5)CC4)cn3)nccc12 ZINC000653742635 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1Cl ZINC000653742704 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1Cl ZINC000653742705 JJ Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(C)=O)[C@H]4NC(C)=O ZINC000653745001 JJ Annotated Anodyne CC1=NN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H](c2cc(Br)ccc2O)C1 ZINC000653745826 JJ Annotated Clean CC1=NN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@@H](c2cc(Br)ccc2O)C1 ZINC000653745828 JJ Annotated Clean C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1 ZINC000653746580 JJ Annotated Reactive COCCSCCC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000653747385 JJ Annotated Mild Cc1nc(N[C@H](C)c2cccc(OCC(=O)N3CCOCC3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653748736 JJ Annotated Anodyne Cc1cnc(N(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653748767 JJ Annotated Anodyne O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@@H]1CC[C@@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000653749323 JJ Annotated Bother COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(OC)C4)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653749358 JJ Annotated Anodyne CCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1 ZINC000653749414 JJ Annotated Anodyne Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653753964 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCS(C)(=O)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653754921 JJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCS(C)(=O)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653754922 JJ Annotated Anodyne CC#CCNS(=O)(=O)c1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000653758372 JJ Annotated Mild CC#CCNS(=O)(=O)c1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000653758373 JJ Annotated Mild COc1ccc(NC(=O)C2CCN(C(=O)[C@H](C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000653759950 JJ Annotated Bother COc1ccc(NC(=O)C2CCN(C(=O)[C@@H](C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000653759951 JJ Annotated Bother CN1CCN(c2ccc3nc(-c4cccc(-c5cccs5)c4)c(-c4ccncc4)n3n2)CC1 ZINC000653760677 JJ Annotated Anodyne CN1CCN(c2ccc3nc(-c4cccc(-c5ccsc5)c4)c(-c4ccncc4)n3n2)CC1 ZINC000653760715 JJ Annotated Anodyne CNc1nnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc12 ZINC000653762242 JJ Annotated Anodyne OC1C[C@@H]2CC[C@H](C1)N2c1nc(N2[C@H]3CC[C@H]2COC3)c2c(-c3ccccc3Cl)csc2n1 ZINC000653762246 JJ Annotated Anodyne Clc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3COC4)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653762250 JJ Annotated Anodyne N[C@H](CN=c1nc(-c2ccncc2)[nH]c2c(-c3ccc(F)cc3)csc12)Cc1ccccc1 ZINC000653762400 JJ Annotated Anodyne CN1CCN(c2ccc3nc(-c4ccc(-c5ccccc5)s4)c(-c4ccncc4)n3n2)CC1 ZINC000653762401 JJ Annotated Anodyne Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4CCC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653762958 JJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1CN(NC(=O)c1ccncc1)C(=O)Nc1ccc(Cl)cc1 ZINC000653762971 JJ Annotated Reactive COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1F ZINC000653763002 JJ Annotated Anodyne Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4OCC[C@@H]4O)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653764353 JJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccc(-n3ccnc3)nn2)cc1 ZINC000653765621 JJ Annotated Anodyne CC(=O)N(C(C)=O)c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000653766923 JJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N3CCOCC3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653767426 JJ Annotated Anodyne O=c1cc(Cn2cc(COc3ccc(Br)cc3)nn2)c2c(ccc3ccccc32)o1 ZINC000653767943 JJ Annotated Bother CN(Cc1cccs1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768318 JJ Annotated Anodyne CCc1nn2c(-c3ccc(OC)c(OC)c3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653769995 JJ Annotated Anodyne CCc1nn2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653770013 JJ Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(CNC13CC4CC(CC(C4)C1)C3)[C@H]2CCC1=CCOC1=O ZINC000653771304 JJ Annotated Anodyne Cc1cc(-c2nnc(-c3cc(F)c(O[C@@H]4CCC(=O)NC4)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653771334 JJ Annotated Anodyne Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC#N ZINC000653771390 JJ Annotated Mild Cc1cn(-c2ccc(-c3ccc(N(Cc4ccccc4)C(=O)c4ccc(O)cc4O)cc3)nn2)cn1 ZINC000653773145 JJ Annotated Anodyne Cc1nccn1-c1ccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nn1 ZINC000653773163 JJ Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 ZINC000653774466 JJ Annotated Reactive O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 ZINC000653774469 JJ Annotated Reactive O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1 ZINC000653774523 JJ Annotated Reactive Cc1cc(-c2nnc(-c3cc(F)c(O[C@H]4CCC(=O)NC4)cc3Cl)s2)cc(NC(C)C)n1 ZINC000653774559 JJ Annotated Anodyne CCc1ccc(C(C)(C)c2[nH]c3cc(C#N)ccc3c2C(=O)O)cc1-c1cnn(CC(=O)N(C)C)c1 ZINC000653775414 JJ Annotated Mild Cc1cc(S(=O)(=O)N2[C@H](CNCC(F)(F)F)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000653775528 JJ Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000653776567 JJ Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3COC4)nc(N3[C@H]4CC[C@H]3CC(OC)C4)c12 ZINC000653778055 JJ Annotated Anodyne Cc1ccc(Cn2cc(-n3c(S)nnc3-c3ccc(Cn4cc(Cl)cn4)cc3)cn2)cc1 ZINC000653778473 JJ Annotated Anodyne CCCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653785860 JJ Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653785907 JJ Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653785908 JJ Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653785909 JJ Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653785910 JJ Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c3ccccc32)cc1 ZINC000653785934 JJ Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c3ccccc32)cc1 ZINC000653785935 JJ Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c3ccccc32)cc1 ZINC000653785936 JJ Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c3ccccc32)cc1 ZINC000653785937 JJ Annotated Anodyne CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCCCC5)nc4)s3)n[nH]c12 ZINC000653786057 JJ Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc3sccc32)cc1 ZINC000653786070 JJ Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c2C)cc1 ZINC000653790465 JJ Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c2C)cc1 ZINC000653790466 JJ Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c2C)cc1 ZINC000653790467 JJ Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c2C)cc1 ZINC000653790469 JJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNCCc4ccc(Cl)cc4)c3O)O2)cc1O ZINC000653792857 JJ Annotated Clean CC(C)(C)c1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653795635 JJ Annotated Bother COc1cc(F)c(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c(F)c1 ZINC000653796400 JJ Annotated Clean Cc1nc2cc(Nc3nc(NCCN)nc(Nc4ccc(F)cc4)n3)ccc2n1Cc1ccccc1 ZINC000653796675 JJ Annotated Anodyne Cc1nc2ccc(Nc3nc(NCCN)nc(Nc4ccc(F)cc4)n3)cc2n1Cc1ccccc1 ZINC000653801589 JJ Annotated Anodyne Cc1nc2ccc(Nc3nc(NCCO)nc(Nc4ccc(F)cc4)n3)cc2n1Cc1ccccc1 ZINC000653801591 JJ Annotated Anodyne c1cc(C2=NCCCCN2)ccc1OCCCCCCOc1ccc(C2=NCCCCN2)cc1 ZINC000653802010 JJ Annotated Anodyne c1cc(C2=NCCCN2)ccc1OCCCCCCCCOc1ccc(C2=NCCCN2)cc1 ZINC000653802037 JJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3cc4ccccn4n3)nc(Cl)c2C)s1 ZINC000653803247 JJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3cc4ccccn4n3)nc(Cl)c2C)s1 ZINC000653803248 JJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3cc4ccccn4n3)nc(Cl)c2C)s1 ZINC000653803249 JJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3cc4ccccn4n3)nc(Cl)c2C)s1 ZINC000653803250 JJ Annotated Anodyne Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccc(N)cc4C3=O)ccc2N2CCCCC2)cc1 ZINC000653803319 JJ Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCN ZINC000653806247 JJ Annotated Mild CC(=O)NCCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Br)c(C(C)C)cc21 ZINC000653806324 JJ Annotated Mild CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(C(F)(F)F)c3s2)CC1 ZINC000653807605 JJ Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(C(F)(F)F)c3s2)CC1 ZINC000653807606 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653812700 JJ Annotated Mild Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12 ZINC000653816429 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(C3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821639 JJ Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(C3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821640 JJ Annotated Anodyne COC(=O)c1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(OC)cc(CCC#N)cc1OC ZINC000653821673 JJ Annotated Mild CCCNC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)oc12 ZINC000653821687 JJ Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccc(Br)c1 ZINC000653822705 JJ Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1ccc(Br)cc1 ZINC000653823183 JJ Annotated Anodyne CCCNC(=O)c1cccc2oc(-c3cc(Br)nn3-c3ncccc3Cl)nc12 ZINC000653823217 JJ Annotated Anodyne CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)cn(S(C)(=O)=O)c2cc1OCC ZINC000653823265 JJ Annotated Mild Cc1ccc(NC(=O)c2cnc3ccccc3c2)cc1OC1CCN(C(=O)c2cccnc2)CC1 ZINC000653825859 JJ Annotated Anodyne CO/N=C(\F)c1cc(/C(=C\CCCN2CCOC2=O)c2ccc(C#N)cc2)cc(C)c1OC ZINC000653825861 JJ Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCN2CCOC2=O)c2cccc(C#N)c2)cc(C)c1OC ZINC000653825917 JJ Annotated Mild C=CC(=O)N1CCC(Nc2ncnc(NC(C)C)c2C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000653827904 JJ Annotated Anodyne CNC(=O)c1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(OC)cc(CCC#N)cc1OC ZINC000653827948 JJ Annotated Mild CN1C(=C2C(=N\Nc3ccccn3)\c3ccccc3N\2C)/C(=N/Nc2ccccn2)c2ccccc21 ZINC000653829392 JJ Annotated Mild C=CC(=O)N1CCC[C@@H](Nc2ncnc(NCC)c2C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000653833252 JJ Annotated Anodyne CC(=O)n1cc(-c2c(C)n(C(=O)c3ccccc3)n(C(=O)c3ccccc3)c2=O)c2ccccc21 ZINC000653834943 JJ Annotated Anodyne CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc3)oc12 ZINC000653834960 JJ Annotated Bother CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccc(O)cc4O)cc3)oc12 ZINC000653834999 JJ Annotated Anodyne C[C@H]1Cc2c(ncnc2Oc2ccc3ccn(C(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c3c2)CN1 ZINC000653835836 JJ Annotated Anodyne O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 ZINC000653837598 JJ Annotated Clean CCOC(=O)C1CCN(c2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2)CC1 ZINC000653837740 JJ Annotated Anodyne CC(C)OC(=O)c1c(/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccccc2)sc2c1CCCC2 ZINC000653837779 JJ Annotated Mild CC(C)OC(=O)c1c(/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)sc2c1CCCC2 ZINC000653837785 JJ Annotated Mild C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@]13[C@H]2CC1=C2[C@@H]3/C(=C(\C)C(=O)OC)C(=O)C[C@@]2(C)[C@@H]2C[C@H]12 ZINC000653838519 JJ Annotated Mild Cc1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653842147 JJ Annotated Anodyne COc1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653842170 JJ Annotated Anodyne C#CCNC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000653842852 JJ Annotated Mild COc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)cn1 ZINC000653843972 JJ Annotated Anodyne Cc1ccc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)nc1 ZINC000653843977 JJ Annotated Anodyne COCCN1CCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2 ZINC000653844327 JJ Annotated Anodyne COc1cncc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653845101 JJ Annotated Anodyne CCCCCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000653845367 JJ Annotated Anodyne Cc1cncc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653845388 JJ Annotated Anodyne Cc1cccc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)n1 ZINC000653845424 JJ Annotated Anodyne Cc1cc(C(=O)N[C@@H](CNCc2cc(C)c(OCC(F)(F)F)cc2C)c2ccccc2)no1 ZINC000653846204 JJ Annotated Anodyne Cc1cc(C(=O)N[C@H](CNCc2cc(C)c(OCC(F)(F)F)cc2C)c2ccccc2)no1 ZINC000653846205 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccc(C#N)n2)C3=O)cc1 ZINC000653846209 JJ Annotated Mild CCOc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C3CC3)on2)c2ccc(F)cc2)cc1C ZINC000653846301 JJ Annotated Anodyne CCOc1cc(C)c(CNC[C@H](NC(=O)c2cc(C3CC3)on2)c2ccc(F)cc2)cc1C ZINC000653846306 JJ Annotated Anodyne O=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653847491 JJ Annotated Anodyne O=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653847492 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2ccncc2)C3=O)cc1 ZINC000653847501 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cc(C#N)ccn2)C3=O)cc1 ZINC000653848944 JJ Annotated Mild Cc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)nc1 ZINC000653848985 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccccc3Br)cc(O)c21 ZINC000653849071 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccccc3Br)cc(O)c21 ZINC000653849072 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3cccc(Br)c3)cc(O)c21 ZINC000653849075 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3cccc(Br)c3)cc(O)c21 ZINC000653849076 JJ Annotated Clean Cc1cccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)n1 ZINC000653849293 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cncc(C#N)c2)C3=O)cc1 ZINC000653849899 JJ Annotated Mild Cc1cncc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653849929 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2ccc(F)nc2)C3=O)cc1 ZINC000653850175 JJ Annotated Anodyne Cc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)cn1 ZINC000653850177 JJ Annotated Anodyne Cc1ccncc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653850183 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccnc2F)C3=O)cc1 ZINC000653850191 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccnc2)C3=O)cc1 ZINC000653850217 JJ Annotated Anodyne COc1ccncc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653850713 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2ccccn2)C3=O)cc1 ZINC000653850798 JJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2ccncc2)C3=O)cc1 ZINC000653850812 JJ Annotated Anodyne Cc1cnccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653850819 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccc(Br)cc3)cc(O)c21 ZINC000653852925 JJ Annotated Clean O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccc(Br)cc3)cc(O)c21 ZINC000653852926 JJ Annotated Clean Cc1ccncc1CN1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653852931 JJ Annotated Anodyne Cc1ccc(CN2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)cn1 ZINC000653853265 JJ Annotated Anodyne Cn1c(=O)c(-c2ccc(C(C)(C)C)cc2)cc2cnc(N3CCN(c4ccc(F)cc4)CC3)nc21 ZINC000653853391 JJ Annotated Anodyne COc1cccnc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653854445 JJ Annotated Anodyne O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccccc1OC(F)(F)F ZINC000653856987 JJ Annotated Anodyne O=C1/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC(=S)N1c1cccnc1 ZINC000653857013 JJ Annotated Clean O=C1/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC(=S)N1c1cccnc1 ZINC000653857014 JJ Annotated Clean O=C1C(O)=C([C@@H](NCc2ccccc2)c2cc(Br)ccc2O)C(=O)c2ccccc21 ZINC000653857560 JJ Annotated Mild O=C1C(O)=C([C@H](NCc2ccccc2)c2cc(Br)ccc2O)C(=O)c2ccccc21 ZINC000653857561 JJ Annotated Mild O=C(NCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653859556 JJ Annotated Anodyne CCCNC(=O)c1cc(F)c(-c2cc3cnn(C4CCN(C(=O)OC(C)C)CC4)c3cn2)cc1F ZINC000653859623 JJ Annotated Anodyne Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21 ZINC000653861081 JJ Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)c1cc(-c3ccc(Cl)cc3)on1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653861130 JJ Annotated Mild Cn1c(CCCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc21 ZINC000653865334 JJ Annotated Anodyne CCN1CCN(C(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)CC1 ZINC000653866600 JJ Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)c(Cl)c1 ZINC000653867732 JJ Annotated Anodyne CCCCc1nc(/C=N/N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c(Cl)[nH]1 ZINC000653869530 JJ Annotated Mild O=c1c(-c2ccccc2[N+](=O)[O-])coc2c1c(O)cc1occ(-c3ccccc3[N+](=O)[O-])c(=O)c12 ZINC000653870660 JJ Annotated Bother COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCC(C(C)(C)C)CC3)cc1 ZINC000653873017 JJ Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C(F)(F)F ZINC000653878739 JJ Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1cc(-c3ccc(Cl)cc3)on1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653882227 JJ Annotated Mild O=c1c(-c2ccccc2[N+](=O)[O-])coc2cc3occ(-c4ccccc4[N+](=O)[O-])c(=O)c3c(O)c12 ZINC000653882302 JJ Annotated Bother Cn1nccc1-c1oc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1Br ZINC000653883174 JJ Annotated Anodyne C/C(=C\C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653886906 JJ Annotated Mild C/C(=C\C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653886907 JJ Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@]1(C)O[C@H](C(C)(C)O)C[C@H]1O ZINC000653886942 JJ Annotated Mild C/C(=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653887033 JJ Annotated Mild C/C(=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000653887035 JJ Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000653887161 JJ Annotated Anodyne CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)[C@@H](c3ccccc3)C2)c1 ZINC000653887480 JJ Annotated Anodyne CS(=O)(=O)c1cccc(N2CCN(Cc3ccc(C(F)(F)F)nc3)[C@H](c3ccccc3)C2)c1 ZINC000653887481 JJ Annotated Anodyne OCCN1CCN(C[C@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccccc3)nn2)CC1 ZINC000653887970 JJ Annotated Anodyne OCCN1CCN(C[C@@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccccc3)nn2)CC1 ZINC000653887974 JJ Annotated Anodyne Cc1ccc(-c2cn([C@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888049 JJ Annotated Anodyne Cc1ccc(-c2cn([C@@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888050 JJ Annotated Anodyne O=c1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccn(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000653889541 JJ Annotated Bother O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653894817 JJ Annotated Bother O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653894818 JJ Annotated Bother COc1cc(-c2nnc3n2CCC[C@]3(Cc2ccc(F)c(F)c2)C(=O)O)ccc1-c1cnc(C)o1 ZINC000653897430 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@]3(Cc2ccc(F)c(F)c2)C(=O)O)ccc1-c1cnc(C)o1 ZINC000653897431 JJ Annotated Anodyne CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cnc(Cl)c4ccccc34)cc12 ZINC000653899244 JJ Annotated Anodyne O=c1ccn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccn(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000653899268 JJ Annotated Bother O=C1c2cccc3c2c(cc2c4cc(Br)ccc4sc32)C(=O)N1CCOCCO ZINC000653903310 JJ Annotated Bother O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653905778 JJ Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C ZINC000653907628 JJ Annotated Anodyne CN(C)CCOc1ncc(Nc2cc(C(F)(F)F)nc3cc(-c4ccc(F)cc4)nn23)cc1F ZINC000653915619 JJ Annotated Anodyne COc1cc(OC(F)F)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccccc2)=CC(=O)C[C@H]1C ZINC000653915945 JJ Annotated Mild COc1cc(OC(F)F)c(Cl)c2c1C(=O)[C@@]1(O2)C(OCc2ccccc2)=CC(=O)C[C@H]1C ZINC000653916012 JJ Annotated Mild O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653916408 JJ Annotated Anodyne Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cccc(C(N)=O)c4)cc3)cccc21 ZINC000653917155 JJ Annotated Anodyne O=C(NN1C(c2ccccc2)=C(c2ccccc2)O[C@]12C(=O)Nc1ccccc12)c1ccccc1O ZINC000653918473 JJ Annotated Anodyne O=C(NN1C(c2ccccc2)=C(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12)c1ccccc1O ZINC000653918475 JJ Annotated Anodyne O=C(Nc1ccncn1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918645 JJ Annotated Anodyne O=C(N=c1cc[nH]cc1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918646 JJ Annotated Anodyne O=C(COc1ccccc1)NN1C(c2ccccc2)=C(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000653918651 JJ Annotated Anodyne O=C(COc1ccccc1)NN1C(c2ccccc2)=C(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000653918652 JJ Annotated Anodyne NC(=O)c1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)cc1 ZINC000653918664 JJ Annotated Anodyne Nc1nc(Nc2ccccc2)[nH]c2nc(=O)c(-c3c(Br)cccc3Br)cc1-2 ZINC000653919273 JJ Annotated Anodyne CC(C)CC1=C(O[C@@]2(CC(C)C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066066042 JJ Annotated Mild CC(C)CC1=C(O[C@]2(CC(C)C)C(=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066066043 JJ Annotated Mild CN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(O)cccc4c3)nc2)CC1 ZINC000066073613 JJ Annotated Anodyne Cc1cc(=O)oc2cc(OCCCCCCn3cncn3)cc(OCCCCCCn3cncn3)c12 ZINC000066073865 JJ Annotated Anodyne CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc(Cl)c2Cl)C(=O)O)cc1 ZINC000066074571 JJ Annotated Anodyne CCN(Cc1cc(C(=O)O)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OCc1ccccc1 ZINC000066075319 JJ Annotated Anodyne CC(C)CC1=C(O[C@@]2(CC(C)C)C(=O)C(=O)C3=C(CCCC3)C2=O)C(=O)C2=C(CCCC2)C1=O ZINC000066076525 JJ Annotated Mild CC(C)CC1=C(O[C@]2(CC(C)C)C(=O)C(=O)C3=C(CCCC3)C2=O)C(=O)C2=C(CCCC2)C1=O ZINC000066076527 JJ Annotated Mild CN1CCN(C(=O)C(CN)(Cc2ccc(C(C)(C)C)cc2)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000066076951 JJ Annotated Anodyne CC(=O)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000066077674 JJ Annotated Anodyne COC(C)(C)CCC[C@@H](O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000066079630 JJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(C#N)cc2)c(C)c1 ZINC000066097730 JJ Annotated Mild COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000066098945 JJ Annotated Bother COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000066098947 JJ Annotated Bother COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)c3nnn[nH]3)c2)n1 ZINC000066101188 JJ Annotated Anodyne CC(C)Oc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C ZINC000066101882 JJ Annotated Anodyne C=CC/N=C1\N[C@H](c2ccc(Br)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000066102027 JJ Annotated Mild O=C1c2ccccc2[C@@](OC/C=C\CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066102848 JJ Annotated Bother O=C1c2ccccc2[C@](OC/C=C\CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066102850 JJ Annotated Bother O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(Cc4ccccc4)n2N3)cc1 ZINC000066102911 JJ Annotated Bother O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(-c4ccc([N+](=O)[O-])cc4)n2N3)cc1 ZINC000066102913 JJ Annotated Bother COc1cc(-c2nnc3n2CCCN3[C@@H](C)c2c(F)cc(F)cc2F)ccc1-n1cnc(C)c1 ZINC000066103788 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@H](C)c2c(F)cc(F)cc2F)ccc1-n1cnc(C)c1 ZINC000066103790 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@@H](C)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000066103792 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@H](C)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000066103794 JJ Annotated Anodyne CN(C)CCNC(=O)C(CN)(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000066104340 JJ Annotated Anodyne CC(C)(C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)(C)N3CCCC3)cc2)cc1)N1CCCC1 ZINC000066105020 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@@H](c2ccc(F)cc2)C2CC2)ccc1-n1cnc(C)c1 ZINC000066111563 JJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@H](c2ccc(F)cc2)C2CC2)ccc1-n1cnc(C)c1 ZINC000066111564 JJ Annotated Anodyne O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1O ZINC000066112754 JJ Annotated Clean COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H](N(C)C(=O)Nc4ccccc4)[C@H]([C@H](C)O)C(=O)N2CC3)cc1 ZINC000066112801 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](c3ccsc3)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000066113877 JJ Annotated Anodyne O=C1c2ccccc2[C@@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114124 JJ Annotated Bother CC(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H](O)[C@@H]1O ZINC000066114395 JJ Annotated Anodyne CCN1C(N(C)CCc2ccc(Br)cc2)=N[C@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000066122821 JJ Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H]2c1ccccc1Br ZINC000066122870 JJ Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]2c1ccccc1Br ZINC000066122872 JJ Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=O)[C@H](NC(=O)c1ccccc1)[C@H]2c1ccccc1Br ZINC000066122873 JJ Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]2c1ccccc1Br ZINC000066122875 JJ Annotated Mild C[C@H](NC(=O)N1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@H](C)C3)c1ccccc1 ZINC000066123416 JJ Annotated Anodyne C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)N[C@H](C)c1ccccc1)CC3 ZINC000066123418 JJ Annotated Anodyne C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)N[C@H](C)c1ccccc1)CC3 ZINC000066123419 JJ Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066123842 JJ Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066123844 JJ Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000066123846 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(OCCC=C[C@@H]3C)c3c(Br)cccc32)cc1 ZINC000066124205 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(OCCC=C[C@H]3C)c3c(Br)cccc32)cc1 ZINC000066124206 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(OCCC=C[C@@H]3C)c3c(Br)cccc32)cc1 ZINC000066124209 JJ Annotated Anodyne COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2nc(C)cs2)cc1Cl ZINC000066128673 JJ Annotated Reactive COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2nc(C)cs2)cc1Cl ZINC000066128675 JJ Annotated Reactive C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066129358 JJ Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066129360 JJ Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066129362 JJ Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N(Cc3ccc(Cl)cc3)C[C@H](O)CN2[C@@H]1c1cccc(Br)c1 ZINC000066129364 JJ Annotated Anodyne CC[C@](C)(C(=O)Nc1ccc(Br)cc1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000066129534 JJ Annotated Anodyne CC(C)=CC[C@@]12C[C@H]3[C@H](O)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000066136601 JJ Annotated Anodyne COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(c4ccc(OC)cc4oc2=O)O3)cc1 ZINC000066136649 JJ Annotated Mild COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000066138938 JJ Annotated Mild CCN(CC)CCCNC1=N[C@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000066139079 JJ Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CC2CC2)N[C@@H]1c1ccc(Br)cc1 ZINC000066139625 JJ Annotated Mild C#CCN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000066156707 JJ Annotated Anodyne C#CCN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066156710 JJ Annotated Mild C#CCN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066156713 JJ Annotated Mild COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(cc(C)n(-c4ccccc4)c2=O)O3)cc1 ZINC000066166742 JJ Annotated Mild COc1cc(CCN2C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(C(C)=O)=C2C)cc(OC)c1OC ZINC000066166884 JJ Annotated Mild CC[C@@](C)(C(=O)Nc1ccc(Br)cc1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000066167028 JJ Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@@H]1O[C@@](c3ccsc3)(Cc3cc(OC)c(OC)cc31)O2 ZINC000066167140 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(CC(C)=C[C@H](C)O3)c3c(Br)cccc32)cc1 ZINC000066167261 JJ Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=C[C@H](C)O3)c3c(Br)cccc32)cc1 ZINC000066167262 JJ Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc(C(F)(F)F)c2)N/C1=N\Cc1ccc(OC)cc1 ZINC000066167377 JJ Annotated Mild CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1C2 ZINC000066251173 JJ Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)cc2)n2c1Cc1ccccc1C2 ZINC000066251175 JJ Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(F)cc2)n2c1Cc1ccccc1C2 ZINC000066251551 JJ Annotated Anodyne COc1cc(C=O)ccc1OC(=O)c1cn(-c2ccccc2)nc1-c1ccc([C@@H]2COCCO2)cc1 ZINC000066251620 JJ Annotated Anodyne COc1cc(C=O)ccc1OC(=O)c1cn(-c2ccccc2)nc1-c1ccc([C@H]2COCCO2)cc1 ZINC000066251621 JJ Annotated Anodyne Cc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@]12Cc1ccccc1C2=O ZINC000066252068 JJ Annotated Bother Cc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccccc43)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000066252307 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(F)c(F)c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066252545 JJ Annotated Anodyne C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(-c3ccccn3)cc2C1)C(F)(F)F ZINC000066252629 JJ Annotated Anodyne CC(C)(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066252647 JJ Annotated Bother O=C1c2ccccc2C[C@]12[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000066258293 JJ Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)N(CC)CC)[C@@H](OC(=O)N(CC)CC)C(C)(C)O3 ZINC000066259060 JJ Annotated Anodyne COc1ccc(C(=O)O[C@H](CC=C(C)C)C2=CC(=O)c3c(OC)ccc(OC)c3C2=O)cc1 ZINC000066259087 JJ Annotated Mild COc1ccccc1C(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000066259088 JJ Annotated Mild CC(C)CN(NC(=O)c1cccc(-c2ccccc2)c1)c1nc(C#N)ncc1Br ZINC000066259118 JJ Annotated Reactive COc1ccc([C@@H]2[C@@H](c3ccc(OC)c(OC)c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259476 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000066259670 JJ Annotated Bother COc1ccc([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259671 JJ Annotated Bother COc1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000066259672 JJ Annotated Bother O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 ZINC000066259689 JJ Annotated Bother Cc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000066259763 JJ Annotated Bother COc1ccc(CC(=O)O[C@H](CC=C(C)C)C2=CC(=O)c3c(OC)ccc(OC)c3C2=O)cc1 ZINC000066259831 JJ Annotated Mild COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000066260115 JJ Annotated Anodyne Cc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccccc32)[C@@]12Cc1ccccc1C2=O ZINC000066260159 JJ Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066262223 JJ Annotated Bother O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066262225 JJ Annotated Bother CN(C)c1ccc([C@H]2[C@H](C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@H]23)cc1 ZINC000066262231 JJ Annotated Anodyne CN(C)c1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 ZINC000066262233 JJ Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ncc(C(F)(F)F)cc3Cl)cc1)C2 ZINC000066263200 JJ Annotated Bother N#Cc1c(-c2nnc(O)c3nn(-c4ccccc4)cc23)nn(-c2ccccc2)c1-c1ccccc1 ZINC000066263554 JJ Annotated Mild COc1cc(-c2cc(C)c3c(OC)ccc(OC)c3n2)cc2c1OCCN(Cc1cn(C)nc1C)C2 ZINC000067688744 JJ Annotated Anodyne CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@](C)(O)[C@H]2C[C@@H](C(C)(C)O)CC[C@]12C ZINC000067913206 JJ Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@](C)(O)[C@H]2C[C@@H](C(C)(C)O)CC[C@]12C ZINC000067913209 JJ Annotated Anodyne in-man CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@](C)(O)[C@H]2C[C@@H](C(C)(C)O)CC[C@@]21C ZINC000067913210 JJ Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@](C)(O)[C@H]2C[C@@H](C(C)(C)O)CC[C@@]21C ZINC000067913212 JJ Annotated Anodyne in-man Cn1c(-c2ccccn2)nc(-c2ccc(S(C)(=O)=O)nc2)c1Sc1ccc(Cl)cc1 ZINC000068151454 JJ Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5[nH]4)s3)[nH]c2cc1C1=NCCN1 ZINC000068153293 JJ Annotated Anodyne CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1 ZINC000068198236 JJ Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000068200608 JJ Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C1(Cl)CC1 ZINC000068200611 JJ Annotated Anodyne Cn1ccc2cc(-c3cc4[nH]c(Oc5cccc(P(=O)(O)O)c5)nc4cc3Cl)ccc21 ZINC000068203291 JJ Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)ncc4C)ccc3[nH]2)n1 ZINC000068205672 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3[C@H](O)c2ccc(Cl)cc2)ccc1-n1cnc(C)c1 ZINC000068205904 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@H]3[C@H](O)c2ccc(Cl)cc2)ccc1-n1cnc(C)c1 ZINC000068205905 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3[C@@H](O)c2ccc(Cl)cc2)ccc1-n1cnc(C)c1 ZINC000068205907 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@H]3[C@@H](O)c2ccc(Cl)cc2)ccc1-n1cnc(C)c1 ZINC000068205909 JJ Annotated Anodyne COc1cc(/C=C2\O[C@@H](C)CN3C2=NOC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000068205915 JJ Annotated Anodyne COc1cc(/C=C2\O[C@H](C)CN3C2=NOC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 ZINC000068205919 JJ Annotated Anodyne O=c1ccn(-c2ccc(OCC(F)(F)F)cc2)nc1-c1ccnn1-c1ccnc2ccccc12 ZINC000068208955 JJ Annotated Anodyne COc1cc(Nc2nc3n(n2)CC[C@@](C)(O)C[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(Cl)c1 ZINC000068243858 JJ Annotated Anodyne COc1c([C@@H]2C[C@@H]2c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000068246912 JJ Annotated Anodyne COc1c([C@H]2C[C@@H]2c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000068246913 JJ Annotated Anodyne COc1c([C@@H]2C[C@H]2c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000068246914 JJ Annotated Anodyne COc1c([C@H]2C[C@H]2c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000068246915 JJ Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000068247146 JJ Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(C(F)(F)F)c2Br)C1 ZINC000068247209 JJ Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCC2)nc1 ZINC000068247457 JJ Annotated Mild Cc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000068248873 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@@H]1CC[C@H](C2)N1 ZINC000068249127 JJ Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)[C@H]1CC[C@@H](C2)N1 ZINC000068249129 JJ Annotated Anodyne Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCP(=O)(O)O)cc3C)cc12 ZINC000068250619 JJ Annotated Anodyne O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 ZINC000068250852 JJ Annotated Anodyne CSc1ccc(N2C(=N)C(=S)N(c3ccc(I)cc3)C2=O)cc1 ZINC000069061641 JJ Annotated Anodyne CCOC(=O)N1CCc2c(sc(NC(=O)Cc3cccs3)c2C(=O)OC2CCCC2)C1 ZINC000070077403 JJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@H]1[C@@H]3CC[C@H]([C@@H](C)[C@@H]4[C@H](O)C[C@@H](C)CN4C)C(C)=C3C[C@@H]12 ZINC000070454890 JJ Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)OO)C4)O1 ZINC000070455567 JJ Annotated Reactive in-vitro biogenic O=C1CCCCC/C=C/CCOC(=O)c2c(O)c(Br)c(O)c(Br)c2C1 ZINC000070462974 JJ Annotated Anodyne CCCCN(CCCC)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@H](N)C(=O)O)cc3)cccc12 ZINC000070719785 JJ Annotated Anodyne CCCCN(CCCC)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@@H](N)C(=O)O)cc3)cccc12 ZINC000070719786 JJ Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c(C)c1C(=O)N1CCCCC1 ZINC000071280601 JJ Annotated Anodyne CCN(CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c1C ZINC000071280672 JJ Annotated Anodyne CCCCCCCCCCO[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](COC(C)=O)O1 ZINC000071280923 JJ Annotated Mild O=C1NCC(=O)N(Cc2ccc(Oc3cccc(Cl)c3)cc2)[C@H]1Cc1c[nH]c2ccccc12 ZINC000071281049 JJ Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)cc(Br)c1OC ZINC000071281637 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)cc(Br)c1OC ZINC000071281639 JJ Annotated Anodyne CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@H](O)[C@@H]1OC(=O)[C@H](C)[C@H]1C ZINC000071282436 JJ Annotated Mild in-vitro CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)nc1C(F)(F)F ZINC000071294938 JJ Annotated Mild O=C1NCC(=O)N(Cc2ccc(Oc3cccc(Cl)c3)cc2)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000071295467 JJ Annotated Anodyne CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CN1C ZINC000071295617 JJ Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccccc32)cc(Br)c1OC ZINC000071295630 JJ Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccccc32)cc(Br)c1OC ZINC000071295631 JJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(CN3CCc4ccccc4C3)cc(=O)n21 ZINC000071295979 JJ Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000071296390 JJ Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N=C1\S[C@H](c2ccccc2)C(=O)N1c1ccc(O)cc1 ZINC000071296408 JJ Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/N=C1\S[C@@H](c2ccccc2)C(=O)N1c1ccc(O)cc1 ZINC000071296409 JJ Annotated Mild CNc1cc(F)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1 ZINC000071296793 JJ Annotated Anodyne COc1cccc2c(-c3ccc(C(=O)NCCN(C)C)cc3)c3[nH]c4c(OC)cccc4c3nc12 ZINC000071296821 JJ Annotated Bother CCOc1ccc(OC(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)CO)cc2cc(C#N)ccc21 ZINC000071296913 JJ Annotated Mild N#Cc1ccc2c(c1)cc(C(=O)NCC[C@H](O)C(F)(F)F)n2Cc1cccc(OC(F)(F)F)c1 ZINC000071296999 JJ Annotated Mild N#Cc1ccc2c(c1)cc(C(=O)NCC[C@@H](O)C(F)(F)F)n2Cc1cccc(OC(F)(F)F)c1 ZINC000071297000 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000071315766 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000071315767 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000071315768 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000071315769 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000071315836 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000071315837 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000071315838 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000071315839 JJ Annotated Mild CC(=O)Nc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccc(Br)cc43)OC2=O)cc1 ZINC000071315883 JJ Annotated Anodyne CC(=O)Nc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccc(Br)cc43)OC2=O)cc1 ZINC000071315884 JJ Annotated Anodyne C[C@]12CC[C@@H](COC(=O)c3ccccc3)[C@@](C)(CCc3ccoc3)[C@H]1C[C@@H](O)C=C2C(=O)O ZINC000071316090 JJ Annotated Anodyne CCN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 ZINC000071316551 JJ Annotated Bother CCCNC(=O)c1cc(-n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)ccc1O ZINC000071316693 JJ Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OCCN(C)C)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071316807 JJ Annotated Anodyne N#Cc1cccc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)c1 ZINC000071317266 JJ Annotated Mild CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCN(C)C)c(C)c3oc2=O)ccc1O ZINC000071317904 JJ Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071318084 JJ Annotated Reactive CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071318085 JJ Annotated Reactive O=C(c1ncc(I)o1)[C@H]1CCc2cc(OCc3ccccc3)ccc2C1 ZINC000071318092 JJ Annotated Anodyne O=C(c1ncc(I)o1)[C@@H]1CCc2cc(OCc3ccccc3)ccc2C1 ZINC000071318093 JJ Annotated Anodyne CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2ncccc21 ZINC000071318205 JJ Annotated Anodyne CCCNC(=O)c1ccc(-n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)cc1O ZINC000071318223 JJ Annotated Anodyne Cc1c(C(=O)NC2(C#N)CCOCC2)nn(-c2ccccc2Br)c1-c1ccc(F)cc1 ZINC000071318414 JJ Annotated Mild N#CCC1=NN=C(c2ccc(Br)cc2)[C@@H](CC(=O)c2ccc(Br)cc2)O1 ZINC000071318426 JJ Annotated Mild N#CCC1=NN=C(c2ccc(Br)cc2)[C@H](CC(=O)c2ccc(Br)cc2)O1 ZINC000071318427 JJ Annotated Mild O=[N+]([O-])c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)nc(NCCOP(=O)(O)O)c2c1 ZINC000071318732 JJ Annotated Bother COc1ccc([C@@H]2[C@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000071318774 JJ Annotated Bother COc1ccc([C@@H]2[C@@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000071318775 JJ Annotated Bother COCCSc1ncnc2c1cnn2-c1nc(C)nc2sc3c(c12)-c1ccccc1CC3 ZINC000071318965 JJ Annotated Anodyne CCOP(=O)(OCC)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccccc2OC)ON1C ZINC000071319283 JJ Annotated Anodyne CCOc1ccccc1C(=O)C1=C(O)C(=O)N(CCCOC)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000071329038 JJ Annotated Mild CCOc1ccccc1C(=O)C1=C(O)C(=O)N(CCCOC)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000071329039 JJ Annotated Mild CC(=O)Nc1ccc(CN2C(=N)[C@@]3(CC(C)(C)Oc4ccc(Br)cc43)OC2=O)cc1 ZINC000071329186 JJ Annotated Anodyne CC(=O)Nc1ccc(CN2C(=N)[C@]3(CC(C)(C)Oc4ccc(Br)cc43)OC2=O)cc1 ZINC000071329187 JJ Annotated Anodyne CCOP(=O)(OCC)[C@@H]1[C@@H](C(=O)c2ccccc2OC)[C@H](c2ccc(OC)cc2)ON1C ZINC000071329193 JJ Annotated Anodyne C=C1CC/C=C(/C)CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000071329198 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000071329851 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000071329852 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000071329853 JJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000071329854 JJ Annotated Mild CCOc1ccccc1C(=O)C1=C(O)C(=O)N(CCCOC)[C@@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000071329882 JJ Annotated Mild CCOc1ccccc1C(=O)C1=C(O)C(=O)N(CCCOC)[C@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000071329883 JJ Annotated Mild O=c1n(CC(F)(F)F)c2cccnc2n1[C@H]1CCCN(c2nccc(-c3ccc(Cl)s3)n2)C1 ZINC000071330078 JJ Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)CCSCCO)C/C1=C\c1ccc(Cl)cc1 ZINC000071330153 JJ Annotated Mild COc1ccc([C@@H]2[C@@H]([C@@H](O)c3ccc(C)s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071330510 JJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@H](O)c3ccc(C)s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071330512 JJ Annotated Anodyne COc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCCC2(O)CCC2)cc2cc(C#N)ccc21 ZINC000071330703 JJ Annotated Mild O=C(c1ccc(-c2ccc(CO)cc2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071331480 JJ Annotated Clean O=C(c1ccc(-c2ccc(CO)cc2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071331482 JJ Annotated Clean CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O ZINC000071333152 JJ Annotated Mild NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)cc1 ZINC000071333431 JJ Annotated Clean NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)cc1 ZINC000071333434 JJ Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@H]2c2ccccc2O)s1 ZINC000071333500 JJ Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@@H]2c2ccccc2O)s1 ZINC000071333504 JJ Annotated Clean Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@H](c3c(O)cccc3F)C2)c1 ZINC000071335082 JJ Annotated Clean Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@@H](c3c(O)cccc3F)C2)c1 ZINC000071335085 JJ Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@H]2c2c(O)cccc2F)s1 ZINC000071335161 JJ Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@@H]2c2c(O)cccc2F)s1 ZINC000071335165 JJ Annotated Clean CC(=O)Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@H](c3ccccc3O)C2)c1 ZINC000071340357 JJ Annotated Clean CC(=O)Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@@H](c3ccccc3O)C2)c1 ZINC000071340358 JJ Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@H]2c2ccccc2O)s1 ZINC000071340779 JJ Annotated Clean NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@@H]2c2ccccc2O)s1 ZINC000071340780 JJ Annotated Clean CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O ZINC000071341231 JJ Annotated Mild CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@@H]1OC(=O)NC1=O ZINC000071341641 JJ Annotated Mild CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@@H]1OC(=O)NC1=O ZINC000071341642 JJ Annotated Mild CCN(CC)CCNc1ccc2c3c(n(CCN(CC)CC)cc13)-c1ccccc1S2(=O)=O ZINC000071341675 JJ Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O ZINC000071341780 JJ Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1coc2ccc(-c3ccccc3)cc2c1=O ZINC000071341852 JJ Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1coc2ccc(-c3ccccc3)cc2c1=O ZINC000071341853 JJ Annotated Anodyne CS(=O)(=O)c1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072100979 JJ Annotated Anodyne CS(=O)(=O)c1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072100980 JJ Annotated Anodyne Cc1ncsc1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072101409 JJ Annotated Anodyne Cc1ncsc1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072101410 JJ Annotated Anodyne O=C(NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1cc(F)ccc1F ZINC000072101411 JJ Annotated Anodyne O=C(NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1cc(F)ccc1F ZINC000072101412 JJ Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101558 JJ Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101559 JJ Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3cccc4ccccc34)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000072101855 JJ Annotated Clean O=C(NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1cccc(F)c1F ZINC000072102242 JJ Annotated Anodyne O=C(NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1cccc(F)c1F ZINC000072102243 JJ Annotated Anodyne O=C(NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccc(F)cc1F ZINC000072103234 JJ Annotated Anodyne O=C(NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccc(F)cc1F ZINC000072103235 JJ Annotated Anodyne Cc1ncsc1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cncs2)CC1 ZINC000072103358 JJ Annotated Anodyne Cc1ncsc1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cncs2)CC1 ZINC000072103359 JJ Annotated Anodyne Cn1cc(CN2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)c(C(F)(F)F)n1 ZINC000072103467 JJ Annotated Anodyne Cn1cc(CN2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)c(C(F)(F)F)n1 ZINC000072103468 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072103483 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072103485 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103641 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103642 JJ Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072103813 JJ Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072103815 JJ Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cncs2)CC1 ZINC000072103855 JJ Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cncs2)CC1 ZINC000072103856 JJ Annotated Anodyne COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072103983 JJ Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072103984 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000072104272 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000072104274 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072104498 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072104499 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000072105205 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000072105206 JJ Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(C(=O)c2ccccc2)CCN1C3 ZINC000072105462 JJ Annotated Bother CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000072106331 JJ Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1N1C(=O)CN(c2cccc3ccccc23)C1=S)C1CCCCC1 ZINC000072106524 JJ Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1cccc2ccccc12)C1CCCCC1 ZINC000072106649 JJ Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 ZINC000072107115 JJ Annotated Reactive O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@@H](CCl)c2c1cc([N+](=O)[O-])c1ccccc21 ZINC000072107116 JJ Annotated Reactive O=C(c1cc2cc(OCCO)ccc2[nH]1)N1C[C@H](CCl)c2c1cc([N+](=O)[O-])c1ccccc21 ZINC000072107117 JJ Annotated Reactive CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 ZINC000072107281 JJ Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 ZINC000072107282 JJ Annotated Bother N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NCCN2CCOCC2)n2c1nc1ccccc12 ZINC000072107770 JJ Annotated Mild O=S(=O)(NCc1cccn2c(C3CCCCCC3)nnc12)c1c(Cl)cccc1Cl ZINC000072108639 JJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)c3ccccc3)C(=O)/C(C)=C/[C@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000072108935 JJ Annotated Mild CN(C)C(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109811 JJ Annotated Mild Cc1cc(SCC(=O)N/N=C/c2ccc(OC(F)F)c(OC(F)F)c2)c2ccccc2n1 ZINC000072110246 JJ Annotated Reactive COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C(=O)c2ccccc2)CCN1C3 ZINC000072111364 JJ Annotated Bother CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113447 JJ Annotated Anodyne O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O ZINC000072113482 JJ Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113504 JJ Annotated Anodyne COc1cc(-c2cn(Cc3ccc(-c4noc(-c5ccncc5)n4)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072113626 JJ Annotated Anodyne O=C(O)c1cn(Cc2cccc(F)c2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O ZINC000072113850 JJ Annotated Anodyne COc1cc2[nH]c3c(C[C@@H](Br)C(C)(C)O)c(O)c(C=O)cc3c2cc1Br ZINC000072114187 JJ Annotated Reactive COc1cc2[nH]c3c(C[C@H](Br)C(C)(C)O)c(O)c(C=O)cc3c2cc1Br ZINC000072114188 JJ Annotated Reactive CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000072114529 JJ Annotated Mild COc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)cc3)c2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072116311 JJ Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000072116673 JJ Annotated Mild COc1ccc(NC(=O)CCc2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)nn3)n2)cc1 ZINC000072116769 JJ Annotated Anodyne CCc1cc(=O)c2ccc(OCC(C)C)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072117086 JJ Annotated Anodyne CCc1cc(=O)c2ccc(OCC(C)C)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072117087 JJ Annotated Anodyne C=CCc1cc(C=O)c(OCC(=O)OCC)c(-c2ccc(OCC(=O)OCC)c(CC=C)c2)c1 ZINC000072118641 JJ Annotated Mild CN1CCN(c2ccc(/C=C/c3cccc(/C=C/c4ccc(N5CCN(C)CC5)cc4)n3)cc2)CC1 ZINC000072118805 JJ Annotated Clean N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCOCC3)n2)cc1C(F)(F)F ZINC000072118952 JJ Annotated Mild O=C(CCc1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)nn2)n1)Oc1ccc(-n2ccnc2)cc1 ZINC000072118995 JJ Annotated Anodyne CC(C)N1CC(=O)N=C1N/C(=N/c1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000072119028 JJ Annotated Mild O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000072119785 JJ Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000072119786 JJ Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000072119787 JJ Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000072119788 JJ Annotated Anodyne COc1cc(OC)c([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000072119870 JJ Annotated Anodyne COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000072119902 JJ Annotated Anodyne Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2O[C@@H]3c2ccc(Cl)o2)c1 ZINC000072119954 JJ Annotated Anodyne Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2O[C@H]3c2ccc(Cl)o2)c1 ZINC000072119955 JJ Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(C(F)(F)F)o1)Nc1ccccc1-3 ZINC000072120396 JJ Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(C(F)(F)F)o1)Nc1ccccc1-3 ZINC000072120397 JJ Annotated Anodyne COc1cc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000072120572 JJ Annotated Anodyne O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000072121524 JJ Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C2CC2)cc1 ZINC000072122728 JJ Annotated Clean Nc1cccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000072122848 JJ Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C(F)(F)F)cc1 ZINC000072122889 JJ Annotated Clean Nc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000072123050 JJ Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000072123336 JJ Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000072123443 JJ Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C(C)C)cc1 ZINC000072124264 JJ Annotated Clean CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCN1CCN(C(=O)c2ccco2)CC1 ZINC000072124445 JJ Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCC[C@@H](C)C4)n3)cc2)C1=O ZINC000072124682 JJ Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCC[C@H](C)C4)n3)cc2)C1=O ZINC000072124683 JJ Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCC(F)(F)C4)n3)cc2)C1=O ZINC000072124710 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@H]2CC[C@H](C)[C@@]3(C)C[C@@H](/C(C)=C/CC=C(C)C)CC[C@H]23)OC[C@@H](O)[C@H]1O ZINC000072124715 JJ Annotated Anodyne N#CSCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1 ZINC000072124727 JJ Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCC#Cc1ccc(-c3ccc(OC(F)F)cc3)cc1)C2 ZINC000072124855 JJ Annotated Mild CC[C@@H](COC)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1 ZINC000072125020 JJ Annotated Anodyne CC[C@H](COC)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1 ZINC000072125021 JJ Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCC#Cc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 ZINC000072125068 JJ Annotated Mild CN(C)CCCCCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000072126089 JJ Annotated Anodyne Nc1c(F)c(NCCNc2cccc3ccccc23)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000072126967 JJ Annotated Anodyne C[C@@H](NCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127604 JJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cnc3c(Cl)nc(Cl)nc31)O2 ZINC000072127852 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000072132894 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000072132896 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000072133449 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000072133451 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072134155 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@@H](c3ccccc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072134156 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@H](c3ccccc3)C[C@H]2O)nn1)c1ccccc1 ZINC000072134157 JJ Annotated Anodyne CCOC(=O)C1=CC[C@H](c2ccccc2C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072134210 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000072135020 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000072135021 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000072135849 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000072135850 JJ Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000072135938 JJ Annotated Clean CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000072136028 JJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000072136029 JJ Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccc(Br)cc1 ZINC000072136077 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136287 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136288 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136289 JJ Annotated Anodyne Cc1cc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)c2ccccc2n1 ZINC000072136349 JJ Annotated Anodyne COc1ccc(Oc2cccc3c2S(=O)(=O)N(C2CC2)C[C@H](COCc2ccccc2)O3)cc1 ZINC000072136573 JJ Annotated Anodyne COc1ccc(Oc2cccc3c2S(=O)(=O)N(C2CC2)C[C@@H](COCc2ccccc2)O3)cc1 ZINC000072136574 JJ Annotated Anodyne O=C(Cn1cc(COc2ccc(-c3ccc(Br)cc3)cc2)nn1)c1ccc(O)cc1 ZINC000072136609 JJ Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(OC)cc3)cccc2O1 ZINC000072136734 JJ Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(OC)cc3)cccc2O1 ZINC000072136735 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000072136766 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000072136767 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072136836 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072136837 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3CCC3)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000072136936 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3CCC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000072136937 JJ Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136939 JJ Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136940 JJ Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1cccc2ccccc12 ZINC000072137492 JJ Annotated Anodyne COc1cc(F)ccc1Oc1cccc2c1S(=O)(=O)N(C1CC1)C[C@H](COCc1ccccc1)O2 ZINC000072137726 JJ Annotated Anodyne COc1cc(F)ccc1Oc1cccc2c1S(=O)(=O)N(C1CC1)C[C@@H](COCc1ccccc1)O2 ZINC000072137727 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000072137915 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000072137917 JJ Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000072138123 JJ Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000072138124 JJ Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000072138304 JJ Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000072138305 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](CCc2ccccc2)c2nnnn2C2CCCC2)CC1 ZINC000072138344 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](CCc2ccccc2)c2nnnn2C2CCCC2)CC1 ZINC000072138345 JJ Annotated Anodyne O=C(c1cccs1)N1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000072138366 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000072138388 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2Cc2cccs2)cc1 ZINC000072138390 JJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072138598 JJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072138599 JJ Annotated Anodyne CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 ZINC000072139421 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072139485 JJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072139487 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1 ZINC000072139536 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1 ZINC000072139537 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072139652 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072139654 JJ Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccccc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000072139726 JJ Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccccc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000072139727 JJ Annotated Anodyne CCOc1cc2c(c3c1[C@H](c1ccccc1)N(S(=O)(=O)c1ccc(C)cc1)C3)C(=O)C=CC2=O ZINC000072139793 JJ Annotated Mild CCOc1cc2c(c3c1[C@@H](c1ccccc1)N(S(=O)(=O)c1ccc(C)cc1)C3)C(=O)C=CC2=O ZINC000072139794 JJ Annotated Mild Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072139823 JJ Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072139825 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccnc3ccccc23)c2nnnn2C2CCCC2)CC1 ZINC000072139869 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2ccnc3ccccc23)c2nnnn2C2CCCC2)CC1 ZINC000072139870 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3CCC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000072141025 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NC3CCC3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000072141026 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072141289 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072141290 JJ Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(F)cc3)cccc2O1 ZINC000072141607 JJ Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(F)cc3)cccc2O1 ZINC000072141608 JJ Annotated Anodyne NCCN(Cc1ccccc1)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072142472 JJ Annotated Anodyne NCCN(Cc1ccccc1)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072142473 JJ Annotated Anodyne Cc1ncsc1C(=O)N1CCN([C@@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072142886 JJ Annotated Anodyne Cc1ncsc1C(=O)N1CCN([C@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072142887 JJ Annotated Anodyne COc1cc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OCCCN(C)C ZINC000072170987 JJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171821 JJ Annotated Anodyne CNC(=O)Oc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C ZINC000072171877 JJ Annotated Anodyne Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cc(N2CCN(C)CC2)cc1F ZINC000072171882 JJ Annotated Anodyne CNCCOc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C ZINC000072172042 JJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172171 JJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(C)=O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172289 JJ Annotated Anodyne CN(C)Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F ZINC000072173010 JJ Annotated Anodyne COc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCC/C4=N\Nc3ccccn3)cc2)cc1 ZINC000072175285 JJ Annotated Mild C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)c2[nH]ncc2C(=O)O1 ZINC000072175909 JJ Annotated Anodyne COc1ccc(C(=O)c2coc3c(Br)c(Br)c(O)cc23)cc1OC ZINC000072176175 JJ Annotated Anodyne CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000072176202 JJ Annotated Anodyne COc1cc2c(-c3cc(-c4ccc(F)c(F)c4)c(C#N)c(N)n3)cn(C)c2c(OC)c1OC ZINC000072176281 JJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176515 JJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176516 JJ Annotated Mild COc1cc2c(-c3cc(-c4ccc(F)cc4F)c(C#N)c(N)n3)cn(C)c2c(OC)c1OC ZINC000072176596 JJ Annotated Mild COc1ccc(C(=O)O[C@H](CC=C(C)C)c2cc(OC)c3c(c2OC)C(=O)C=CC3=O)cc1 ZINC000072177120 JJ Annotated Mild Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2nnnc32)n(C)n(-c2ccccc2)c1=O ZINC000072177280 JJ Annotated Anodyne O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000072177303 JJ Annotated Bother COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c2c1C(=O)C=CC2=O ZINC000072177493 JJ Annotated Mild Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(=O)[nH]cnc32)n(C)n(-c2ccccc2)c1=O ZINC000072177567 JJ Annotated Anodyne COC(=O)c1cc2cc(/C=C/C(=O)c3ccco3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072178110 JJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2ccccc2Cl)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178323 JJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2ccccc2Cl)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178324 JJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2cccc(Cl)c2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178395 JJ Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2cccc(Cl)c2)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072178396 JJ Annotated Mild Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(NN)ncnc32)n(C)n(-c2ccccc2)c1=O ZINC000072178537 JJ Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072178691 JJ Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1[C@H]1CCCC[C@@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072178692 JJ Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Br)cc2)NC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072179167 JJ Annotated Anodyne COc1ccccc1C(=O)O[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000072179785 JJ Annotated Mild COc1ccc(CC(=O)O[C@H](CC=C(C)C)c2cc(OC)c3c(c2OC)C(=O)C=CC3=O)cc1 ZINC000072179786 JJ Annotated Mild COc1cc(C(=O)c2c(-c3cnn(C)c3)oc3c(OC(C)C)c(OC)ccc23)cc(OC)c1OC ZINC000072179907 JJ Annotated Anodyne CCCCCC[C@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072180066 JJ Annotated Mild CCCCCC[C@@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072180067 JJ Annotated Mild Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1F ZINC000072180074 JJ Annotated Clean COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2C1CCCCC1 ZINC000072180192 JJ Annotated Anodyne O=S(=O)(/C=C/c1cccc(F)c1)Nc1cccc(-c2nnn(Cc3cccc(Cl)c3)n2)c1 ZINC000072180326 JJ Annotated Anodyne Cc1cccc(/C=C/S(=O)(=O)Nc2cccc(-c3nnn(Cc4cccc(Cl)c4)n3)c2)c1 ZINC000072180436 JJ Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072180818 JJ Annotated Anodyne CCOc1cnc2c(C(=O)N3CCNCC3)c(Oc3c(C)cccc3C)n(-c3ccccc3)c2c1 ZINC000072181417 JJ Annotated Anodyne CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3C(F)(F)F)c2C)cc1 ZINC000072181446 JJ Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3C(F)(F)F)c2C)cc1 ZINC000072181447 JJ Annotated Anodyne CCc1ccnc2c1c(C(=O)N1CCNCC1)c(Cc1cccc(F)c1C)n2-c1ccccc1 ZINC000072181789 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCNC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1 ZINC000072181888 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCNC[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C1 ZINC000072181890 JJ Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCN[C@@H](C)C2)c2cnc(O)cc2n1C1CCCCC1 ZINC000072182478 JJ Annotated Anodyne Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2cnc(O)cc2n1C1CCCCC1 ZINC000072182599 JJ Annotated Anodyne CCn1cc(-c2nnc3sc(-c4cccc(Cl)c4Cl)nn23)c(=O)c2ccc(C)nc21 ZINC000072183014 JJ Annotated Anodyne O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3ccccc3)nn2)c1 ZINC000072183058 JJ Annotated Anodyne O=C(c1c(Oc2cc(F)ccc2Cl)n(-c2ccccc2)c2cccnc12)N1CCNCC1 ZINC000072183535 JJ Annotated Anodyne C=CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3C=C)c2C)cc1 ZINC000072183692 JJ Annotated Mild C=CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3C=C)c2C)cc1 ZINC000072183693 JJ Annotated Mild O/N=C(/c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072183945 JJ Annotated Mild CC(C)Oc1ccc([C@@H](c2cccnc2)N(C(=O)C2CC2)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000072184628 JJ Annotated Anodyne CC(C)Oc1ccc([C@H](c2cccnc2)N(C(=O)C2CC2)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000072184629 JJ Annotated Anodyne CCn1nc(C)cc1C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186170 JJ Annotated Anodyne CCn1nc(C)cc1C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186171 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cc(C(C)(C)C)nc3cc(-c4ccc(F)cc4)nn23)CC1 ZINC000072186573 JJ Annotated Anodyne CC(C)(C)OC(=O)COc1ccc(CC2=C(C3=CN[C@H]4C=CC=C[C@H]34)c3ccccc3C(=O)C2=O)cc1 ZINC000072190068 JJ Annotated Mild in-vivo CC(C)(C)OC(=O)COc1ccc(CC2=C(C3=CN[C@@H]4C=CC=C[C@H]34)c3ccccc3C(=O)C2=O)cc1 ZINC000072190069 JJ Annotated Mild in-vivo CC(C)(C)OC(=O)COc1ccc(CC2=C(C3=CN[C@H]4C=CC=C[C@@H]34)c3ccccc3C(=O)C2=O)cc1 ZINC000072190070 JJ Annotated Mild in-vivo CC(C)(C)OC(=O)COc1ccc(CC2=C(C3=CN[C@@H]4C=CC=C[C@@H]34)c3ccccc3C(=O)C2=O)cc1 ZINC000072190071 JJ Annotated Mild in-vivo COCCOc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3ccccc3)cnc2c1 ZINC000072315537 JJ Annotated Anodyne Cn1nc(-c2ccc3ccccc3n2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 ZINC000072315823 JJ Annotated Anodyne CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000072317073 JJ Annotated Clean CC1(C)C(=O)C=C[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H](c5ccc(=O)oc5)C(Cl)(Cl)C[C@]4(O)C3=CC[C@@H]12 ZINC000072317847 JJ Annotated Anodyne O=C(N[C@H]1COCC[C@@H]1N1CCCC1)c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000072318443 JJ Annotated Anodyne O=C(N[C@@H]1COCC[C@H]1N1CCCC1)c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000072318445 JJ Annotated Anodyne N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc12 ZINC000072323722 JJ Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000072323723 JJ Annotated Mild COc1ccc(-c2ncn(C)c2-c2cc(I)c(OC)c(OC)c2)cc1F ZINC000073129609 JJ Annotated Anodyne CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccc(O)cc2)C1 ZINC000073138823 JJ Annotated Anodyne COc1cc2nc(Cl)nc(NCCCNC(=O)CCCC[C@@H]3CCSS3)c2cc1OC ZINC000073138999 JJ Annotated Reactive COc1cc2nc(Cl)nc(NCCCNC(=O)CCCC[C@H]3CCSS3)c2cc1OC ZINC000073139001 JJ Annotated Reactive Cc1nc(C)c(COc2c(Br)cc(Br)cc2/C=C/C(=O)O)nc1C ZINC000073139154 JJ Annotated Anodyne O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N/N=C/c1ccc(Cl)c(F)c1 ZINC000073140210 JJ Annotated Reactive O=C(N/N=C/c1ccc(OC(F)(F)C(F)F)cc1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O ZINC000073140314 JJ Annotated Reactive COCCCc1cc(C)c(C)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000073159872 JJ Annotated Anodyne Cc1ccc(C(=O)/C=C/c2cc3cc(C(=O)N4CCN(C)CC4)c(=O)oc3c3ccccc23)cc1 ZINC000073160718 JJ Annotated Mild Cc1ccc(C(=O)/C=C/c2cc3cc(C(=O)N4CCOCC4)c(=O)oc3c3ccccc23)cc1 ZINC000073160721 JJ Annotated Mild CC[C@H]1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 ZINC000073161639 JJ Annotated Anodyne CC[C@@H]1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 ZINC000073161643 JJ Annotated Anodyne CC(C)(C)OC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(=O)OC(C)(C)C)[C@@H]23)OCO5 ZINC000073162070 JJ Annotated Anodyne COc1ccc(C(=O)Cc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073162893 JJ Annotated Reactive COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(N(C)C)cc2)C1 ZINC000073163124 JJ Annotated Clean COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000073163128 JJ Annotated Clean Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](/C=C/c3ccccc3)C2)cc1Cl ZINC000073163454 JJ Annotated Clean Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](/C=C/c3ccccc3)C2)cc1Cl ZINC000073163455 JJ Annotated Clean O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000073165144 JJ Annotated Reactive O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000073165280 JJ Annotated Reactive COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000073168542 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000073168544 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000073168546 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000073168547 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000073168557 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000073168559 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@H]1C2 ZINC000073168561 JJ Annotated Bother COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000073168563 JJ Annotated Bother COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073168565 JJ Annotated Bother COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073168567 JJ Annotated Bother COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073168569 JJ Annotated Bother COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073168571 JJ Annotated Bother Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Br)cc2c1=O ZINC000073169491 JJ Annotated Anodyne NC(=O)[C@@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000073169749 JJ Annotated Anodyne NC(=O)[C@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000073169751 JJ Annotated Anodyne Oc1ccc(C(c2cc(Br)c(O)cc2O)c2cc(Br)c(O)cc2O)cc1 ZINC000073195690 JJ Annotated Anodyne COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(-c5nnn[nH]5)c4)c3C)SC2=S)c1 ZINC000073196479 JJ Annotated Clean CNC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073196560 JJ Annotated Anodyne COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(-c5nnn[nH]5)c4)c3C)SC2=S)cc1 ZINC000073196622 JJ Annotated Clean CC[C@H]1[C@@H](NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccc(C)cc4)nn23)[C@H]2CC[C@@H]1C2 ZINC000073196661 JJ Annotated Bother CC[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccc(C)cc4)nn23)[C@H]2CC[C@@H]1C2 ZINC000073196662 JJ Annotated Bother COC1=CC(=O)O[C@]2(/C=C/c3ccccc3)[C@H]1[C@H](c1ccccc1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000073197030 JJ Annotated Anodyne O=C(COCc1c(-c2ccccc2)no[n+]1[O-])Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000073197123 JJ Annotated Mild COc1cc(C(=O)NCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000073197747 JJ Annotated Mild COC1=C(CC(C)(C)CNC(=O)c2cc(OC)c3ccccc3c2OC)C(=O)c2ccccc2C1=O ZINC000073197749 JJ Annotated Mild CN1CCN(CCCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000073197981 JJ Annotated Anodyne CN1CCN(CCCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197982 JJ Annotated Anodyne C=CC1=C[C@@H]2[C@H]3[C@](C)(O)CO[C@]45O[C@]67CCCC(C)(C)[C@@H]6CC[C@](C1)(C(=O)[C@]3(C(C)C)C4=O)[C@]25C7 ZINC000073198737 JJ Annotated Anodyne COC[C@]1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21 ZINC000073199028 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CN(C)C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000073199030 JJ Annotated Anodyne CN1CCN(CCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000073199195 JJ Annotated Anodyne CN1CCN(CCN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073199196 JJ Annotated Anodyne CN1CCN(CCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000073199197 JJ Annotated Anodyne CN1CCN(CCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073199198 JJ Annotated Anodyne COc1cc(C(=O)NCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)c(O)c2ccccc12 ZINC000073199340 JJ Annotated Mild COc1cc(C=O)ccc1OCc1cn([C@@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000073199374 JJ Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@@H]2C(=O)N(c3ccc(C)cc3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000073199375 JJ Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000073199377 JJ Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@H]2C(=O)N(c3ccc(C)cc3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000073199380 JJ Annotated Anodyne Cc1ccc(/N=C(O)/C(C#N)=c2\s/c(=C\c3ccc(Cl)cc3)c(=O)n2-c2ccccc2)cc1 ZINC000073199784 JJ Annotated Mild COc1cc2c(cc1OCCCN1C(=O)c3cccc4cccc1c34)N=C[C@@H]1CCCN1C2=O ZINC000073199792 JJ Annotated Anodyne COc1cc2c(cc1OCCCCN1C(=O)c3cccc4cccc1c34)N=C[C@@H]1CCCN1C2=O ZINC000073199794 JJ Annotated Anodyne C/C(=N/O)c1ccc(OCC(=O)Nc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000073200316 JJ Annotated Mild Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(O)cc2n1-c1ccc(F)cc1 ZINC000073200364 JJ Annotated Anodyne COc1cc(/C=C2\CCCN(C3(c4ccccc4)CCOCC3)C2=O)ccc1-n1cnc(C)c1 ZINC000073200387 JJ Annotated Anodyne COc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1 ZINC000073219033 JJ Annotated Anodyne CCOC(=O)c1c(N)oc2c1c(Sc1ccc(Br)cc1)c(O)c1ncncc12 ZINC000073219930 JJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2[nH]c(=O)n3Cc2n[nH]c3ncccc23)c1 ZINC000073220524 JJ Annotated Mild O=C(CCc1ccc(CN2CCCC2)cc1)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000073220821 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCSCC2)cc1 ZINC000073221214 JJ Annotated Anodyne CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCNC(=O)OC(C)(C)C)cc1 ZINC000073221661 JJ Annotated Mild CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCNC(=O)OC(C)(C)C)cc1 ZINC000073221664 JJ Annotated Mild CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1 ZINC000073222352 JJ Annotated Mild CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccc(C(=O)O)cc2)cc1 ZINC000073222354 JJ Annotated Mild Cc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1 ZINC000073222827 JJ Annotated Anodyne COc1ccc(N2C(=O)N[C@]3(C[C@@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073224271 JJ Annotated Anodyne COc1ccc(N2C(=O)N[C@@]3(C[C@@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073224272 JJ Annotated Anodyne COc1ccc(N2C(=O)N[C@]3(C[C@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073224273 JJ Annotated Anodyne COc1ccc(N2C(=O)N[C@@]3(C[C@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073224274 JJ Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3cc(N)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224612 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3c(N)cccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224613 JJ Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc(N)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224884 JJ Annotated Mild CCOc1cc(/C=C/C(=O)c2ccccc2N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000073224950 JJ Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CC2)n(Cc2ccccc2F)c2ccc(Cl)cc12 ZINC000073239712 JJ Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000073239853 JJ Annotated Mild NCc1cc(Cl)cc(Oc2c(Cl)ccc3c2nnn3Cc2n[nH]c3ncccc23)c1Cl ZINC000073240563 JJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2cnn3Cc2n[nH]c3nc(N)ccc23)c1 ZINC000073240564 JJ Annotated Mild CCCCCCCC(=O)Oc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073256869 JJ Annotated Mild CCCCCCCCC(=O)Oc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073256871 JJ Annotated Mild CCOP(=O)(OCC)[C@H](NNC(=O)c1nn(C)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000073258573 JJ Annotated Reactive CCOP(=O)(OCC)[C@@H](NNC(=O)c1nn(C)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000073258574 JJ Annotated Reactive CCOP(=O)(OCC)[C@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1Br ZINC000073258577 JJ Annotated Reactive CCOP(=O)(OCC)[C@@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1Br ZINC000073258578 JJ Annotated Reactive C=C(/C=C/C=C(\CO)CCC=C(C)C)[C@H]1CC[C@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000073279966 JJ Annotated Reactive N#Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nn2Cc2ccc(Cl)nc2)cc1 ZINC000073296342 JJ Annotated Reactive O=[N+]([O-])c1ccc(-c2nc3sc(C(F)(F)F)nn3c2/C=C2\SC(=S)N=C2O)cc1 ZINC000073297633 JJ Annotated Bother CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 ZINC000073298535 JJ Annotated Anodyne CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]23OC(=O)c2cc(F)c(F)cc23)c(C)c1 ZINC000073312393 JJ Annotated Anodyne C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 ZINC000073313156 JJ Annotated Anodyne CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1 ZINC000073315548 JJ Annotated Anodyne O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F ZINC000073331269 JJ Annotated Mild C[C@H]1C[C@H](C)C[C@@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)C/C=C/C=C(\C#N)[C@@H](O)[C@@H](C)C1 ZINC000073351199 JJ Annotated Reactive in-vitro C[C@H]1C[C@H](C)C[C@@H](C)C[C@@H](C)[C@@H](O)CC(=O)O[C@@H]([C@@H]2CCC[C@@H]2C(=O)O)C/C=C/C=C(\C#N)[C@H]1O ZINC000073351200 JJ Annotated Reactive in-vitro C[C@H]1C[C@@H](C)C[C@H](C)[C@H](O)/C(C#N)=C/C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C1 ZINC000073351201 JJ Annotated Reactive in-vitro CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(N)=O)cc3)ccc21 ZINC000073390195 JJ Annotated Anodyne O=C(/C=C/c1nc2ccccc2o1)NC[C@@H](NC(=O)/C=C/c1nc2ccccc2o1)c1ccccc1 ZINC000078742865 JJ Annotated Anodyne Cc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)N2CCC[C@H]2CN2CCCC2)nn3C(C)(C)C)cc1 ZINC000078938652 JJ Annotated Anodyne in-vitro NC(=O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000008015290 JJ Annotated Mild CCN(CC)P(=O)([C@@H](NC(=O)OC)C(F)(F)C(F)(F)C(F)(F)C(F)F)N(CC)CC ZINC000008015350 JJ Annotated Mild Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2/N=C\c1ccco1 ZINC000008016160 JJ Annotated Mild O=C(NCc1ccccn1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018991 JJ Annotated Reactive C=CC[C@H]1C=C[C@@H](Oc2ccc(OC)cc2)[C@@H](COC(=O)c2ccc(Br)cc2)O1 ZINC000008019313 JJ Annotated Mild C=CC[C@H]1C=C[C@H](Oc2ccc(OC)cc2)[C@@H](COC(=O)c2ccc(Br)cc2)O1 ZINC000008019323 JJ Annotated Mild C=CC[C@@H]1C=C[C@@H](Oc2ccc(OC)cc2)[C@@H](COC(=O)c2ccc(Br)cc2)O1 ZINC000008019327 JJ Annotated Mild C=CC[C@@H]1C=C[C@H](Oc2ccc(OC)cc2)[C@@H](COC(=O)c2ccc(Br)cc2)O1 ZINC000008019336 JJ Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000008020032 JJ Annotated Mild COc1ccc(O[C@H]2C=C[C@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000008020039 JJ Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000008020048 JJ Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](C#Cc3ccc(Br)cc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000008020055 JJ Annotated Mild CCCc1cc2c(n1Cc1ccco1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000008021537 JJ Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C/C=N\O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)C=C[C@@H]1OC(C)=O ZINC000008035661 JJ Annotated Mild CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000008035744 JJ Annotated Mild CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccccc1OC)N=C(C)/C(=C(/O)OCC)[C@H]2c1cccnc1 ZINC000082047489 JJ Annotated Mild CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccccc1OC)N=C(C)/C(=C(/O)OCC)[C@H]2c1cccnc1 ZINC000082047491 JJ Annotated Mild COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1OC ZINC000082051254 JJ Annotated Anodyne COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1OC ZINC000082051256 JJ Annotated Anodyne COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1 ZINC000082051309 JJ Annotated Anodyne COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1 ZINC000082051310 JJ Annotated Anodyne COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 ZINC000082051547 JJ Annotated Anodyne COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)cc1 ZINC000082051549 JJ Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)C(=O)O[C@@H]1C2 ZINC000082051590 JJ Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000082051592 JJ Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCc4c[nH]c5ccc(OC)cc45)C(C)=O)[C@H]3C[C@H]12 ZINC000082052022 JJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCc4c[nH]c5ccc(OC)cc45)C(C)=O)[C@H]3C[C@H]12 ZINC000082052024 JJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCc4c[nH]c5ccc(OC)cc45)C(C)=O)[C@H]3C[C@@H]12 ZINC000082052026 JJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCc4c[nH]c5ccc(OC)cc45)C(C)=O)[C@H]3C[C@@H]12 ZINC000082052028 JJ Annotated Mild CCOP(=O)(OCC)[C@](O)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O ZINC000082052680 JJ Annotated Anodyne CCOP(=O)(OCC)[C@@](O)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O ZINC000082052682 JJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Br)cc3)C(=O)[C@@]12C ZINC000082052720 JJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Br)cc3)C(=O)[C@]12C ZINC000082052722 JJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000082052731 JJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000082052732 JJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000082052734 JJ Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(Cl)c3)C(=O)[C@]12C ZINC000082052737 JJ Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 ZINC000082053214 JJ Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 ZINC000082053216 JJ Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)c2c(C)nn(-c3ccc(Cl)cc3)c2NC(=O)[C@@H]1C#N ZINC000082053272 JJ Annotated Mild CCOP(=O)(OCC)[C@@]1(C(F)(F)F)c2c(C)nn(-c3ccc(Cl)cc3)c2NC(=O)[C@@H]1C#N ZINC000082053274 JJ Annotated Mild CCOP(=O)(OCC)[C@]1(C(F)(F)F)c2c(C)nn(-c3ccc(Cl)cc3)c2NC(=O)[C@H]1C#N ZINC000082053275 JJ Annotated Mild CCOP(=O)(OCC)[C@@]1(C(F)(F)F)c2c(C)nn(-c3ccc(Cl)cc3)c2NC(=O)[C@H]1C#N ZINC000082053277 JJ Annotated Mild CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000082053296 JJ Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000082053299 JJ Annotated Reactive CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl ZINC000082053301 JJ Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl ZINC000082053303 JJ Annotated Reactive CCCN1C/C(=C\c2ccc(N(C)C)cc2)C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1 ZINC000082055859 JJ Annotated Clean CCCN1C/C(=C\c2ccc(N(C)C)cc2)C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000082055860 JJ Annotated Clean CCCN(CC1CC1)c1nc(NCCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065853 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065863 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065883 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065884 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065885 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065909 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065941 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065970 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065976 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065977 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065978 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066004 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066024 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066046 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066052 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066053 JJ Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066054 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066058 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066109 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066117 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066118 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066119 JJ Annotated Anodyne CCCCN(CC)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066152 JJ Annotated Anodyne CCCCN(CC)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066171 JJ Annotated Anodyne C=CCN(CC=C)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066222 JJ Annotated Mild COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066316 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066323 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066369 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066385 JJ Annotated Anodyne C=C(C)CN(CC)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066426 JJ Annotated Mild COc1ccc(Oc2nc(NCc3ccco3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066456 JJ Annotated Mild COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066465 JJ Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066466 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066618 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066632 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066634 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066636 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066643 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066655 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066656 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066658 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066715 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066736 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CC=CCC3)n2)cc1 ZINC000082066769 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066838 JJ Annotated Anodyne CCCCN(CC)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066935 JJ Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067063 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067111 JJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067135 JJ Annotated Anodyne CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccc(OC)c(OC)c2)n1 ZINC000082067303 JJ Annotated Anodyne CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccc(OC)c(OC)c2)n1 ZINC000082067304 JJ Annotated Anodyne COc1ccc(OC)c(CCNc2cncc(Oc3ccc(C)cc3-n3nc4ccccc4n3)n2)c1 ZINC000082068459 JJ Annotated Anodyne COc1cc(CCNc2cncc(Oc3ccc(C)cc3-n3nc4ccccc4n3)n2)cc(OC)c1 ZINC000082068468 JJ Annotated Anodyne COc1ccccc1CCNc1cncc(Oc2ccc(C)cc2-n2nc3ccccc3n2)n1 ZINC000082068486 JJ Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(C)cc3-n3nc4ccccc4n3)n2)c1OC ZINC000082068584 JJ Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccc(C)cc3-n3nc4ccccc4n3)n2)c1OC ZINC000082068593 JJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082069018 JJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082069019 JJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069494 JJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069495 JJ Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069708 JJ Annotated Anodyne COc1cccc(CNC(=O)c2ccc(CNC(=O)c3coc(-c4ccc(C)cc4)n3)cc2)c1OC ZINC000082069728 JJ Annotated Anodyne COc1cccc(CNC(=O)c2ccc(CNC(=O)c3coc(-c4ccccc4C)n3)cc2)c1OC ZINC000082069740 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cs1 ZINC000082069770 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCC(C)(C)N(C)C)cc2)cs1 ZINC000082069917 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCCCN(C)C)cc2)cs1 ZINC000082069918 JJ Annotated Anodyne CCCCOC(=O)COC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3OCC)n2)cc1 ZINC000082069919 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCc3ccccn3)cc2)cs1 ZINC000082069924 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCCC2=CCCCC2)C(C)C)cs1 ZINC000082070056 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCCC2=CCCCC2)C(C)C)cs1 ZINC000082070057 JJ Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCCCC1 ZINC000082070735 JJ Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCCCC1 ZINC000082070736 JJ Annotated Anodyne CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070901 JJ Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070902 JJ Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccccc2)n1 ZINC000082071313 JJ Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccccc2)n1 ZINC000082071314 JJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccco2)co1 ZINC000082071409 JJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccco2)co1 ZINC000082071410 JJ Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000082071436 JJ Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000082071439 JJ Annotated Anodyne CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071571 JJ Annotated Anodyne CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071574 JJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082071678 JJ Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082071679 JJ Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071717 JJ Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071718 JJ Annotated Mild Cc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082071723 JJ Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082071729 JJ Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071771 JJ Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071773 JJ Annotated Mild Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)co1 ZINC000082071780 JJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)co1 ZINC000082071781 JJ Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NCC1CCCCC1 ZINC000082072024 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCCC2=CCCCC2)cs1 ZINC000082072923 JJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)cs1 ZINC000082072925 JJ Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073556 JJ Annotated Mild CCC#CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073558 JJ Annotated Mild CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074098 JJ Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000082074191 JJ Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000082074193 JJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCCC2=CCCCC2)co1 ZINC000082074239 JJ Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCC2=CCCCC2)co1 ZINC000082074240 JJ Annotated Anodyne O=C(N[C@H](CO)COCc1ccccc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074324 JJ Annotated Anodyne O=C(N[C@@H](CO)COCc1ccccc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074326 JJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccccc2N)cs1 ZINC000082074761 JJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccco2)cs1 ZINC000082074769 JJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082075090 JJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCCCCN(C)C)cs1 ZINC000082075092 JJ Annotated Anodyne CCCCOC(=O)COC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082075094 JJ Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCCc2ccccn2)cs1 ZINC000082075106 JJ Annotated Anodyne COc1cc(/N=C(\O)Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)cc(OC)c1OC ZINC000082078405 JJ Annotated Mild COc1cc(/N=C(\O)Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)cc(OC)c1OC ZINC000082078407 JJ Annotated Mild COc1cc(-c2cnc3c(/N=C/O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)cc(OC)c1OC ZINC000082078417 JJ Annotated Mild CS(=O)(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)cc1 ZINC000082078664 JJ Annotated Anodyne COc1cc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)cc(OC)c1OC ZINC000082078667 JJ Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081147 JJ Annotated Bother O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081148 JJ Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)cs2)c1 ZINC000082081219 JJ Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)cs2)c1 ZINC000082081220 JJ Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081265 JJ Annotated Bother O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081266 JJ Annotated Bother CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081536 JJ Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081537 JJ Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082081666 JJ Annotated Bother O=C(NCC1CCCCC1)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082081670 JJ Annotated Bother O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000082081677 JJ Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081726 JJ Annotated Bother O=C(NCC1CCCCC1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000082081730 JJ Annotated Bother O=C(NCc1ccco1)c1ccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)cc1 ZINC000082081738 JJ Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081788 JJ Annotated Anodyne CNc1nc2cnc(Nc3cccc(C(F)(F)F)c3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082081892 JJ Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082081933 JJ Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082081982 JJ Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)NCCC3=CCCCC3)C(C)C)cs2)c1 ZINC000082082059 JJ Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)NCCC3=CCCCC3)C(C)C)cs2)c1 ZINC000082082061 JJ Annotated Anodyne CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082082062 JJ Annotated Anodyne COc1ccc(CNc2nc3cnc(Nc4cccc(C(F)(F)F)c4)cc3n2C)cc1OC ZINC000082082064 JJ Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082103 JJ Annotated Anodyne COc1ccc(CNc2nc3cnc(Nc4ccc(C(F)(F)F)cc4)cc3n2C)cc1OC ZINC000082082107 JJ Annotated Anodyne CN(C)CC/N=C(\O)c1cccc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1 ZINC000082082551 JJ Annotated Mild CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1 ZINC000082082717 JJ Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1 ZINC000082082719 JJ Annotated Bother COc1ccc(CNc2nc3cnc(Nc4cccc(OC(F)(F)F)c4)cc3n2C)cc1OC ZINC000082082871 JJ Annotated Anodyne COc1ccc(CNc2nc3cnc(Nc4ccc(OC(F)(F)F)cc4)cc3n2C)cc1OC ZINC000082082941 JJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082083295 JJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082083300 JJ Annotated Anodyne Cn1c(-c2cccc(C(F)(F)F)c2)cc2cnc(Nc3cccc(NS(C)(=O)=O)c3)cc21 ZINC000082083945 JJ Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(Nc2ccccc2)n1 ZINC000082084535 JJ Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(Nc2ccccc2)n1 ZINC000082084536 JJ Annotated Anodyne CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084552 JJ Annotated Bother CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084553 JJ Annotated Bother CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084618 JJ Annotated Bother CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084619 JJ Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cccs2)n1 ZINC000082084702 JJ Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cccs2)n1 ZINC000082084703 JJ Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 ZINC000082084726 JJ Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 ZINC000082084727 JJ Annotated Mild CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085675 JJ Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085716 JJ Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cccs2)n1 ZINC000082085916 JJ Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cccs2)n1 ZINC000082085917 JJ Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085948 JJ Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085949 JJ Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)co2)cc1 ZINC000082088082 JJ Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)co2)cc1 ZINC000082088083 JJ Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCc3ccco3)c2cc1OC ZINC000082118640 JJ Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000082119477 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@@](O)(C(C)C)CC[C@@]12C ZINC000082123375 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@@](O)(C(C)C)CC[C@@]12C ZINC000082123377 JJ Annotated Anodyne COc1cc2nc(NCCCCCO)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082125990 JJ Annotated Anodyne COc1cc2nc(NCCCn3ccnc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082126540 JJ Annotated Anodyne COc1ccccc1CCNc1nc(NCCCOC(C)C)nc2cc(OC)c(OC)cc12 ZINC000082128113 JJ Annotated Anodyne COc1cccc(CCNc2nc(NCCCOC(C)C)nc3cc(OC)c(OC)cc23)c1 ZINC000082128134 JJ Annotated Anodyne COc1ccccc1CCNc1nc(NCCCOC(C)C)c2cc(OC)c(OC)cc2n1 ZINC000082129290 JJ Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082129372 JJ Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082129373 JJ Annotated Anodyne COc1ccc(CCNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)cc1 ZINC000082129451 JJ Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000082129530 JJ Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000082129532 JJ Annotated Anodyne COC(=O)COc1c(Br)cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OC ZINC000082130383 JJ Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCCC(C)C)c2cc1OC ZINC000082130386 JJ Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000082130447 JJ Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCc3ccc(C)cc3)c2cc1OC ZINC000082130626 JJ Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCc3ccc(C)cc3)c2cc1OC ZINC000082130627 JJ Annotated Anodyne COc1ccc(CCNc2nc(NCCCOC(C)C)nc3cc(OC)c(OC)cc23)cc1 ZINC000082131569 JJ Annotated Anodyne CNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000082131731 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3)n2)cc1OC ZINC000082132606 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)cc1OC ZINC000082133330 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3)n2)cc1OC ZINC000082133331 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)cc1OC ZINC000082133332 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3ccccc3)n2)cc1OC ZINC000082133348 JJ Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134498 JJ Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134503 JJ Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134509 JJ Annotated Bother CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134695 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134723 JJ Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134728 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134731 JJ Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000082134776 JJ Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135041 JJ Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135328 JJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135330 JJ Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135332 JJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135333 JJ Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135341 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135342 JJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135580 JJ Annotated Bother CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135631 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135696 JJ Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135697 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135700 JJ Annotated Bother CC1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135714 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135724 JJ Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135727 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135728 JJ Annotated Bother CC1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135780 JJ Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135817 JJ Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135819 JJ Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135821 JJ Annotated Bother COc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135825 JJ Annotated Bother COc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135826 JJ Annotated Bother COc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135827 JJ Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082135844 JJ Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@H](C)CC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135857 JJ Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@@H](C)CC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135858 JJ Annotated Bother CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135878 JJ Annotated Bother CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135879 JJ Annotated Bother COc1ccccc1CCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136034 JJ Annotated Bother COc1ccccc1CCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136035 JJ Annotated Bother COc1ccccc1CCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136036 JJ Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136106 JJ Annotated Bother COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCCCOC(C)C)c2cc1OC ZINC000082137121 JJ Annotated Anodyne COc1cccc(CCNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)c1 ZINC000082137188 JJ Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 ZINC000082139288 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139312 JJ Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 ZINC000082139928 JJ Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)cc1 ZINC000082140091 JJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000082140272 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082140737 JJ Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 ZINC000082140836 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(F)cc3)n2)C1 ZINC000082140860 JJ Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(F)cc3)n2)C1 ZINC000082140863 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(F)cc3)n2)C1 ZINC000082140865 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccco3)n2)cc1OC ZINC000082141903 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)cc1OC ZINC000082141905 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccco3)n2)cc1OC ZINC000082141908 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)cc1OC ZINC000082141911 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)NCC3CCCCC3)c(-c3ccco3)n2)cc1OC ZINC000082141973 JJ Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccco3)n2)cc1OC ZINC000082142171 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccco3)n2)cc1OC ZINC000082142454 JJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000082143232 JJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000082143233 JJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000082143235 JJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000082143238 JJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000082143295 JJ Annotated Anodyne COc1cc(-c2nc(NCC3CC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000082143322 JJ Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000082143446 JJ Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000082143447 JJ Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000082143450 JJ Annotated Anodyne COc1cc(-c2nc(N3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000082143496 JJ Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143654 JJ Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143655 JJ Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143658 JJ Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143659 JJ Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)cc(OC)c1OC ZINC000082143725 JJ Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143786 JJ Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143788 JJ Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143790 JJ Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143792 JJ Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143968 JJ Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143970 JJ Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N2CCC(C)CC2)cc(OC)c1OC ZINC000082144137 JJ Annotated Anodyne CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144727 JJ Annotated Anodyne COc1cc(-c2nc(N3CCCC3)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000082144826 JJ Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000082144833 JJ Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 ZINC000082145498 JJ Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc(C)c2)n1 ZINC000082146289 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCCC3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082146480 JJ Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148005 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148188 JJ Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148191 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148195 JJ Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148291 JJ Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148295 JJ Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148514 JJ Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148901 JJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148905 JJ Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148907 JJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148909 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148968 JJ Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148972 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148976 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149448 JJ Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149451 JJ Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149452 JJ Annotated Bother CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000082149468 JJ Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149572 JJ Annotated Bother CC1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149629 JJ Annotated Bother COCCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NO[C@@]1(C)c1ccc(F)cc1 ZINC000082149743 JJ Annotated Anodyne COCCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NO[C@]1(C)c1ccc(F)cc1 ZINC000082149746 JJ Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082149748 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149765 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149766 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149769 JJ Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150042 JJ Annotated Bother [O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(NC3CCNCC3)nc2c1-c1c(F)cccc1F ZINC000082150373 JJ Annotated Anodyne O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1C2=O ZINC000082151312 JJ Annotated Reactive COC1=C(CC(C)(C)CNC(=O)c2ccc3ccccc3c2OC)C(=O)c2ccccc2C1=O ZINC000082151656 JJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F ZINC000082151918 JJ Annotated Anodyne CN1c2ccccc2S(=O)(=O)n2nc(-c3cccnc3Nc3ccc(Cl)cc3Cl)nc21 ZINC000082151987 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)cc1OC ZINC000082152432 JJ Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000082153713 JJ Annotated Anodyne CCCCCS(=O)(=O)NC(=O)CCc1cc(C(C)C)nn1Cc1ccc(Cl)cc1Cl ZINC000082154349 JJ Annotated Anodyne CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1 ZINC000082154706 JJ Annotated Anodyne Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl ZINC000082156470 JJ Annotated Clean Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl ZINC000082156476 JJ Annotated Clean CN(C)CCCCC(=O)Nc1ccc(N(C)C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000082157011 JJ Annotated Anodyne O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000082158301 JJ Annotated Bother O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000082158302 JJ Annotated Bother O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000082158303 JJ Annotated Bother O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000082158304 JJ Annotated Bother O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(F)cc1 ZINC000082158305 JJ Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(F)cc1 ZINC000082158306 JJ Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(F)cc1 ZINC000082158307 JJ Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(F)cc1 ZINC000082158308 JJ Annotated Anodyne Cc1cccc(CN(C(=O)c2ccc(-c3ccc(C#N)cc3)o2)c2ccc(N3CCNCC3)cc2)n1 ZINC000082158444 JJ Annotated Mild Cc1ccc(CNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082158693 JJ Annotated Mild COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000082158744 JJ Annotated Mild COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000082158745 JJ Annotated Mild COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000082158746 JJ Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N[C@H](C)CC)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158830 JJ Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N[C@@H](C)CC)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158831 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 ZINC000082159115 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 ZINC000082159116 JJ Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159154 JJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159194 JJ Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159286 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082159379 JJ Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082159380 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082159381 JJ Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159445 JJ Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159473 JJ Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(C#N)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159474 JJ Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082159591 JJ Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082159592 JJ Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082159593 JJ Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159748 JJ Annotated Mild C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159749 JJ Annotated Mild C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159751 JJ Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F ZINC000082159888 JJ Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2F)n1 ZINC000082159935 JJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3ccccc3F)n2)cc1OC ZINC000082160044 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccccc3)s2)c1 ZINC000082163050 JJ Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163667 JJ Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163668 JJ Annotated Bother Cc1oc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163698 JJ Annotated Bother CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163701 JJ Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163705 JJ Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163707 JJ Annotated Bother COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082163721 JJ Annotated Bother COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082163723 JJ Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000082163730 JJ Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000082163731 JJ Annotated Bother COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000082163736 JJ Annotated Bother COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000082163737 JJ Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082163764 JJ Annotated Bother COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163893 JJ Annotated Bother COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163896 JJ Annotated Bother CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000082164235 JJ Annotated Anodyne CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc1 ZINC000082164238 JJ Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)ccc1O ZINC000082164496 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164519 JJ Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164540 JJ Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164542 JJ Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164549 JJ Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164551 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164558 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164559 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccc(F)cc3)s2)c1 ZINC000082165009 JJ Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 ZINC000082165364 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccco3)s2)c1 ZINC000082165893 JJ Annotated Anodyne CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166518 JJ Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166592 JJ Annotated Anodyne COc1cc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166962 JJ Annotated Anodyne COc1cc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166966 JJ Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167028 JJ Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167125 JJ Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167127 JJ Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167131 JJ Annotated Anodyne CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167181 JJ Annotated Anodyne COc1cc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167227 JJ Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167276 JJ Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167284 JJ Annotated Anodyne CCCCCc1nc(-c2cnc(NCCOC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167308 JJ Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000082167325 JJ Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccccc1Br ZINC000082167544 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccccc1Br ZINC000082167545 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccccc1Br ZINC000082167546 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccccc1Br ZINC000082167547 JJ Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082172050 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082172053 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082172173 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082172175 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172200 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082172202 JJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082172458 JJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082172460 JJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082172461 JJ Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082172463 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082173152 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082173155 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082173159 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082173162 JJ Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173332 JJ Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173334 JJ Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082173667 JJ Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082173671 JJ Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082173675 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3cccc(C)c3)s2)c1 ZINC000082173884 JJ Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082174516 JJ Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174579 JJ Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174581 JJ Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082174641 JJ Annotated Bother COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174851 JJ Annotated Bother COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174853 JJ Annotated Bother CC(=O)N1CCN(c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)CC1 ZINC000082175625 JJ Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)CC1 ZINC000082175638 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccccc3F)s2)c1 ZINC000082175663 JJ Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175694 JJ Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175698 JJ Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175728 JJ Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175731 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccccc3F)s2)cc1 ZINC000082175737 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccccc3F)s2)cc1 ZINC000082175739 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccccc3F)s2)c1 ZINC000082176094 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccccc3F)s2)cc1 ZINC000082176096 JJ Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@H](C(N)=O)C2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177434 JJ Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177435 JJ Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@H](C(N)=O)C2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177448 JJ Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177449 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccccc3C)s2)cc1 ZINC000082177452 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccccc3C)s2)cc1 ZINC000082177453 JJ Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccccc3C)s2)c1 ZINC000082177685 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccccc3C)s2)cc1 ZINC000082177686 JJ Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCN1CCCCC1 ZINC000082177874 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC(C)(C)O2 ZINC000082177945 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC(C)(C)O2 ZINC000082177947 JJ Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC(C)C)ncnc21 ZINC000082178008 JJ Annotated Anodyne CC(C)CNc1ncnc2c1nc(CCc1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082178072 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178224 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC(C)(C)O2 ZINC000082178227 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC(C)(C)O2 ZINC000082178229 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082178240 JJ Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178276 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178294 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082178333 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178420 JJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082178518 JJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178736 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccnc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178865 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178886 JJ Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082178971 JJ Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082178972 JJ Annotated Anodyne CC(C)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCCN1CCCC1=O ZINC000082179010 JJ Annotated Anodyne CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179067 JJ Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082179102 JJ Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179146 JJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179165 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082179166 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179170 JJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179204 JJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179218 JJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179300 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179441 JJ Annotated Anodyne COc1cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082179459 JJ Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCc2ccccn2)c1 ZINC000082179477 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179499 JJ Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179502 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179515 JJ Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179525 JJ Annotated Clean O=C(OCCCCn1c(-c2ccoc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179563 JJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)c1 ZINC000082179565 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179572 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179573 JJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)c1 ZINC000082179622 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179631 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179632 JJ Annotated Anodyne CC(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179650 JJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(CCc2ccccc2)n3CCN2CCCCC2)c1 ZINC000082179652 JJ Annotated Anodyne CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179696 JJ Annotated Anodyne CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O ZINC000082179725 JJ Annotated Anodyne COc1cc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082179791 JJ Annotated Anodyne Oc1cccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)c1 ZINC000082179806 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179809 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179810 JJ Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179836 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179847 JJ Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179859 JJ Annotated Clean O=C(OCCCCn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000082179886 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179909 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179968 JJ Annotated Anodyne CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179984 JJ Annotated Anodyne CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180059 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCN2CCCCC2)cc1 ZINC000082180112 JJ Annotated Anodyne COc1cc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082180126 JJ Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180170 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCN2CCCCC2)cc1 ZINC000082180185 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCc2ccccn2)cc1 ZINC000082180190 JJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180235 JJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180254 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082180271 JJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082180361 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180393 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180395 JJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180571 JJ Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180573 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCN2CCCCC2)cc1 ZINC000082180582 JJ Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCc2ccccn2)ccc1O ZINC000082180611 JJ Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCc2ccccn2)c1 ZINC000082180631 JJ Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000082180632 JJ Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000082180633 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180635 JJ Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180637 JJ Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180676 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCc2ccccn2)cc1 ZINC000082180696 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180763 JJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccsc1)n2CCN1CCCCC1 ZINC000082180766 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180774 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180776 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180809 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180812 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180814 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082180816 JJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccs1)n2CCN1CCCCC1 ZINC000082180849 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180860 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180861 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180862 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180863 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180864 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082180865 JJ Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180892 JJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(CCc1ccccc1)n2CCN1CCCCC1 ZINC000082180895 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180906 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180907 JJ Annotated Anodyne CC(C)c1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180968 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000082181258 JJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC1(CCCCC1)O2 ZINC000082181259 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082181510 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181848 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181849 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccc(OC)c(OC)c1)CC1(CCCCC1)O2 ZINC000082181884 JJ Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccc(OC)c(OC)c1)CC1(CCCCC1)O2 ZINC000082181885 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184782 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082184809 JJ Annotated Anodyne Oc1cccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCN2CCCCC2)c1 ZINC000082184839 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184999 JJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082185078 JJ Annotated Anodyne CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082185244 JJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185330 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082185377 JJ Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000082185404 JJ Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000082185410 JJ Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082185436 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082185560 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082185565 JJ Annotated Anodyne O=C(OCCCCn1c(-c2cccnc2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082185641 JJ Annotated Anodyne O=C1CCCN1CCCn1c(C2CCCCC2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185718 JJ Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082185834 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185853 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185855 JJ Annotated Anodyne CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082185955 JJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186172 JJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCCOC(=O)C(F)(F)F ZINC000082186236 JJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCN1CCCC1=O ZINC000082186393 JJ Annotated Clean CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCCCOC(=O)C(F)(F)F ZINC000082186600 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082187021 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000082187026 JJ Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000082187030 JJ Annotated Anodyne C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082187037 JJ Annotated Anodyne C[C@H](Cc1nc2c(NCC3CC3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082187039 JJ Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082187047 JJ Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)c1 ZINC000082187075 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187124 JJ Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187155 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082187171 JJ Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187196 JJ Annotated Clean Fc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)cc1 ZINC000082187255 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187267 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187269 JJ Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)cc1 ZINC000082187369 JJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187387 JJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187390 JJ Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187429 JJ Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082187550 JJ Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082187601 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082187699 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082187701 JJ Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082187779 JJ Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082187781 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187838 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187840 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187866 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187868 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187871 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187874 JJ Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187983 JJ Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187984 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188149 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188152 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188263 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188266 JJ Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082188414 JJ Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCN2CCCC2=O)o1 ZINC000082188417 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188479 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188481 JJ Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188662 JJ Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188663 JJ Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188665 JJ Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188666 JJ Annotated Anodyne CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188774 JJ Annotated Anodyne CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082188776 JJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CC1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188897 JJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CC1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188900 JJ Annotated Anodyne COCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189017 JJ Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189065 JJ Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189162 JJ Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189261 JJ Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189325 JJ Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCNC(C)=O ZINC000082189435 JJ Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189503 JJ Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189535 JJ Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189576 JJ Annotated Anodyne COCCn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189594 JJ Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189702 JJ Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189748 JJ Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189792 JJ Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCNC(C)=O ZINC000082189907 JJ Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189968 JJ Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190079 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190110 JJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082190501 JJ Annotated Anodyne O=C(OCCCCn1c(-c2cccnc2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082190634 JJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2CCc2ccccc2F)cc1Cl ZINC000082190876 JJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2cccc(Cl)c2)c(C)c1 ZINC000082190914 JJ Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccc(F)cc1 ZINC000082190952 JJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCCc2ccccc2)c(C)c1 ZINC000082191056 JJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2Cc2ccccc2Cl)c(C)c1 ZINC000082191274 JJ Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2C(C)C)cc1 ZINC000082191499 JJ Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2C(C)C)cc1 ZINC000082191501 JJ Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2C(C)C)c1 ZINC000082191506 JJ Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2CC(C)C)cc1 ZINC000082191606 JJ Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)NCc4cccc(C(N)=O)c4)ccc3n2CC(C)C)c1 ZINC000082191609 JJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2Cc2ccccc2Cl)cc1C ZINC000082191717 JJ Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2cccc(Cl)c2)cc1C ZINC000082191801 JJ Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000082192321 JJ Annotated Bother N#CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082192573 JJ Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082192578 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082192581 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082192584 JJ Annotated Mild CSCC[C@H](Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192850 JJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192856 JJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193283 JJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193286 JJ Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194529 JJ Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194531 JJ Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCc3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000082195343 JJ Annotated Bother CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082195357 JJ Annotated Bother COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCc3ccc(F)cc3)n2)c(OC)c1 ZINC000082195450 JJ Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](CCSC)C(=O)NCc3ccc(F)cc3)n2)c1 ZINC000082195452 JJ Annotated Anodyne CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195468 JJ Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCCCOC(C)C ZINC000082195632 JJ Annotated Bother CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCCOc1ccccc1 ZINC000082195649 JJ Annotated Bother COc1ccc(OC)c(-c2csc(NCc3ccc(C(=O)NCCCOC(C)C)cc3)n2)c1 ZINC000082195784 JJ Annotated Anodyne O=C(c1ccccc1C(F)(F)F)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196082 JJ Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc2ccccc2c1)C3 ZINC000082196156 JJ Annotated Anodyne CCCC[C@@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196211 JJ Annotated Anodyne CCCC[C@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196212 JJ Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1)c1ccccc1 ZINC000082196213 JJ Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1)c1ccccc1 ZINC000082196214 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000082196493 JJ Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000082196494 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082196611 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082196612 JJ Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082196722 JJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2CCCCOC(=O)C(F)(F)F ZINC000082196791 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082197211 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082197212 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082197213 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082197215 JJ Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082197287 JJ Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197309 JJ Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197310 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197311 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082197312 JJ Annotated Mild CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082197392 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197446 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197447 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197448 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197449 JJ Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197478 JJ Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197479 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197480 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197481 JJ Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000082197521 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000082197522 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000082197523 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000082197524 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000082197782 JJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082197799 JJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082197800 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198108 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198109 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198110 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198111 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198344 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198345 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198346 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198347 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198387 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198388 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198389 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198390 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198498 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198499 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198500 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198501 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198506 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198507 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198508 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198509 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198760 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198761 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198762 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198763 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082199029 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082199030 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082199031 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082199032 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199080 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199081 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199082 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199083 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199584 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199585 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199586 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCOc2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199587 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200331 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200333 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200335 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082200337 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082204552 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 ZINC000082204963 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082204981 JJ Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000082204992 JJ Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000082205116 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205137 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205148 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205273 JJ Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205456 JJ Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082205465 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082205572 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205650 JJ Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205664 JJ Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000082205667 JJ Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H]2CCCC[C@H]2N3)c1 ZINC000082205669 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205772 JJ Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205774 JJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205775 JJ Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205777 JJ Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082205781 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205899 JJ Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000082205910 JJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206302 JJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206305 JJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206336 JJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206338 JJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206572 JJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206574 JJ Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C(C)C)N2 ZINC000082206587 JJ Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206589 JJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206593 JJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206595 JJ Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082206597 JJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206665 JJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206667 JJ Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206801 JJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206864 JJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206866 JJ Annotated Anodyne C[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206931 JJ Annotated Anodyne C[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206934 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207257 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207260 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207282 JJ Annotated Clean CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207285 JJ Annotated Clean CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207322 JJ Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207324 JJ Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207588 JJ Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207590 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207609 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207614 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207618 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082207624 JJ Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207970 JJ Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207972 JJ Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208392 JJ Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082208440 JJ Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000082208732 JJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082208809 JJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082208812 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208823 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208824 JJ Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208832 JJ Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208833 JJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208836 JJ Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208838 JJ Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208847 JJ Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208849 JJ Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208862 JJ Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208865 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082209065 JJ Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082209088 JJ Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082209089 JJ Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209112 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209153 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209155 JJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209461 JJ Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209463 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209599 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209604 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082209736 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082209738 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082209742 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082209746 JJ Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2)c1ccco1 ZINC000082209882 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210158 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210161 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210164 JJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082210168 JJ Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210202 JJ Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210204 JJ Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082210306 JJ Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082210309 JJ Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082210312 JJ Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000082210315 JJ Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210549 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210551 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210554 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082210558 JJ Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210675 JJ Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210678 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210681 JJ Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210685 JJ Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000082210807 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000082210811 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000082210820 JJ Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211165 JJ Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211166 JJ Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211417 JJ Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211420 JJ Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211857 JJ Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211922 JJ Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211925 JJ Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000082212088 JJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082212141 JJ Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082212145 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082212519 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082212524 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082212527 JJ Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000082212530 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082213363 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082213364 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082213365 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000082213366 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213415 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213416 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213417 JJ Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1 ZINC000082213418 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213426 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213427 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213428 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213429 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCOCCCC ZINC000082213564 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCOCCCC ZINC000082213565 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCOCCCC ZINC000082213566 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCOCCCC ZINC000082213567 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082213662 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000082213663 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082213664 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000082213665 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082213723 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082213724 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000082213725 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082213732 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082213733 JJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082213734 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214151 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214152 JJ Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214153 JJ Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214154 JJ Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214211 JJ Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214212 JJ Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214213 JJ Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082214214 JJ Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082214772 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082214774 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082214775 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082214778 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082214852 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214875 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214877 JJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214878 JJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082216404 JJ Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082216653 JJ Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082216972 JJ Annotated Bother CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082216974 JJ Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000082217005 JJ Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(C#N)cc1 ZINC000082217206 JJ Annotated Mild CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218528 JJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218530 JJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218532 JJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218534 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219229 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219234 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082219235 JJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082219454 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082219457 JJ Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082219634 JJ Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219646 JJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219648 JJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219653 JJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082219655 JJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082220227 JJ Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082220229 JJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082220231 JJ Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082220233 JJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC ZINC000082220424 JJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCSC ZINC000082220427 JJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCSC ZINC000082220429 JJ Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCSC ZINC000082220432 JJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082221470 JJ Annotated Bother Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082221504 JJ Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082221505 JJ Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082221775 JJ Annotated Clean O=C(OCCCCn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082221896 JJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082222726 JJ Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082222764 JJ Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC3CCCCC3)n2)cc1[N+](=O)[O-] ZINC000082222833 JJ Annotated Bother CCCC[C@@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222876 JJ Annotated Anodyne CCCC[C@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222877 JJ Annotated Anodyne O=C(c1ccc2ccccc2c1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222878 JJ Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1)c1ccccc1 ZINC000082222879 JJ Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1)c1ccccc1 ZINC000082222880 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1CC1CCCCC1)C[C@H](Cc1ccccc1)N2 ZINC000082224125 JJ Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082224199 JJ Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082224429 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082224445 JJ Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082224447 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224455 JJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224456 JJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000082224932 JJ Annotated Anodyne O=C1[C@@H]2[C@H]3c4ccccc4[C@@H]([C@@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1)N1C=CC=C[C@H]31 ZINC000082230499 JJ Annotated Anodyne O=C1[C@H]2[C@H]3c4ccccc4[C@@H]([C@@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1)N1C=CC=C[C@H]31 ZINC000082230500 JJ Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc(Cl)c1O ZINC000082230764 JJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3C[C@@H](C)[C@@H](C(=O)OC)C(O)=C32)cc(Cl)c1O ZINC000082230765 JJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000082230782 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000082230783 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000082230784 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000082230785 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000082230802 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000082230803 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000082230888 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000082230889 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000082230890 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000082230891 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000082230942 JJ Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000082230943 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000082231030 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)c(OC)c1 ZINC000082231031 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000082231032 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)c(OC)c1 ZINC000082231033 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)ccc1OC ZINC000082231034 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cc(OC)ccc1OC ZINC000082231035 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)ccc1OC ZINC000082231036 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cc(OC)ccc1OC ZINC000082231037 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1 ZINC000082231046 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1 ZINC000082231047 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000082231048 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1 ZINC000082231049 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)cc1 ZINC000082231054 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(O)cc1 ZINC000082231055 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000082231056 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(O)cc1 ZINC000082231057 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(Cl)cc1 ZINC000082231062 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@H]2c1ccc(Cl)cc1 ZINC000082231063 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(Cl)cc1 ZINC000082231064 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OCCOC(C)C)[C@@H]2c1ccc(Cl)cc1 ZINC000082231065 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000082231110 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(OC)c(O)c1 ZINC000082231111 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000082231112 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(OC)c(O)c1 ZINC000082231113 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1OC ZINC000082231153 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(OC)cc1OC ZINC000082231154 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1OC ZINC000082231155 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(OC)cc1OC ZINC000082231156 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000082231193 JJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000082231194 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000082231259 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc2c(c1)OCO2 ZINC000082231260 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000082231261 JJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000082231262 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000082231273 JJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000082231274 JJ Annotated Mild CCOC(=O)Cc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231673 JJ Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231679 JJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231716 JJ Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231717 JJ Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]1(O)C(=O)C2=C(C(=O)[C@@]1(Cl)CC=C(C)C)C(O)=C(C)C(=O)C2=[N+]=[N-] ZINC000083924497 JJ Annotated Mild in-vitro CC(C)=CCC/C(C)=C\C[C@@]1(O)C(=O)C2=C(C(=O)[C@@]1(Cl)CC=C(C)C)C(O)=C(C)C(=O)C2=[N+]=[N-] ZINC000083924502 JJ Annotated Mild in-vitro CC(C)=CCC/C(C)=C/C[C@]1(O)C(=O)C2=C(C(=O)[C@@]1(Cl)CC=C(C)C)C(O)=C(C)C(=O)C2=[N+]=[N-] ZINC000083924504 JJ Annotated Mild in-vitro CC(C)=CCC/C(C)=C\C[C@]1(O)C(=O)C2=C(C(=O)[C@@]1(Cl)CC=C(C)C)C(O)=C(C)C(=O)C2=[N+]=[N-] ZINC000083924506 JJ Annotated Mild in-vitro C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)C[C@@]23C(=C[C@H](OC)C[C@@H]12)C(=O)O[C@H]3OC(C)=O ZINC000084153917 JJ Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(C)C[C@H]2[C@]3(C)CC[C@@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C)C(=O)[C@@H]1O ZINC000084154108 JJ Annotated Mild in-vitro biogenic C=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(OCC=C)c(OCC=C)c1)[C@H](OCC=C)C2=O ZINC000084428502 JJ Annotated Mild C=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OCC=C)c(OCC=C)c1)[C@H](OCC=C)C2=O ZINC000084428504 JJ Annotated Mild C=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(OCC=C)c(OCC=C)c1)[C@@H](OCC=C)C2=O ZINC000084428508 JJ Annotated Mild C=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OCC=C)c(OCC=C)c1)[C@@H](OCC=C)C2=O ZINC000084428510 JJ Annotated Mild N#Cc1ccc(CN(Cc2cc(-c3ccccc3Cl)on2)[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 ZINC000084462472 JJ Annotated Mild N#Cc1ccc(CN(Cc2cc(-c3ccccc3Cl)on2)[C@H](Cc2ccc(O)cc2)C(N)=O)cc1 ZINC000084462473 JJ Annotated Mild COc1cc(-c2cn(CC(=O)N(c3ccccc3)c3ccccc3)nn2)ccc1-n1cnc(C)c1 ZINC000084586557 JJ Annotated Anodyne CC1(C(=O)N2CCC(c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000084586997 JJ Annotated Anodyne COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nc(C)cc(Cl)n3)nc3ccccc32)cc1 ZINC000084587053 JJ Annotated Anodyne COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nc(C)cc(Cl)n3)nc3ccccc32)cc1 ZINC000084587057 JJ Annotated Anodyne Nc1ncc(/C=C\C(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12 ZINC000084587273 JJ Annotated Anodyne CN(C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1)C1CCCCCC1 ZINC000084587703 JJ Annotated Anodyne O=C(N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1)N(C1CCCCC1)C1CC1 ZINC000084587720 JJ Annotated Anodyne O=C(CC[n+]1ccccc1)Nc1ccc(/C=C2\CCCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000084596506 JJ Annotated Anodyne Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)N[C@H]4C[C@@H]4c4ccccc4)cc3)c2c1 ZINC000084596587 JJ Annotated Anodyne CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@H]1O)[C@@H]1CC=C(C)CC1 ZINC000084596829 JJ Annotated Anodyne COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000084596970 JJ Annotated Anodyne COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000084596971 JJ Annotated Anodyne COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000084596972 JJ Annotated Anodyne COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000084596973 JJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(OC(F)(F)F)ccc2n1Cc1cc(F)ccc1F ZINC000084597154 JJ Annotated Anodyne N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N ZINC000084602073 JJ Annotated Mild O=C(O)CCc1csc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)n1 ZINC000084602220 JJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3n(CCc3ccccc3)c2=O)c1F ZINC000084602975 JJ Annotated Anodyne O=C(Nc1ccc(-c2nnc(NCCCCN3CCC(F)CC3)o2)cc1)c1ccccc1F ZINC000084603125 JJ Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)Nc2ccnnc2)cc1C ZINC000084603178 JJ Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)Nc2cncnc2)cc1C ZINC000084603184 JJ Annotated Clean O=C(O)Cc1ccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1 ZINC000084604277 JJ Annotated Anodyne CC(C)c1ccc(NC(=O)c2cnccc2C(F)(F)F)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084604960 JJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1cc(F)ccc1F ZINC000084605252 JJ Annotated Anodyne CC(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084614566 JJ Annotated Anodyne CC(=O)OCc1cc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c2ccccc2n1 ZINC000084614658 JJ Annotated Anodyne CC(=O)OCc1cc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c2ccccc2n1 ZINC000084614660 JJ Annotated Anodyne CC(C)n1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000084615746 JJ Annotated Anodyne O=[N+]([O-])c1ccc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000084615873 JJ Annotated Mild COC(=O)c1ccc2[nH]cc(C3(c4c[nH]c5ccc(C(=O)OC)cc45)C(=O)Nc4ccccc43)c2c1 ZINC000084617470 JJ Annotated Anodyne Cc1cccc(-c2noc([C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c2Br)c1C ZINC000084618452 JJ Annotated Anodyne Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C(C)C)n2Cc1cc(F)ccc1F ZINC000084618815 JJ Annotated Mild O=C(CC(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084619548 JJ Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/CCCC[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000084619700 JJ Annotated Anodyne CC(C)c1ccc(NC(=O)c2cccnc2C(F)(F)F)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084619913 JJ Annotated Anodyne O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084632068 JJ Annotated Anodyne C=C(C)C(=O)[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084632086 JJ Annotated Anodyne O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3nnc4ccccc43)c3ccc(F)cc3)n2)cc1 ZINC000084632173 JJ Annotated Mild COc1cc(-c2cn(CC(=O)N(Cc3ccccc3)Cc3ccccc3)nn2)ccc1-n1cnc(C)c1 ZINC000084633024 JJ Annotated Anodyne CCN(CC)CCC(=O)Nc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000084633322 JJ Annotated Anodyne CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C1CCCCCC1 ZINC000084633539 JJ Annotated Anodyne COc1ccc(-n2c(S(=O)(=O)[C@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084634100 JJ Annotated Anodyne COc1ccc(-n2c(S(=O)(=O)[C@@H](C)C(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 ZINC000084634102 JJ Annotated Anodyne COc1ccc(C(=O)c2cc(NC(=O)c3cc4ccccc4s3)ccc2NC(=O)C(=O)O)cc1F ZINC000084634161 JJ Annotated Anodyne COc1ccc(C(=O)c2cc(NC(=O)c3csc4ccccc34)ccc2NC(=O)C(=O)O)cc1F ZINC000084634163 JJ Annotated Anodyne Cc1c(F)ccc(F)c1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084634315 JJ Annotated Anodyne Cc1c(F)cc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cc1F ZINC000084634317 JJ Annotated Anodyne Cc1c(F)cc(F)cc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084634319 JJ Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4C(=O)C=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084634384 JJ Annotated Anodyne O=C(N[C@H](C(=O)O)c1ccccc1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084634757 JJ Annotated Anodyne C/C(C=O)=C\[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084635120 JJ Annotated Reactive CC(C)(O)C[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084635122 JJ Annotated Anodyne CC(C)=C[C@@H]1O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@H]2[C@@](C)(O)[C@@H]1O ZINC000084635907 JJ Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCc2ccccc2C1 ZINC000084636081 JJ Annotated Anodyne C=C(C)[C@H](O)[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084636090 JJ Annotated Mild C=C(C)[C@@H](O)[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 ZINC000084636091 JJ Annotated Mild C/C(=C\[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1)CO ZINC000084636094 JJ Annotated Anodyne CCC(O)(CC)CS[C@@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(C)(O)[C@H](O)C3)CCC[C@]12C ZINC000084641210 JJ Annotated Anodyne CCC(O)(CC)CS[C@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(OCCO)[C@H](O)C3)CCC[C@]12C ZINC000084641270 JJ Annotated Anodyne COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cc1 ZINC000084651964 JJ Annotated Anodyne C=C(c1ccc(Br)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084652858 JJ Annotated Reactive C=C(c1ccc(Br)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084652859 JJ Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084652860 JJ Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000084652861 JJ Annotated Reactive CN(C)CCCNc1nc(N/N=C/c2nccn2Cc2cccc(Cl)c2Cl)nc2ccccc12 ZINC000084653123 JJ Annotated Mild Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12 ZINC000084653476 JJ Annotated Anodyne COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000084653541 JJ Annotated Bother COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)c3ccc(OC)cc3)cc2C1 ZINC000084653542 JJ Annotated Anodyne COc1c(Cl)cc([C@@H]2C(C(=O)O)=CNC=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084653625 JJ Annotated Anodyne COc1c(Cl)cc([C@H]2C(C(=O)O)=CNC=C2C(=O)OC/C=C/c2ccccc2)cc1Cl ZINC000084653626 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](NC2=NC(=O)/C(=C/c3ccccc3Cl)S2)C(C)C)cc1 ZINC000084653807 JJ Annotated Mild C=C(C)[C@@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(CC=C(C)C)c1O ZINC000084654011 JJ Annotated Mild C=C(C)[C@H](O)Cc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc(CC=C(C)C)c1O ZINC000084654012 JJ Annotated Mild COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000084668493 JJ Annotated Anodyne CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O ZINC000084668518 JJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(C(C)=O)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084669071 JJ Annotated Mild CSc1ccccc1Nc1nc(N2CCC3(CCNCC3)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084669235 JJ Annotated Anodyne CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084669687 JJ Annotated Clean CN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084669688 JJ Annotated Clean Cc1ccc(C2=C(c3ccc(C)cc3)[C@H]3[C@@H](S(=O)(=O)Oc4ccc(O)cc4)C[C@@H]2[S@]3=O)cc1 ZINC000084670148 JJ Annotated Anodyne Cc1ccc(C2=C(c3ccc(C)cc3)[C@H]3[C@@H](S(=O)(=O)Oc4ccc(O)cc4)C[C@@H]2[S@@]3=O)cc1 ZINC000084670149 JJ Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(S(C)(=O)=O)ccc2c1=O ZINC000084670171 JJ Annotated Anodyne Clc1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc1 ZINC000084670411 JJ Annotated Mild O=C(N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1cnon1 ZINC000084670450 JJ Annotated Anodyne O=C(N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1)c1cnon1 ZINC000084670451 JJ Annotated Anodyne O=[N+]([O-])c1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2-c2ccccc2S(=O)(=O)N3)cc1 ZINC000084670573 JJ Annotated Bother CCCCNC(=O)c1cc(NC(=O)CN2CCCCC2)ccc1OC12CC3CC(CC(C3)C1)C2 ZINC000084670900 JJ Annotated Anodyne Clc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084671389 JJ Annotated Mild COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)O)nn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084671597 JJ Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CNC(C)=O)[C@H]4OC(C)=O ZINC000084671816 JJ Annotated Anodyne CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-c5cncc6ccccc56)c4)[nH]c3c2)CC1 ZINC000084672342 JJ Annotated Anodyne CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccc(Br)cc2c1=O ZINC000084687208 JJ Annotated Anodyne CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2cc(Br)ccc2c1=O ZINC000084687209 JJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)cc(=O)n21 ZINC000084687328 JJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(Cc3csc4ccccc34)cc(=O)n21 ZINC000084687332 JJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000084687446 JJ Annotated Anodyne CCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687474 JJ Annotated Mild CCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084687475 JJ Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccccc5Br)c4[C@]2(CCN3C)CC1=O ZINC000084687531 JJ Annotated Mild CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000084687692 JJ Annotated Bother CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000084687693 JJ Annotated Bother COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cccc(Br)c5)c4[C@]2(CCN3C)CC1=O ZINC000084687850 JJ Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccc(Br)cc5)c4[C@]2(CCN3C)CC1=O ZINC000084687851 JJ Annotated Mild Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NC(=O)/C=C/c1cncnc1 ZINC000084687909 JJ Annotated Anodyne CC(C)[C@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN ZINC000084687941 JJ Annotated Anodyne CC(C)[C@@H]1c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)c(Cl)c3)n2CCN1C(=O)CN ZINC000084687942 JJ Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCNCCc4cccs4)c3)nc2)cn1 ZINC000084687997 JJ Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(OCc3cn(Cc4ccccc4)nn3)cc2O)n1 ZINC000084688447 JJ Annotated Anodyne CNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(-n2cc(-c3ccccc3)nn2)s1 ZINC000084688557 JJ Annotated Anodyne Cc1[nH]nc(N/N=C(\SC#N)C(=O)c2ccccc2)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084688596 JJ Annotated Reactive COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCN(C)Cc4ccccc4)c3)nc2)cn1 ZINC000084688640 JJ Annotated Anodyne CCOC(=O)c1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NCCCN(C)C)cc3)sc2c1 ZINC000084688815 JJ Annotated Anodyne C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)NC3CCCC3)CC(C)=C[C@H]2C1 ZINC000084689332 JJ Annotated Mild CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Br)c1O)C2=O ZINC000084689805 JJ Annotated Clean COCOC[C@@]12C=C[C@@H](C(C)(C)C(=O)OC)C[C@@H]1C=C(C)C[C@@H]2OC(=O)NC1CCCCC1 ZINC000084690000 JJ Annotated Anodyne CCCCCCn1cc(COc2ccc(-c3cc(-c4ccc(OC)cc4)nc(N)n3)c(O)c2)nn1 ZINC000084690285 JJ Annotated Anodyne C#CCOc1ccc(-c2cc(-c3ccc(OCc4cn(CCCCCC)nn4)cc3O)nc(N)n2)cc1 ZINC000084690287 JJ Annotated Mild CCSCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)CS1 ZINC000084690345 JJ Annotated Anodyne Nc1cc(-c2ccc(Cl)cc2)nn1-c1cccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000084690673 JJ Annotated Anodyne Nc1cc(-c2ccc(Cl)cc2)nn1-c1cccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000084690674 JJ Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Br)cc1)cn2C[C@H](O)CC(F)(F)F ZINC000084705214 JJ Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Br)cc1)cn2C[C@@H](O)CC(F)(F)F ZINC000084705216 JJ Annotated Anodyne Cn1cc(-c2c(COc3cccc4ccccc34)cc(=O)n3c2OC[C@H]3C(=O)O)c2ccccc21 ZINC000084705335 JJ Annotated Anodyne COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)c3ccccc3OC(C)=O)cc2C1 ZINC000084707044 JJ Annotated Anodyne CN(C)CCNc1nc(N/N=C/c2nccn2Cc2cccc(Cl)c2Cl)nc2ccccc12 ZINC000084709030 JJ Annotated Mild CC(C)N1C(=O)[C@H](CCCn2cnc3c(NCc4ccccc4)ncnc32)[C@H]1c1ccccc1F ZINC000084709425 JJ Annotated Anodyne O=C1Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc32)/C(O)=N/S(=O)(=O)C/C=C/CCN1 ZINC000084710237 JJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cn(Cc4ccccc4)nn3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000084711078 JJ Annotated Anodyne COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)COc3ccccc3)cc2C1 ZINC000084711583 JJ Annotated Anodyne CC(C)[C@@H]1CC(=O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)C1=C(C[C@@H]3O)C(C)(C)[C@@H](O)CC1 ZINC000084711697 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)C1=C(C[C@@H]3O)C(C)(C)[C@@H](O)CC1 ZINC000084714153 JJ Annotated Anodyne COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)Cc3ccccc3)cc2C1 ZINC000084724751 JJ Annotated Anodyne CN1C[C@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084726135 JJ Annotated Clean CN1C[C@@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084726139 JJ Annotated Clean Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cccc(C)c1F ZINC000084726504 JJ Annotated Mild CN1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084727374 JJ Annotated Clean CN1C[C@@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084727376 JJ Annotated Clean CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1(C)C ZINC000084729718 JJ Annotated Anodyne Cc1nn2c(N)c(-c3nc4ccccc4s3)nnc2c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084731041 JJ Annotated Clean COc1ccccc1N1CCN(c2cccc3c2nc(/C=C/c2ccncc2)n3C2CCNCC2)CC1 ZINC000084731284 JJ Annotated Anodyne COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCN(C)Cc4cccs4)c3)nc2)cn1 ZINC000084731355 JJ Annotated Anodyne CNC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 ZINC000084731580 JJ Annotated Anodyne CNC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 ZINC000084731583 JJ Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(C#N)nn23)c(OC)c1 ZINC000084731669 JJ Annotated Mild Cc1[nH]nc(N/N=C(\C#N)c2nc3ccccc3s2)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084732760 JJ Annotated Mild CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1OC12CC3CC(CC(C3)C1)C2 ZINC000084733604 JJ Annotated Anodyne N#Cc1ccc(C(=O)Cn2cc(COC(=O)CCN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084738862 JJ Annotated Mild N#Cc1cccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1 ZINC000084738887 JJ Annotated Mild N#Cc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1 ZINC000084738890 JJ Annotated Mild CN(C(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 ZINC000084739399 JJ Annotated Anodyne CN(C(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 ZINC000084739403 JJ Annotated Anodyne CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084739626 JJ Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(OC)nn23)c(OC)c1 ZINC000084740196 JJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4cccc([N+](=O)[O-])c4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740646 JJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4cccc([N+](=O)[O-])c4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000084740648 JJ Annotated Mild CC(C)OC(=O)OCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000084741101 JJ Annotated Anodyne COc1cc(C)cc(OC)c1-c1cccc2c(N(CC3CCOCC3)CC3CC3)c(OC)nn12 ZINC000084741404 JJ Annotated Anodyne Cc1ccc(C(=O)Cn2cc(CNC(=O)CCN3c4ccccc4Sc4ccccc43)nn2)cc1 ZINC000084757544 JJ Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)NCc1cn(CC(=O)c2ccc(F)cc2)nn1 ZINC000084757550 JJ Annotated Anodyne COc1cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC000084757663 JJ Annotated Anodyne O=C(CN1c2ccccc2Sc2ccccc21)NCc1cn(CC(=O)c2ccc(Cl)cc2)nn1 ZINC000084758003 JJ Annotated Anodyne O=C(CN1c2ccccc2Sc2ccccc21)OCc1cn(CC(=O)c2ccc(F)cc2)nn1 ZINC000084758328 JJ Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000084758424 JJ Annotated Mild COc1c(Cl)cccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1 ZINC000084758485 JJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CN1CCN(C)CC1 ZINC000084758801 JJ Annotated Mild O=C1COc2cccc(c2)OCC(=O)NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CN1 ZINC000084759224 JJ Annotated Anodyne C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000008582347 JJ Annotated Mild O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)NCc1ccccc1Cl ZINC000008583987 JJ Annotated Anodyne COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000008586243 JJ Annotated Anodyne COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000008586244 JJ Annotated Anodyne CCOc1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(Cl)cc43)CC2)cc1 ZINC000008588446 JJ Annotated Anodyne CCOc1ccc(NC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccc(Cl)cc43)CC2)cc1 ZINC000008588447 JJ Annotated Anodyne COc1cc(Cl)c(C)cc1NC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000008589000 JJ Annotated Anodyne COc1cc(Cl)c(C)cc1NC(=O)CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000008589001 JJ Annotated Anodyne COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)Nc5ccc(C)c(C)c5)C4)sc3n2)cc1 ZINC000008591083 JJ Annotated Anodyne COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5ccc(C)c(C)c5)C4)sc3n2)cc1 ZINC000008591086 JJ Annotated Anodyne Cc1nn(CCCC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000008593181 JJ Annotated Anodyne CCOc1ccccc1NC(=O)Cn1nc2c3cc(F)ccc3n(Cc3cccc(C)c3)cc-2c1=O ZINC000008593395 JJ Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4C)c3C3CCNCC3)CC2)c1C ZINC000008595246 JJ Annotated Anodyne CCN(CCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12)c1cccc(C)c1 ZINC000008596459 JJ Annotated Anodyne COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1ccc(OC(C)C)cc1)C2 ZINC000008598126 JJ Annotated Anodyne COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)o1 ZINC000008599677 JJ Annotated Anodyne CCOc1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(Cl)c4C)c32)cc1 ZINC000008604086 JJ Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4cc(Cl)ccc4OC)c32)cc1 ZINC000008604360 JJ Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(Br)cc4F)c32)cc1 ZINC000008604492 JJ Annotated Anodyne CCn1c(C(=O)N2CCC[C@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)cc2sccc21 ZINC000008605013 JJ Annotated Anodyne CCn1c(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)cc2sccc21 ZINC000008605015 JJ Annotated Anodyne CCn1c(C(=O)N2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)cc2sccc21 ZINC000008605040 JJ Annotated Anodyne COc1cc(OC)c(NC(=O)[C@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1Cl ZINC000008605088 JJ Annotated Anodyne COc1cc(OC)c(NC(=O)[C@@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1Cl ZINC000008605091 JJ Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@@H](C)C(=O)NCCc3ccc(Cl)cc3)c21 ZINC000008605252 JJ Annotated Anodyne CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)NCCc3ccc(Cl)cc3)c21 ZINC000008605254 JJ Annotated Anodyne COc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5ccccc5)c43)c(C)o2)cc1OC ZINC000008605743 JJ Annotated Anodyne COc1cccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5ccccc5)c43)c(C)o2)c1OC ZINC000008605765 JJ Annotated Anodyne COc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5ccccc5)c43)c(C)o2)c(OC)c1 ZINC000008605769 JJ Annotated Anodyne Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)Nc3ccccc3Br)C2)s1 ZINC000008610520 JJ Annotated Anodyne Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccccc3Br)C2)s1 ZINC000008610522 JJ Annotated Anodyne CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000008610741 JJ Annotated Anodyne CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000008610743 JJ Annotated Anodyne Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000008611406 JJ Annotated Anodyne Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000008611407 JJ Annotated Anodyne CCc1ccc2nc(O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)cc2c1 ZINC000008617333 JJ Annotated Anodyne CCCc1cc2c(n1Cc1ccco1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000008628900 JJ Annotated Anodyne COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N(C)C3CCCCC3)c(O)nc2cc1OC ZINC000008663873 JJ Annotated Anodyne COc1cc2cc([C@H](c3nnnn3C3CCCCC3)N(C)C3CCCCC3)c(O)nc2cc1OC ZINC000008663874 JJ Annotated Anodyne O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000008666146 JJ Annotated Reactive Cc1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008667143 JJ Annotated Mild Cc1ccc(/C=N\N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008667145 JJ Annotated Mild CCN(CC)P(=O)([C@H](NC(=O)OC)C(F)(F)C(F)(F)C(F)(F)C(F)F)N(CC)CC ZINC000008673101 JJ Annotated Mild Cc1cc(C)c2nc(O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@@H]3CCCO3)cc2c1 ZINC000008677525 JJ Annotated Anodyne Cc1cc(C)c2nc(O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@@H]3CCCO3)cc2c1 ZINC000008677526 JJ Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCC(=O)N([C@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680203 JJ Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCC(=O)N([C@@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680204 JJ Annotated Anodyne COc1ccccc1[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000008680268 JJ Annotated Anodyne aggregator O=C(COc1ccccc1)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)COc2ccccc2)c1 ZINC000008680929 JJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NC2CCCC2)c1 ZINC000008681891 JJ Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)NCc1ccco1)C2=O ZINC000008681903 JJ Annotated Anodyne O=C(NC1CCCC1)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000008681991 JJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCc2ccco2)c1 ZINC000008682046 JJ Annotated Anodyne COc1cc(CCN2C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(C(C)=O)=C2C)cc(OC)c1OC ZINC000008682085 JJ Annotated Mild Cc1ccc(/N=C(O)/C(C#N)=c2\s/c(=C\C=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1C ZINC000008682501 JJ Annotated Mild CCn1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c(C)n1 ZINC000008684120 JJ Annotated Anodyne CCn1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(Br)cn2)c(C)n1 ZINC000008684121 JJ Annotated Anodyne C=CCn1c(O)c(/N=N/C(S)=N\c2ccccc2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008690924 JJ Annotated Mild Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000008690975 JJ Annotated Anodyne Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000008690976 JJ Annotated Anodyne O=C(NCc1ccccn1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008692097 JJ Annotated Reactive O=C(N/N=C/CCc1ccccc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000008692474 JJ Annotated Reactive C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000008692570 JJ Annotated Mild COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000008717049 JJ Annotated Anodyne COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1C/C=N/c1cc(C)cc(C)c1 ZINC000008761977 JJ Annotated Mild CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000008824154 JJ Annotated Anodyne COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 ZINC000008829107 JJ Annotated Anodyne CCCC[C@H](O)[C@H](O)/C=C/C(CCc1ccccc1)=C(/CCCCCCCC(=O)O)C[C@H](O)CO ZINC000085490847 JJ Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2CC[C@H](O)[C@@H](CC[C@H]3[C@@H](O)CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]2(C)CC[C@H]1O ZINC000085491031 JJ Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)C1(O)CCCC1 ZINC000085492988 JJ Annotated Mild in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](CC(C)=O)[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000085508817 JJ Annotated Mild in-vitro biogenic CCCCCCC[C@H](CCC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)Cc1ccc(O)cc1 ZINC000085510309 JJ Annotated Mild in-vitro biogenic COc1ccc2cc1-c1cc(ccc1O)CC[C@H](O)C[C@H]1CCC[C@H](C[C@@H](OC(C)=O)CC2)N1 ZINC000085511868 JJ Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1[C@@H](OC(=O)[C@@H](C)CC)C(=O)[C@H]2[C@H](C)OC(C)=O ZINC000085529952 JJ Annotated Mild in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@H](C)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532375 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)[C@H]5C=CC[C@@H](C)C5)N4C3)[C@H]2[C@@H]1C ZINC000085532419 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)[C@H]1C=CC[C@@H](C)C1 ZINC000085532422 JJ Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1C[C@H](Cc2ccccc2)C[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532498 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CC4CCCC4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532571 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CCC(C)C)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532575 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)CCCC(C)C)N4C3)[C@H]2[C@@H]1C ZINC000085532582 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532604 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)CC5CCCCC5)N4C3)[C@H]2[C@@H]1C ZINC000085532606 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)CC5CCCC5)N4C3)[C@H]2[C@@H]1C ZINC000085532608 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)CC1CCCC1 ZINC000085532613 JJ Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)CCC(C)C ZINC000085532614 JJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CCC(C)C)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542382 JJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@]3([C@@H]1[C@](C)(C1CCCCC1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542427 JJ Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(CCCC(C)C)[C@@H]1C(C)(C)CC[C@H]2O ZINC000085542447 JJ Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@H]3C[C@@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)C[C@@H]3CC[C@H](CO)[C@](N)(C2)[C@@H]31 ZINC000085543119 JJ Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@@H]3CC[C@H](Cc4ccccc4)[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@](N)(CCO)C2 ZINC000085543206 JJ Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1C[C@@H]1[C@H]4CCC[C@H]4CC[C@@H]13)[C@@]2([C@H]1CCC[C@H]([C@H](O)CCO)C1)[C@@H](N)C=O ZINC000085544860 JJ Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@@]2([C@H]1CCC[C@@H]([C@H](O)CCO)C1)[C@@H](N)C=O ZINC000085544884 JJ Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@@]2([C@H]1CCC[C@H]([C@H](O)CCCO)C1)[C@@H](N)C=O ZINC000085544901 JJ Annotated Mild in-vitro biogenic C=C1[C@@H]2[C@H](OC)[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNC)c4)c3)(C[C@H]2CO)C1(C)C ZINC000085546357 JJ Annotated Mild in-vitro biogenic C[C@]12C[C@@H]3C=C[C@H]1[C@H](O)[C@]14C=C[C@@H]5C[C@]1(C[C@]41CCC[C@@H]1[C@@H]5NCCNC1CCCCC1)[C@@](O)(C3)C2 ZINC000085547520 JJ Annotated Anodyne in-vitro biogenic CC(C)C[C@H]1CCC[C@H]([C@H](c2ccc(C=O)cc2)[C@H]2C[C@@H]([C@@H]3CC[C@H]4[C@@H](O)CC[C@H]4N3)[C@@]3(O)CN23)C1 ZINC000085547717 JJ Annotated Anodyne in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549484 JJ Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(N)=N3 ZINC000085549498 JJ Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](C1CCCC1)[C@@]42CC3=O ZINC000085549529 JJ Annotated Reactive in-vitro biogenic C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)Cl ZINC000085558667 JJ Annotated Reactive CCCCCCCCCCCC(=O)N(CCCCCNC(=N)N)CCCNC(=O)C=C(C)C ZINC000085559442 JJ Annotated Mild COc1cc([C@@H]2COc3cc4ccc5c(O)cc(OC)c6c5c4c(c3[C@H]2O)CC6)cc(OC)c1O ZINC000085567627 JJ Annotated Bother in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592703 JJ Annotated Clean in-vitro biogenic COCCC[C@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592960 JJ Annotated Anodyne in-vitro biogenic COc1cc2c(c3ccc(O)cc13)OC[C@@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H]2O ZINC000085592984 JJ Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2ccc(OC3CCCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O ZINC000085592988 JJ Annotated Anodyne in-vitro biogenic C[C@@]1(C/C=C/c2ccccc2)Oc2cc3oc([C@H](O)Cc4ccccc4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593564 JJ Annotated Anodyne in-vitro biogenic CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000085593786 JJ Annotated Anodyne CC(C)CCc1c(CO)oc2cc3c(c(OC4CCCC4)c2c1=O)[C@H]1CCC[C@@](C)(O)[C@H]1O3 ZINC000085594454 JJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CCC[C@@H](c2ccnc(N)c2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594672 JJ Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)CCC[C@@H](c2ccc(N)nc2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594678 JJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)C2CCCC2)O3)O1 ZINC000085595017 JJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCCc1ccccc1 ZINC000085595311 JJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)CC2(c3ccc(O)c(OC)c3)CCCC2)OC(C)=O)ccc1O ZINC000085595873 JJ Annotated Anodyne in-vitro biogenic COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H](CCc2ccc(O)c(CCC(C)C)c2)C[C@H]1O ZINC000085596407 JJ Annotated Clean in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC4CCCC4)c3)O2)ccc1O ZINC000085596680 JJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(=O)C2CCCCC2)ccc1O ZINC000085596860 JJ Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cc(CC/C=C/C(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)cc(OC)c1O ZINC000085597098 JJ Annotated Mild in-vitro biogenic CNCC1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)ccc2O)CCCC1 ZINC000085597120 JJ Annotated Mild in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCCC4)c3)O2)ccc1O ZINC000085597285 JJ Annotated Clean in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](CO)CCO2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597455 JJ Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H](O)C[C@H](C)CCCO)c1-c1ccc2ccc(O)cc2c1 ZINC000085597466 JJ Annotated Anodyne in-vitro biogenic C[C@H](CCCO)C[C@@H](O)CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1 ZINC000085597497 JJ Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C(=O)O ZINC000085597653 JJ Annotated Anodyne C[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O ZINC000085598705 JJ Annotated Bother CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](NC)[C@H]3O)[C@@H]2C)CC=C1C ZINC000085599468 JJ Annotated Anodyne C[C@@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O ZINC000085599962 JJ Annotated Bother CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CNC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624343 JJ Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624352 JJ Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C(C(C)C)C=N3)c2)c[c-]1CO ZINC000085624391 JJ Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](C2=C[CH+]N=C2)[C@H]([C@H](CC(=O)CCc2cc(O)c(O)c(OC)c2)OC(C)=O)C1 ZINC000085624600 JJ Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](C2=C[CH+]N=C2)[C@H]([C@H](CC(=O)CCc2cc(OC)c(O)cc2CNC)OC(C)=O)C1 ZINC000085624643 JJ Annotated Mild in-vitro biogenic CC[C@@H]1C[C@@H]2C=C[C@H]1[C@@H]([C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)[C@@H]2C1=C[CH+]N=C1 ZINC000085624647 JJ Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(C[C@H]2C[C@H](CN=C(N)N)C=C[C@@H]2OC)c(O)c(OC2CCCC2)c1 ZINC000085625097 JJ Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1CC[C@@H](CCN=C(N)N)[C@@H](COC)C2 ZINC000085625101 JJ Annotated Mild in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(cc(OC3CCCCC3)c1O)CC[C@@H](O)CC(=O)CC2 ZINC000085626685 JJ Annotated Mild in-vitro biogenic CC1(CCC[C@@H](O)CC(=O)CCc2ccc(O)c(OC[N+]3=CC4=CC=NC4=C3)c2)CCCC1 ZINC000085629236 JJ Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCCCC[C@H](CCO)C2)OC(C)=O)ccc1O ZINC000085629499 JJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(OC)c(O)cc1-c1ccnc(N)c1)OC(C)=O)OC(C)=O ZINC000085629504 JJ Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(N)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629529 JJ Annotated Anodyne in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCC2CCNCC2)c(Cc2ccc(N)nc2)cc1O ZINC000085630699 JJ Annotated Mild in-vitro biogenic CCC[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1ccc(N)nc1 ZINC000085630713 JJ Annotated Mild in-vitro biogenic CCCCCC[C@@H]1CC#C[C@@H](c2ccccc2)c2cc(O)c(OC)cc2CCC(=O)[C@@H](O)C1=O ZINC000085631600 JJ Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@H]2c3ccnc(N)c3C=C[C@H]2CO)c1 ZINC000085631639 JJ Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@H]2c3ccnc(N)c3CC[C@@H]2CO)c1 ZINC000085631641 JJ Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCCCc3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085632071 JJ Annotated Mild in-vitro biogenic COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000085635089 JJ Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000085635092 JJ Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000085635095 JJ Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23OC)c(C)c1Cl ZINC000085635097 JJ Annotated Reactive in-man CC1(C)C[C@@](O)(C[C@@H]2CC[C@]34C(=O)O[C@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@@H]1Br ZINC000085637894 JJ Annotated Reactive CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@@]12O[C@@H]1C[C@H](O)[C@H](C)C2=O)OC ZINC000085639622 JJ Annotated Mild CC(C)=CC(=O)C[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@@]3(C)CC(=O)[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000085642209 JJ Annotated Anodyne COc1cc([C@@H]2Oc3cc4c(c(OC)c3[C@@H]2COC(C)=O)-c2ccc(O)cc2CC4)ccc1O ZINC000085645027 JJ Annotated Anodyne in-vitro biogenic C=C([C@H](OC(C)=O)C1=C[C@@H](C)CC1=O)[C@@H](C[C@H]1[C@@H](/C=C(\C)C(=O)O)C1(C)C)OC(=O)c1ccccc1 ZINC000085645912 JJ Annotated Mild in-vitro biogenic CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)C(CO)(CO)[C@@H]2CC4)O1 ZINC000085724488 JJ Annotated Anodyne CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CCC(=O)C(CO)(CO)[C@@H]2CC4)O1 ZINC000085724496 JJ Annotated Anodyne C=C(C)[C@H](C[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC/C=C(/C)CC[C@H]12)OC(C)=O ZINC000085725198 JJ Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@H](C)C2 ZINC000085832733 JJ Annotated Anodyne CCCCCCCCCC/C=C/CCC[C@]1(C)OC(=O)[C@@H](CN2C(=O)CC[C@H]2C(=O)OC)[C@H]1O ZINC000085896744 JJ Annotated Mild CCCCCCCCCC/C=C/CCC[C@@]1(C)OC(=O)[C@@H](CN2C(=O)CC[C@H]2C(=O)OC)[C@@H]1O ZINC000085896746 JJ Annotated Mild COC(=O)[C@H](CCC#CC=C(Cl)Cl)[C@H](CCCC#CCC(Cl)Cl)NC(C)=O ZINC000085918778 JJ Annotated Reactive CCCCC(Br)(Br)[C@H](OC(C)=O)C(Br)Br ZINC000085922005 JJ Annotated Reactive CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@H](OC(C)=O)CCC2=O)OC ZINC000085949225 JJ Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@H](OC(C)=O)CCC2=O)OC ZINC000085949226 JJ Annotated Mild COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1CC(=O)c1ccc(OC)cc1 ZINC000085995010 JJ Annotated Anodyne COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1CC(=O)c1ccc(OC)cc1O ZINC000085995011 JJ Annotated Anodyne CCCCCc1c(Oc2cc(O)cc3c2C(=O)O[C@@]3(O)CCCC)c(O)cc(O)c1C(=O)OC ZINC000085997963 JJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](O)[C@H](C)[C@@H]1C)OCO3 ZINC000086021623 JJ Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](O)[C@H](C)[C@@H]1C)OCO3 ZINC000086021625 JJ Annotated Anodyne Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1C2=C[C@]2(C)C[C@H]1c1c(c3ccccc3n(C)c1=O)O2 ZINC000086036578 JJ Annotated Anodyne C[C@@H]1C(=O)[C@H](C[C@@H]2c3[nH]c4ccc(O)cc4c3CCN2C=O)C[C@@H]2c3c(c4ccccc4n31)CCN2C ZINC000086037258 JJ Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c1O[C@@]13C[C@H]4[C@@H](C=C1C2=O)[C@](CC=C(C)C)(OC4(C)C)C3=O ZINC000086042008 JJ Annotated Mild C/C=C(\C)C(=O)OC[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)OC[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000086043650 JJ Annotated Anodyne CCCCCNC(=O)O[C@@H]1CC[C@@H]2[C@@H](C(=O)Nc3ccc(N(C)C)cc3)C[C@H]1N2CCC(C)C ZINC000087613130 JJ Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260704 JJ Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CCC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260705 JJ Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260706 JJ Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CCC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260707 JJ Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CCC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260742 JJ Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)CCC3CC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260743 JJ Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CCC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260744 JJ Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CCC3CC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000088260745 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000088260896 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N)CC2 ZINC000088260897 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000088260898 JJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N)CC2 ZINC000088260899 JJ Annotated Anodyne CN(CCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260977 JJ Annotated Anodyne CN(CCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000088260978 JJ Annotated Anodyne O=S(=O)(NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2)c1cccs1 ZINC000088261027 JJ Annotated Anodyne O=S(=O)(NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2)c1cccs1 ZINC000088261028 JJ Annotated Anodyne O=S(=O)(NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCC1)CC2)c1cccs1 ZINC000088261029 JJ Annotated Anodyne O=S(=O)(NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2)c1cccs1 ZINC000088261030 JJ Annotated Anodyne O=S(=O)(CC1CC1)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCCC1)CC2 ZINC000088261075 JJ Annotated Anodyne O=S(=O)(CC1CC1)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCCC1)CC2 ZINC000088261076 JJ Annotated Anodyne O=S(=O)(CC1CC1)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCCC1)CC2 ZINC000088261077 JJ Annotated Anodyne O=S(=O)(CC1CC1)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCCC1)CC2 ZINC000088261078 JJ Annotated Anodyne Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(F)(F)F ZINC000088265374 JJ Annotated Anodyne CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(-c3nccs3)cc2F)CC1 ZINC000088385399 JJ Annotated Anodyne CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1OCC ZINC000009125200 JJ Annotated Anodyne CC[C@H](C)CNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NC[C@H](C)CC)cc3)CC2)cc1 ZINC000009131083 JJ Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000009412542 JJ Annotated Anodyne Cc1cc(NC(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)no1 ZINC000009473206 JJ Annotated Bother C[C@H](C(=O)c1ccc[nH]1)[C@H]1O[C@@]2(CC[C@@H](C)[C@H](Cc3nc4c(C(=O)O)c(O)ccc4o3)O2)CC[C@H]1C ZINC000090629144 JJ Annotated Anodyne CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000009542353 JJ Annotated Anodyne CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000009542354 JJ Annotated Anodyne CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000009542357 JJ Annotated Anodyne CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O ZINC000009542359 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559736 JJ Annotated Anodyne CCCCN(CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559737 JJ Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N1CC2 ZINC000009560355 JJ Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N1CC2 ZINC000009560356 JJ Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N1CC2 ZINC000009560357 JJ Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N1CC2 ZINC000009560358 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009560626 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009560627 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12 ZINC000009560628 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009560629 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000009560844 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560845 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000009560846 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560847 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCCC2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560920 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560921 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560922 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560923 JJ Annotated Anodyne CCN1CCC[C@@H]1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560988 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/Cc2ccccn2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560994 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/Cc2ccccn2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560995 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/Cc2ccccn2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560996 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/Cc2ccccn2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560997 JJ Annotated Mild COc1ccc2[nH]c(O)c(/N=N\C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 ZINC000009583434 JJ Annotated Clean COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/Cc2ccc3c(c2)OCO3)[C@H]1c1c[nH]c2ccccc12 ZINC000009602878 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/Cc2ccc3c(c2)OCO3)[C@@H]1c1c[nH]c2ccccc12 ZINC000009602882 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/Cc2ccc3c(c2)OCO3)[C@H]1c1c[nH]c2ccccc12 ZINC000009602887 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/Cc2ccc3c(c2)OCO3)[C@@H]1c1c[nH]c2ccccc12 ZINC000009602892 JJ Annotated Mild COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccc(C)c2)[C@H]1c1c[nH]c2ccccc12 ZINC000009603301 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccc(C)c2)[C@H]1c1c[nH]c2ccccc12 ZINC000009603306 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009603311 JJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1c[nH]c2ccccc12 ZINC000009603318 JJ Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)ccc2[C@H]1Nc1cc(F)ccc1F ZINC000009609166 JJ Annotated Anodyne COCCN1C(=O)c2cc(C(=O)Nc3cc(F)ccc3F)ccc2[C@@H]1Nc1cc(F)ccc1F ZINC000009609169 JJ Annotated Anodyne CCOc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1C ZINC000009673206 JJ Annotated Anodyne CCOc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1C ZINC000009673207 JJ Annotated Anodyne CCOc1ccc(OCC)c(/N=C(\O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1 ZINC000009678311 JJ Annotated Mild COc1cccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5cccc(F)c5)c43)c(C)o2)c1OC ZINC000009724782 JJ Annotated Anodyne COc1cc(OC)cc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000009779652 JJ Annotated Mild COc1cc(OC)cc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000009783014 JJ Annotated Mild CCc1nnc(NC(=O)C2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)s1 ZINC000009847904 JJ Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1/N=N/c1cccc(-c2cccc(-n3cnnn3)c2)c1O ZINC000095092795 JJ Annotated Clean investigational C=C(CC(C)(C)C(=O)Oc1cc(CO)c(OC)cc1OC)c1cc2cc(OC)c(OC)cc2o1 ZINC000095099190 JJ Annotated Mild in-vitro biogenic CC(=O)OC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000095486033 JJ Annotated Anodyne in-vitro biogenic COC(=O)C[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095552792 JJ Annotated Anodyne O=C(O)C[C@](O)(C[C@@H](O)CCCCCn1c(-c2ccccc2)cc2cc(Cl)ccc21)C(=O)O ZINC000095553292 JJ Annotated Anodyne COCCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095554139 JJ Annotated Anodyne COC(=O)C1CCC(n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000095554872 JJ Annotated Anodyne O=C(O)c1cccc(N/N=C/c2cc(C(=O)NCCCc3ccccc3)c3ccccc3n2)c1 ZINC000095555366 JJ Annotated Mild CCOC(=O)c1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(/C=N/Nc2nc3ccccc3[nH]2)c1 ZINC000095555437 JJ Annotated Mild Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(O)c(Br)c3)C[C@@H]1O2 ZINC000095556175 JJ Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(O)c(Br)c3)C[C@@H]1O2 ZINC000095556176 JJ Annotated Anodyne Cc1cc(OCCN2CCC(n3cnc4cccnc43)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000095556945 JJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1)c1ccc(OCC(F)(F)F)cc1 ZINC000095557155 JJ Annotated Anodyne C[C@@H](NC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1)c1ccc(OCC(F)(F)F)cc1 ZINC000095557156 JJ Annotated Anodyne C[C@H](NC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1)c1ccc(OCC(F)(F)F)cc1 ZINC000095557157 JJ Annotated Anodyne C[C@@H](NC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1)c1ccc(OCC(F)(F)F)cc1 ZINC000095557158 JJ Annotated Anodyne Cc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000095557402 JJ Annotated Anodyne CCN(CC)C(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C ZINC000095557633 JJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C ZINC000095557634 JJ Annotated Anodyne CCN(CC)C(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C ZINC000095557635 JJ Annotated Anodyne CCN(CC)C(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C ZINC000095557636 JJ Annotated Anodyne COc1cc([C@@H]2CC(=NOC(=O)c3cccc(O)c3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095557803 JJ Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3cccc(O)c3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095557804 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3cccc(O)c3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095557805 JJ Annotated Mild CCN(CC)CCC(=O)Nc1cc(Cl)ccc1-c1nc(NCCCN(C)C)c2ccccc2n1 ZINC000095557849 JJ Annotated Anodyne O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(OCc1ccccc1)c2CN1CCNCC1 ZINC000095558326 JJ Annotated Mild O=C(Nc1sc2c(c1C(=O)N1CCC(F)(F)CC1)CCOC2)c1ccccc1C(F)(F)F ZINC000095558476 JJ Annotated Anodyne COc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 ZINC000095558691 JJ Annotated Anodyne COc1cc([C@@H]2CC(=NOC(=O)c3ccc(O)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559051 JJ Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccc(O)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559052 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccc(O)cc3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559053 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccccc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559334 JJ Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccccc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559335 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccccc3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559336 JJ Annotated Mild C[C@]12CC[C@H]([N+]3(C)CCCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O ZINC000095559990 JJ Annotated Bother C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C ZINC000095560292 JJ Annotated Reactive CC(=O)c1ccc(NC(=O)CSc2nncnc2-c2ccccc2Cl)c(Br)c1 ZINC000095560322 JJ Annotated Anodyne CCCC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 ZINC000095560556 JJ Annotated Anodyne CCCC[C@@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 ZINC000095560557 JJ Annotated Anodyne COc1cc([C@@H]2CC(=NOC(=O)c3ccccc3O)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095561067 JJ Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccccc3O)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095561068 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccccc3O)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095561069 JJ Annotated Mild CC(C)N(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000095561458 JJ Annotated Anodyne O=C(/C=C/c1cc[n+](Cc2ccccc2F)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000095561696 JJ Annotated Mild O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000095561845 JJ Annotated Bother CCCCCCC[C@H]1C[C@H]2CCC3=C(C(=O)OCCCCNC(=N)N)[C@H](CCCCC)N=C(N1)N32 ZINC000095562256 JJ Annotated Mild CCCCCCC[C@H]1C[C@H]2CCC3=C(C(=O)OCCCCNC(=N)N)[C@@H](CCCCC)N=C(N1)N32 ZINC000095562257 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccc(F)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095562313 JJ Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccc(F)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095562314 JJ Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccc(F)cc3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095562315 JJ Annotated Mild O=C(/C=C/c1cc[n+](Cc2ccc(F)cc2)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000095563113 JJ Annotated Mild O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCOC2)c1c(F)cccc1C(F)(F)F ZINC000095563317 JJ Annotated Anodyne O=c1c(O)c(Oc2ccccc2-c2ccc(CNc3nc(C(F)(F)F)nc4c3CCCC4)cc2)c1=O ZINC000095563417 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095564075 JJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095564077 JJ Annotated Anodyne Cc1c(OCc2cccnc2)ccc2c(=O)nc(N(Cc3cccnc3)c3cccnc3)oc12 ZINC000095564085 JJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095564915 JJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095566349 JJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095566439 JJ Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Br)cc(C(F)(F)F)c3)CC2)c1 ZINC000095566533 JJ Annotated Anodyne COC(=O)C1(C(=O)OC)C[C@H](c2ccccc2)N(Cc2ccccc2OC)[C@@H]1c1ccccc1 ZINC000095566539 JJ Annotated Anodyne O=C1c2c(-c3ccc(Br)cc3)noc2CCN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000095566742 JJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095566771 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095566825 JJ Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095566868 JJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCOC)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095566886 JJ Annotated Mild CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1ccccc12 ZINC000095566899 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(Cl)c(Cl)c3)OC[C@@H]2C(C)C)cc1 ZINC000095566945 JJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095566975 JJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095567050 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N3CCCCC3)cc3c2[C@H](CCO)N(C(=O)NC(C)C)C3)c1 ZINC000095567055 JJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCSCC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095567062 JJ Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567188 JJ Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567189 JJ Annotated Anodyne COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC ZINC000095567200 JJ Annotated Reactive COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC ZINC000095567201 JJ Annotated Reactive CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095567252 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095567367 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567511 JJ Annotated Mild CC(C)(C)NC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567512 JJ Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095567626 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccnc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567808 JJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccnc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095567809 JJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095567907 JJ Annotated Anodyne COC(=O)C1(C(=O)OC)C[C@H](c2cccs2)N(Cc2ccccc2OC)[C@@H]1c1ccc(F)cc1 ZINC000095567922 JJ Annotated Anodyne O=C(c1ccoc1)N1CCN(c2cc(-c3cccc(F)c3)nc3cc(-c4ccccc4)nn23)CC1 ZINC000095568083 JJ Annotated Anodyne COC(=O)c1cccc(N2C(=O)C[C@](Sc3ccc(C)cc3)(C(=O)OC)[C@H]2c2ccccc2)c1 ZINC000095568122 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095568152 JJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095568305 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095568457 JJ Annotated Mild COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095568492 JJ Annotated Anodyne COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC ZINC000095568648 JJ Annotated Reactive COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC ZINC000095568649 JJ Annotated Reactive CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095568671 JJ Annotated Anodyne Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)cc1 ZINC000095568686 JJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568689 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095568818 JJ Annotated Anodyne COc1ccc(-n2nnnc2[C@@H](CCc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095568941 JJ Annotated Anodyne COc1ccc(-n2nnnc2[C@H](CCc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095568942 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 ZINC000095568977 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 ZINC000095568978 JJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095569130 JJ Annotated Mild Cc1cc(C(=O)N2CCN(c3cc(-c4ccco4)nc4cc(-c5ccccc5)nn34)CC2)c(C)o1 ZINC000095569132 JJ Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccccc2)C1=O ZINC000095569197 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095569238 JJ Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569324 JJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569325 JJ Annotated Anodyne O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccc(Cl)cc4)nn23)CC1 ZINC000095569379 JJ Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccc(C#N)cc2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095569414 JJ Annotated Mild COc1ccc(NC(=O)[C@H](c2ccc(C#N)cc2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095569415 JJ Annotated Mild COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 ZINC000095569744 JJ Annotated Reactive COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 ZINC000095569745 JJ Annotated Reactive CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095569769 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095569837 JJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095570000 JJ Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(O)c(C)c3c4c2[C@@H](C)CC[C@@H]4[C@@H](C)C[C@@H]3C=C(C)C)[C@@H](O)[C@@H]1O ZINC000095570086 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095570107 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@H]3C2)cc1 ZINC000095570129 JJ Annotated Mild COC(=O)C1(C(=O)OC)C[C@H](c2ccc(OC)cc2)N(Cc2ccccc2OC)[C@@H]1c1cccs1 ZINC000095570201 JJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCSCC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095570242 JJ Annotated Mild CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095570301 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000095570402 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000095570403 JJ Annotated Anodyne CSCC[C@H](C(=O)Nc1c(C)cccc1C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095570462 JJ Annotated Anodyne CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095570463 JJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095570475 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095570497 JJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095570505 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095570550 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095570564 JJ Annotated Mild CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(c2cc(C)nc3ccccc23)CC1 ZINC000095570574 JJ Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(c2cc(C)nc3ccccc23)CC1 ZINC000095570575 JJ Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095570594 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095570635 JJ Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095570639 JJ Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095570640 JJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095570692 JJ Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095570708 JJ Annotated Anodyne Cc1coc(C)c1C(=O)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1 ZINC000095570816 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095571140 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095571141 JJ Annotated Anodyne O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3F)nc3cc(-c4ccccc4)nn23)CC1 ZINC000095571143 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N(CCN(C)C)Cc1ccccc1 ZINC000095571168 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N(CCN(C)C)Cc1ccccc1 ZINC000095571169 JJ Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095571171 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095571185 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3COCc2ccccc2)ccc1-n1cnc(C)c1 ZINC000095571605 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000095571686 JJ Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3-c3ccccc3)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095572085 JJ Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3-c3ccccc3)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095572086 JJ Annotated Anodyne CCCN(c1c(OC)nn2c(-c3c(OC)cc(COC)cc3OC)csc12)C1CCOCC1 ZINC000095572150 JJ Annotated Anodyne COc1cc(/C=C2\O[C@@H](C)CN3C2=NOC[C@@H]3c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000095572196 JJ Annotated Anodyne COc1cc(/C=C2\O[C@H](C)CN3C2=NOC[C@@H]3c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000095572268 JJ Annotated Anodyne COC(=O)[C@H]1CN(CCSc2ccco2)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12 ZINC000095572586 JJ Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccccc2F)cc(-c2cc3cc(F)ccc3nc2Cl)n1 ZINC000095572667 JJ Annotated Anodyne NC1=N[C@@](c2ccnc(C(F)(F)F)c2)(c2ccc(F)c(-c3cncnc3)c2)c2cccc(F)c21 ZINC000095572728 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H](COCc4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095572767 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](COCc4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095572768 JJ Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC1CCOCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095572816 JJ Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCOCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095572817 JJ Annotated Anodyne CN(C)CCOC(=O)C(CN)(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000095572978 JJ Annotated Anodyne O=C1c2ccc(Oc3ccc(F)cc3F)cc2CCc2ccc(OCCN3CCOCC3)cc21 ZINC000095573073 JJ Annotated Anodyne CN(C)CCN1CCN(c2c3cc(-c4ccncc4)ccc3nc3c2[nH]c2ccccc23)CC1 ZINC000095573286 JJ Annotated Bother COc1cc(/C=C2\CCCN3C(=O)[C@@H](c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095573290 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C(=O)[C@H](c4cc(F)cc(F)c4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095573291 JJ Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C ZINC000095573579 JJ Annotated Anodyne COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1 ZINC000095573698 JJ Annotated Anodyne COc1cc(-c2ccc(C(=O)[C@@H](OC)c3ccc(-c4nnc(C)o4)cc3)o2)cc(OC)c1OC ZINC000095573909 JJ Annotated Anodyne COc1cc(-c2ccc(C(=O)[C@H](OC)c3ccc(-c4nnc(C)o4)cc3)o2)cc(OC)c1OC ZINC000095573910 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCCc1cnc(/C=N/O)c(O)c1)CC2 ZINC000095573992 JJ Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCCc1cnc(/C=N/O)c(O)c1)CC2 ZINC000095573993 JJ Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Br)ccc(CNC(=O)c3[nH]c(N)nc3Cl)c2F)c1 ZINC000095574040 JJ Annotated Mild OCCc1cn(C[C@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095574336 JJ Annotated Anodyne OCCc1cn(C[C@@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095574337 JJ Annotated Anodyne Fc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095574495 JJ Annotated Bother N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(CO)nc3Cl)c2F)c1 ZINC000095574585 JJ Annotated Mild COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 ZINC000095575126 JJ Annotated Anodyne CCCCN(c1c(OC)nn2c(-c3c(OC)cc(C#N)cc3OC)csc12)C1CCOCC1 ZINC000095575225 JJ Annotated Mild CC(C)(C#N)c1cccc(C(=O)Nc2ccc(F)c(C(=O)Nc3cnc4[nH]ncc4c3)c2F)c1 ZINC000095575423 JJ Annotated Mild Cc1cn([C@@H]2CCCN(Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095575694 JJ Annotated Anodyne CC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095575781 JJ Annotated Anodyne CCc1nc2c(F)ccc(OCC(=O)O)c2c(OC(F)F)c1Cc1ccc(-n2cccn2)cc1 ZINC000095575864 JJ Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cncnc1)c1cccc(F)c1 ZINC000095575915 JJ Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cncnc1)c1cccc(F)c1 ZINC000095575916 JJ Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095576056 JJ Annotated Anodyne CC(C)(C)c1nnc2c(C(=O)NCCCc3nc4ccccc4[nH]3)cc(-c3ccc(O)cc3)cn12 ZINC000095576285 JJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cncc(Br)c3)cc1[C@@]21N=C(C)C(N)=N1 ZINC000095576580 JJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cncc(Br)c3)cc1[C@]21N=C(C)C(N)=N1 ZINC000095576581 JJ Annotated Anodyne C=CCCC(=O)O[C@@H](CNC(=O)[C@@H](CC=C)CC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000095576704 JJ Annotated Mild Nc1cc(Br)c(-c2nnc(CCC(=O)c3nc4ccccc4[nH]3)o2)c(Br)c1 ZINC000095577362 JJ Annotated Anodyne CCc1csc(C[C@H]2CON=C3/C(=C/c4ccc(-n5cnc(C)c5)c(OC)c4)CCCN32)n1 ZINC000095577548 JJ Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4cccc(C(C)(C)C#N)c4)c3F)cc12 ZINC000095577709 JJ Annotated Mild CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12 ZINC000095577848 JJ Annotated Bother Cc1cn([C@H]2CCCN(Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095578585 JJ Annotated Anodyne CC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095578748 JJ Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)cc(-c3cccnc3)c2)cc1 ZINC000095578752 JJ Annotated Mild COCc1cc(OC)c(-c2csc3c(N(CC(C)C)C4CCOCC4)c(OC)nn23)c(OC)c1 ZINC000095579222 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@]32CCOc3ccc(F)cc32)ccc1-n1cnc(C)c1 ZINC000095579650 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@]32CCOc3ccc(F)cc32)ccc1-n1cnc(C)c1 ZINC000095579651 JJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCCc1ccnc(/C=N/O)c1O)CC2 ZINC000095579701 JJ Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCCc1ccnc(/C=N/O)c1O)CC2 ZINC000095579702 JJ Annotated Mild COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@@H]4CCCO4)c(OC)nn23)c(OC)c1 ZINC000095579724 JJ Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@H]4CCCO4)c(OC)nn23)c(OC)c1 ZINC000095579725 JJ Annotated Anodyne COc1ccc(CN2CCC3(CC2)CN=C2c4ccc(Br)cc4SC(=N)N2C3)cc1 ZINC000095580077 JJ Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccc(F)cc2)cc(-c2cc3cc(F)ccc3nc2Cl)n1 ZINC000095580120 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]32CCOc3ccc(F)cc32)ccc1-n1cnc(C)c1 ZINC000095580212 JJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]32CCOc3ccc(F)cc32)ccc1-n1cnc(C)c1 ZINC000095580213 JJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(N)nc3Cl)c2F)c1 ZINC000095580282 JJ Annotated Mild COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCc1ccnc(/C=N/O)c1O)CC2 ZINC000095580286 JJ Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCc1ccnc(/C=N/O)c1O)CC2 ZINC000095580287 JJ Annotated Mild COc1cccc(OC)c1CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000095580316 JJ Annotated Anodyne CCOC(=O)C1=NN(C(=O)CCN2c3ccccc3Sc3ccccc32)[C@](O)(c2ccccc2)C1 ZINC000095580670 JJ Annotated Anodyne CCOC(=O)C1=NN(C(=O)CCN2c3ccccc3Sc3ccccc32)[C@@](O)(c2ccccc2)C1 ZINC000095580671 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1C1CNC1 ZINC000095580707 JJ Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncsc2F)cc1C#N ZINC000095580736 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)c(Cl)c1 ZINC000095580741 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Oc2ccccc2)nc1 ZINC000095580788 JJ Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cccs2)C1 ZINC000095580811 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2cccs2)C1 ZINC000095580812 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(Cl)c(F)cc2-c2ccnnc2)cc1F ZINC000095580814 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C1CC1 ZINC000095580816 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccc(F)c(F)c1 ZINC000095580855 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095580880 JJ Annotated Mild Cc1c(CCC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095580938 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccc(F)cc1 ZINC000095580950 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(F)s2)ccc1Oc1ccc(Cl)c(Cn2cccn2)c1 ZINC000095580975 JJ Annotated Mild O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(N2CCCCC2)cc1 ZINC000095581098 JJ Annotated Anodyne Cc1nccn1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095581149 JJ Annotated Mild O=c1cc(-c2nnc(/C=C/c3nnc(-c4ccc(F)cc4)n3-c3ccccc3Cl)o2)cc[nH]1 ZINC000095581198 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1Oc1ccc(F)cc1 ZINC000095581233 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2C2CCNCC2)c(Cl)c1 ZINC000095581241 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(Cl)c(F)cc2-c2ccn[nH]2)cc1F ZINC000095581276 JJ Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1 ZINC000095581339 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CN)c1 ZINC000095581343 JJ Annotated Mild O=S(=O)(Nc1ccncn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095581364 JJ Annotated Anodyne COc1ccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1 ZINC000095581368 JJ Annotated Mild CCn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095581399 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1cc(F)cc(F)c1 ZINC000095581419 JJ Annotated Mild Cc1nocc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581432 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(F)s2)ccc1Oc1ccc(Cl)c(Cn2ccnc2)c1 ZINC000095581441 JJ Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)c(F)c1 ZINC000095581480 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(F)c(Cl)cc2-c2ccn[nH]2)cc1F ZINC000095581483 JJ Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nncs2)c(F)cc1Oc1ccc(Cl)cc1-c1ccnnc1 ZINC000095581484 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(F)c(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095581516 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@H](CCCCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095581542 JJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095581543 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1cc(F)ccc1F ZINC000095581570 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095581662 JJ Annotated Mild O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)c(F)c1 ZINC000095581663 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1cccc(CCO)c1 ZINC000095581691 JJ Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000095581704 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 ZINC000095581705 JJ Annotated Anodyne Cc1nsc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(F)c2)n1 ZINC000095581718 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)ccc1Oc1ccccc1 ZINC000095581766 JJ Annotated Mild NC(=O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095581848 JJ Annotated Anodyne COc1cccc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)n1 ZINC000095581857 JJ Annotated Mild CC(C)(C)n1nccc1-c1c(F)cccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581866 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)c(-c2ccn[nH]2)c1 ZINC000095581878 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)c(Cn2ccnc2)c1 ZINC000095581967 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccc(F)cc1F ZINC000095582027 JJ Annotated Mild Cn1nccc1-c1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)ccc1Cl ZINC000095582049 JJ Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(F)c1 ZINC000095582103 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F ZINC000095582227 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095582239 JJ Annotated Anodyne CC(C)(C)n1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095582240 JJ Annotated Mild O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095582255 JJ Annotated Anodyne N#Cc1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ncc(Cl)s3)cc2F)c(-c2cn[nH]c2)c1 ZINC000095582259 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cnco2)cc1F ZINC000095582297 JJ Annotated Anodyne Cc1c(Cl)ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1-c1nnco1 ZINC000095582301 JJ Annotated Mild Cn1nccc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1Cl ZINC000095582309 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000095582326 JJ Annotated Mild Cn1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)cn1 ZINC000095582355 JJ Annotated Mild O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccccn2)cc1 ZINC000095582404 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cnccn1 ZINC000095582406 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccsn1 ZINC000095582465 JJ Annotated Mild Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1Oc1ccc(F)cc1-c1ccnn1C ZINC000095582472 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000095582483 JJ Annotated Mild CC(C)(F)c1noc(N2CCC(CO[C@H]3CC=C(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1 ZINC000095582518 JJ Annotated Anodyne CC(C)(F)c1noc(N2CCC(CO[C@@H]3CC=C(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1 ZINC000095582519 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C2CC2)nn1-c1ccccc1F ZINC000095582542 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000095582549 JJ Annotated Mild C=CCCCc1cc(O)c(C(=O)CCCCCCC(=O)Nc2c3sscc-3[nH]c2=O)c(=O)o1 ZINC000095582556 JJ Annotated Mild COc1ccc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1F ZINC000095582565 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2cc(F)c(Cl)cc2-c2ccnnc2)c(F)c1 ZINC000095582754 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)c(F)c1 ZINC000095582760 JJ Annotated Anodyne CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@H]1OCCN(CCO)CCO ZINC000095582776 JJ Annotated Bother Cn1ccnc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582794 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)nc1 ZINC000095582797 JJ Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCCOc2c(O)cc(O)cc2O)=C(C)C1=O ZINC000095582856 JJ Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1F ZINC000095582920 JJ Annotated Anodyne Cc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F ZINC000095583013 JJ Annotated Anodyne Cc1cn(Cc2ccccc2)nc1Oc1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1C#N ZINC000095583104 JJ Annotated Mild COc1ccc(C(=O)OCCCCCCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095583156 JJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(Cl)c(F)cc2-c2cn[nH]c2)cc1F ZINC000095583214 JJ Annotated Anodyne Nc1ccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)cn1 ZINC000095583222 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C)o2)C1 ZINC000095583322 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)o2)C1 ZINC000095583323 JJ Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccncc4)n3-c3ccccc3Cl)cc(=O)n2cc1C ZINC000095583367 JJ Annotated Anodyne N#Cc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3-c3ccncc3Cl)o2)cc1 ZINC000095583369 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1ccn[nH]1 ZINC000095583422 JJ Annotated Mild COc1ccc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(C)c1 ZINC000095583424 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccn[nH]1 ZINC000095583475 JJ Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2cc(Cl)ccc2-c2ccn[nH]2)c(F)c1 ZINC000095583484 JJ Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Cl)c1Cl ZINC000095583494 JJ Annotated Anodyne Cc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583510 JJ Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N ZINC000095583541 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1cc(F)ccc1-c1ccn[nH]1 ZINC000095583545 JJ Annotated Mild N#Cc1ccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)nc1 ZINC000095583547 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1Oc1ccccc1 ZINC000095583553 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccccc1F ZINC000095583569 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N)c1 ZINC000095583580 JJ Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cscn2)cc1C#N ZINC000095583589 JJ Annotated Mild Cn1ccc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)c(Cl)c2)n1 ZINC000095583659 JJ Annotated Mild CCn1nc(C)c(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1C ZINC000095583668 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000095583714 JJ Annotated Mild O=S(=O)(Nc1ncccn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F ZINC000095583774 JJ Annotated Anodyne CC(C)(C)n1ccc(-c2c(F)cccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)n1 ZINC000095583835 JJ Annotated Mild Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1 ZINC000095583915 JJ Annotated Anodyne COc1ccc(CN2C[C@@]3(CCC[C@](CC#N)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cc1 ZINC000095583926 JJ Annotated Mild Cn1ncc(F)c1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583930 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2C2CCOCC2)c(F)c1 ZINC000095583999 JJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2cnn(Cc3ccc(Cl)cc3)c2)cc1F ZINC000095584027 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(C)cc2)C1 ZINC000095584088 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C)cc2)C1 ZINC000095584089 JJ Annotated Anodyne Nc1cccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)n1 ZINC000095584116 JJ Annotated Anodyne Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095584118 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095584122 JJ Annotated Mild Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000095584131 JJ Annotated Anodyne COc1cc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)ccc1C#N ZINC000095584132 JJ Annotated Mild Cc1c(Cl)ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c1-c1nnco1 ZINC000095584140 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000095584257 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000095584258 JJ Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccn[nH]2)cc1F ZINC000095584301 JJ Annotated Anodyne Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cscn2)c(F)c1 ZINC000095584342 JJ Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2F)ccn1 ZINC000095584361 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1[nH]ncc1F ZINC000095584379 JJ Annotated Mild O=S(=O)(Nc1ccncn1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1 ZINC000095584401 JJ Annotated Anodyne Nc1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n1 ZINC000095584446 JJ Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F ZINC000095584456 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000095584475 JJ Annotated Mild COc1ccc(-c2cccc(C)c2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1 ZINC000095584555 JJ Annotated Mild CCc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1Oc1ccc(F)cc1-c1ccnn1C ZINC000095584601 JJ Annotated Anodyne CCc1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c(-c2ccccc2)n1 ZINC000095584699 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(CCO)cc1 ZINC000095584719 JJ Annotated Mild Cn1nccc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(Cl)c1 ZINC000095584775 JJ Annotated Mild Cn1nc(C(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095584858 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1 ZINC000095584908 JJ Annotated Anodyne Cc1c(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095584973 JJ Annotated Anodyne COc1ccc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1 ZINC000095584990 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1C1CCOCC1 ZINC000095585006 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1cccc(N)n1 ZINC000095585020 JJ Annotated Mild Cc1ccc(Oc2ccc(C#N)cc2)c(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095585045 JJ Annotated Mild Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1 ZINC000095585093 JJ Annotated Anodyne Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ccncn3)cc2Cl)ccn1 ZINC000095585122 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1cccc(F)c1 ZINC000095585129 JJ Annotated Mild N#Cc1ccc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1 ZINC000095585132 JJ Annotated Mild COc1cccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000095585228 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1cccc(CO)c1 ZINC000095585230 JJ Annotated Mild CCn1nc(C)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095585263 JJ Annotated Mild Nc1ccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)nc1 ZINC000095585291 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C2CC2)nn1-c1cc(F)ccc1F ZINC000095585336 JJ Annotated Mild Cn1nccc1-c1ccc(Cl)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095585397 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2cc(Cl)c(F)cc2-c2ccnnc2)c(F)c1 ZINC000095585441 JJ Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn[nH]n2)cc1F ZINC000095585484 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(CO)cc1 ZINC000095585491 JJ Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C)o2)C1 ZINC000095585520 JJ Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(C)o2)C1 ZINC000095585521 JJ Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1C#N ZINC000095585587 JJ Annotated Mild Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncccn3)cc2Cl)ccn1 ZINC000095585592 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cn[nH]c1 ZINC000095585639 JJ Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2cc(F)c(Cl)cc2-c2ccnnc2)cc1F ZINC000095585640 JJ Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc(Oc2ccc(Cl)cc2C2CCNCC2)c(Cl)c1 ZINC000095585657 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(Cl)ccc1-c1ccn[nH]1 ZINC000095585694 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000095585695 JJ Annotated Mild CCCn1c(-c2c[nH]c3ccc(Br)cc23)nc2ccc(N3CCN(C)CC3)nc21 ZINC000095585706 JJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1[C@@H]1CCCCO1 ZINC000095585831 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1[C@H]1CCCCO1 ZINC000095585832 JJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(Cl)c1-c1ccn[nH]1 ZINC000095585875 JJ Annotated Mild COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OCc3ccccc3F)c1C2=O ZINC000095586059 JJ Annotated Clean C[C@@H](NC(=O)[C@H]1CCCNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000095586326 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCC2)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1 ZINC000095586570 JJ Annotated Mild COc1cc2c(c(OCc3ccccc3F)c1OC)C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O ZINC000095586754 JJ Annotated Anodyne COc1cc(N2Cc3ccc(Cc4ccc(C)cc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095586762 JJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCC(CCCC4CCNCC4)CC3)[nH]c21 ZINC000095586841 JJ Annotated Clean CCC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095586942 JJ Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)nc1N1CCC(C(N)=O)CC1 ZINC000095587409 JJ Annotated Mild Cc1nn(C)cc1-c1ccc(CN2C(=O)[C@@]3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1 ZINC000095587689 JJ Annotated Anodyne Cc1nn(C)cc1-c1ccc(CN2C(=O)[C@]3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1 ZINC000095587690 JJ Annotated Anodyne COc1ccc(-c2nc(SCc3ccc(Br)cc3)nc(N3CCOCC3)c2C#N)cc1 ZINC000095587808 JJ Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000095587880 JJ Annotated Reactive CCCc1cc(S(C)(=O)=O)ccc1C(=O)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095587976 JJ Annotated Anodyne CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCCCCNC(=O)c2ccccc2NC)C1 ZINC000095588215 JJ Annotated Anodyne Cn1cc(-c2cc(F)c(CN3C(=O)[C@@]4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 ZINC000095588246 JJ Annotated Anodyne Cn1cc(-c2cc(F)c(CN3C(=O)[C@]4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 ZINC000095588247 JJ Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000095588455 JJ Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@](C)(O)C(=O)/C=C/C(C)(C)O ZINC000095588456 JJ Annotated Mild COc1ccc(Sc2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1 ZINC000095588895 JJ Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCCCN1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000095589127 JJ Annotated Anodyne COc1cc(N2Cc3ccc(Sc4ccccc4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095589447 JJ Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c21 ZINC000095589627 JJ Annotated Anodyne CCc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1Cc1c(c3ccccc3n1C)C2 ZINC000095589857 JJ Annotated Anodyne CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(C3CCCCC3)C3CCCCC3)CC1)OCO2 ZINC000095589954 JJ Annotated Anodyne CCCCCCCCCCCCOCC#CCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OCO[C@H]21 ZINC000095590024 JJ Annotated Mild O=C(CSc1nc2ccccc2o1)N/N=C/c1c[nH]nc1-c1cc(Cl)sc1Cl ZINC000095590808 JJ Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(CO)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)(C)OO)O3)O[C@@H]2C=C1C ZINC000095590930 JJ Annotated Reactive COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OCc3ccc(OC)cc3)c1C2=O ZINC000095591276 JJ Annotated Clean COc1cc2c(c(OCc3ccc(F)cc3)c1OC)C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O ZINC000095591428 JJ Annotated Anodyne COc1cc(N2Cc3ccc(Cc4ccccc4C)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095591693 JJ Annotated Anodyne Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1C(C)(C)O2 ZINC000095591703 JJ Annotated Bother CC(C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095591884 JJ Annotated Anodyne CCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccc(Br)cc1 ZINC000095591911 JJ Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)nc1N1CCC[C@H](C(N)=O)C1 ZINC000095591921 JJ Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)nc1N1CCC[C@@H](C(N)=O)C1 ZINC000095591922 JJ Annotated Mild O=c1oc2ccccc2cc1-c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095591977 JJ Annotated Anodyne CCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(Br)cc1 ZINC000095592144 JJ Annotated Anodyne O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(C(F)(F)F)C[C@@]2(O)C(F)(F)F)n1 ZINC000095592762 JJ Annotated Anodyne CCNCCCOc1ccc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095593494 JJ Annotated Anodyne CCOC(=O)c1ccccc1SN1C(=O)C(=O)c2cc(Br)cc(Br)c21 ZINC000095594885 JJ Annotated Anodyne CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(C[C@H](O)CN2CCCC2)c2ccccc12 ZINC000095595144 JJ Annotated Reactive CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(C[C@@H](O)CN2CCCC2)c2ccccc12 ZINC000095595145 JJ Annotated Reactive CCOC(=O)C1=CN(Cc2ccc(C(F)(F)F)cc2)C=C(C(=O)OCC)C1c1ccc(O)cc1 ZINC000095595483 JJ Annotated Anodyne O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(Nc2ccc(Cl)cc2)s1 ZINC000095595751 JJ Annotated Anodyne Cc1ccc(Nc2nnc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)s2)cc1 ZINC000095595754 JJ Annotated Anodyne O=C(OCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 ZINC000095596492 JJ Annotated Anodyne CCOC(=O)c1nc2c3c(ncn2n1)Oc1cc(OCC)ccc1[C@H]3c1ccc(Cl)cc1 ZINC000095596826 JJ Annotated Anodyne CCOC(=O)c1nc2c3c(ncn2n1)Oc1cc(OCC)ccc1[C@@H]3c1ccc(Cl)cc1 ZINC000095596827 JJ Annotated Anodyne CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1cccc(C)c1 ZINC000095597939 JJ Annotated Reactive CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[n+]1cccc(C)c1 ZINC000095597940 JJ Annotated Reactive C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1 ZINC000095598469 JJ Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)c(F)c3)c2)C[C@@H](C)N1 ZINC000095598560 JJ Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3Cl)c2)C[C@@H](C)N1 ZINC000095598573 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)c1 ZINC000095598855 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)cc1 ZINC000095599133 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095599331 JJ Annotated Anodyne O=C1c2ccccc2-n2nnc(-c3ccccc3)c2[C@H]2c3cc(Br)ccc3CCN12 ZINC000095599385 JJ Annotated Anodyne O=C1c2ccccc2-n2nnc(-c3ccccc3)c2[C@@H]2c3cc(Br)ccc3CCN12 ZINC000095599386 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)c1 ZINC000095599397 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095599736 JJ Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095600019 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095600042 JJ Annotated Mild O=S(=O)(c1cc(Cl)cc(Cl)c1)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 ZINC000095600104 JJ Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095600267 JJ Annotated Mild O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095600452 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2Cc2ccccc2)CC1 ZINC000095600560 JJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2Cc2ccccc2)CC1 ZINC000095600561 JJ Annotated Anodyne O=C1NC[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000095600662 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095600754 JJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2onc(-c3ccc(-n4cc(C5=CCCCC5)nn4)cc3)c2C1=O ZINC000095600837 JJ Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccncc2)n2c(=O)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000095601250 JJ Annotated Anodyne COc1ccc(NC(=O)[C@H](c2ccncc2)n2c(=O)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000095601251 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095601313 JJ Annotated Anodyne COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095601353 JJ Annotated Reactive COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000095601354 JJ Annotated Reactive COc1cc(Cl)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 ZINC000095601548 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095601642 JJ Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095602006 JJ Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095602038 JJ Annotated Mild CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc5ccn(C)c5c4)cc3)cc2S1(=O)=O ZINC000095602116 JJ Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc5ccn(C)c5c4)cc3)cc2S1(=O)=O ZINC000095602117 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095602297 JJ Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095602307 JJ Annotated Mild COc1cc(Br)c([S@](=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC ZINC000095602581 JJ Annotated Anodyne COc1cc(Br)c([S@@](=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC ZINC000095602582 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)c1 ZINC000095602680 JJ Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(C#N)cc4)c3)n1)[C@@H](CCO)N(C(=O)CC)C2 ZINC000095602699 JJ Annotated Mild Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(C)c5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095603127 JJ Annotated Anodyne O=C(Nc1ccc(Nc2ncnc3[nH]cnc23)cc1)c1cccn(-c2cccc(C(F)(F)F)c2)c1=O ZINC000095603262 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095603432 JJ Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095603433 JJ Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2S1(=O)=O ZINC000095603612 JJ Annotated Mild CC[C@H](C(=O)O)N1Cc2sc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2S1(=O)=O ZINC000095603613 JJ Annotated Mild CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000095603675 JJ Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095603733 JJ Annotated Mild CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=N1 ZINC000095603900 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO ZINC000095604011 JJ Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccccc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095604271 JJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095604272 JJ Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cnn(Cc5ccccc5)c4)cc3)cc2S1(=O)=O ZINC000095604504 JJ Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cnn(Cc5ccccc5)c4)cc3)cc2S1(=O)=O ZINC000095604505 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(c2ccccc2F)CC1 ZINC000095605173 JJ Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(c2ccccc2F)CC1 ZINC000095605174 JJ Annotated Anodyne CN1CC[C@H](Oc2cc(NCc3c(Br)ccc4c3OCO4)ccc2C(F)(F)F)C1 ZINC000095605283 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095605405 JJ Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095605406 JJ Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(CCC2=CCCCC2)C1=O ZINC000095605408 JJ Annotated Anodyne CN1CC[C@H](Oc2cc(NCc3cc4c(cc3Br)OCO4)ccc2C(F)(F)F)C1 ZINC000095605572 JJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095605657 JJ Annotated Anodyne CCc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(-c2ccnn2C)c1 ZINC000095608638 JJ Annotated Mild C[C@@H]1C[C@H]([C@@H](O)C(C)(C)O)O[C@H]2C(=O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12 ZINC000095627960 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(CC2CCCC2)CC1 ZINC000095661735 JJ Annotated Anodyne N#Cc1ccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@H](CCO)N(CC3CCOCC3)C4)c2)cc1 ZINC000095662841 JJ Annotated Mild N#Cc1ccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@@H](CCO)N(CC3CCOCC3)C4)c2)cc1 ZINC000095663134 JJ Annotated Mild O=C1N[C@H](c2ccccc2)COCc2cnnn2CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095663945 JJ Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cnnn2CC[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095664683 JJ Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095664780 JJ Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095665121 JJ Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(C(=O)Nc3ccncc3)cccc2C1=O ZINC000095665560 JJ Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665579 JJ Annotated Anodyne O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCC1 ZINC000095665726 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095665750 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCC2)CC1 ZINC000095665752 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095665876 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095665877 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(CC2CCCC2)CC1 ZINC000095666183 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(CC2CCCC2)CC1 ZINC000095666185 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)Nc2ccccc2)CC1 ZINC000095666648 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)Nc2ccccc2)CC1 ZINC000095666650 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666692 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666693 JJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095668798 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675633 JJ Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675634 JJ Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675635 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675636 JJ Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675637 JJ Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675638 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095675639 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095675853 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095675854 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095675855 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095675856 JJ Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095675857 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679540 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679541 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679542 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679543 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679544 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679545 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095679546 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095679547 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680426 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680428 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680430 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680431 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680433 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680434 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680435 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680859 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680861 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680862 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680863 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680865 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccc1F)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680866 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680867 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680868 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(F)cc1)[C@@H](C)CO2 ZINC000095686983 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(F)cc1)[C@H](C)CO2 ZINC000095686984 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(F)cc1)[C@H](C)CO2 ZINC000095686985 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(F)cc1)[C@@H](C)CO2 ZINC000095686986 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccc(F)cc1)[C@H](C)CO2 ZINC000095686987 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(F)cc1)[C@H](C)CO2 ZINC000095686988 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(F)cc1)[C@@H](C)CO2 ZINC000095686989 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccc(F)cc1)[C@@H](C)CO2 ZINC000095686990 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095687765 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687766 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095687767 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687768 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687769 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095687770 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095687771 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095687772 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095688791 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095688792 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095688793 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095688794 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095688795 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095688796 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccc1F)[C@@H](C)CO2 ZINC000095688797 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccc1F)[C@H](C)CO2 ZINC000095688798 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095688969 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095688970 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095688971 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095688972 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095688973 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095688974 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccc(F)c1)[C@@H](C)CO2 ZINC000095688975 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccc(F)c1)[C@H](C)CO2 ZINC000095688976 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095689647 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095689649 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095689650 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095689652 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095692122 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(CC2CCCCC2)C[C@@H]1C ZINC000095692295 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095692422 JJ Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095692552 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(F)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692830 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(F)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693013 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(F)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693101 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(F)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095693167 JJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095701368 JJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095701369 JJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701649 JJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095701650 JJ Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095701651 JJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095701652 JJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701653 JJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095701654 JJ Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCCCC1 ZINC000095701684 JJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCCCC1 ZINC000095701685 JJ Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095709203 JJ Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)CC1CCCC1 ZINC000095709204 JJ Annotated Anodyne COc1ccc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 ZINC000095749240 JJ Annotated Anodyne COc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 ZINC000095749241 JJ Annotated Anodyne COc1ccc(OC)c(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 ZINC000095749244 JJ Annotated Anodyne COc1ccc(OC)c(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 ZINC000095749245 JJ Annotated Anodyne COc1ccc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1OC ZINC000095749262 JJ Annotated Anodyne COc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1OC ZINC000095749263 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000095749268 JJ Annotated Anodyne COc1cc(OC)c(OC)cc1CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000095749269 JJ Annotated Anodyne COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1 ZINC000095771721 JJ Annotated Clean O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCC1 ZINC000095784277 JJ Annotated Anodyne CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000095784289 JJ Annotated Anodyne COc1ccc(COC[C@]23N=C4SCc5ccccc5CN4[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000095784837 JJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@H]1CCO ZINC000095793482 JJ Annotated Anodyne CCCc1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3cccc(OC)c3)cc2)nn1 ZINC000095793492 JJ Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095793534 JJ Annotated Anodyne CCCc1cn([C@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3cccc(OC)c3)cc2)nn1 ZINC000095793546 JJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095793547 JJ Annotated Anodyne CCCc1cn([C@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(C#CCc3ccccc3)cc2)nn1 ZINC000095793549 JJ Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H](CO)N3C)cc1 ZINC000095793600 JJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@@H]1CCO ZINC000095793617 JJ Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793659 JJ Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095793660 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CCN(Cc2ccccc2F)CC1 ZINC000095793778 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(CC2CC2)CC1 ZINC000095793783 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CCN(CC2CC2)CC1 ZINC000095793785 JJ Annotated Anodyne CCCc1cn([C@@H]2C[C@@H]3O[C@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(-c3cccc(OC)c3)cc2)nn1 ZINC000095794043 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(F)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095795941 JJ Annotated Anodyne CCCc1cn([C@H]2C[C@@H]3O[C@@H](CO)CC[C@@H]3O[C@@H]2CCc2ccc(C#CCc3ccccc3)cc2)nn1 ZINC000095796001 JJ Annotated Mild CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccccc4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095796098 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(CC2CCCC2)CC1 ZINC000095796336 JJ Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccccc3Cl)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095796723 JJ Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccccc3Cl)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095796724 JJ Annotated Anodyne O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1)N1CCCCCCC1 ZINC000095797747 JJ Annotated Anodyne COc1ccc(-c2noc([C@@H]3C=C4C=CC=C[C@@H]4O/C3=N\c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000095798562 JJ Annotated Mild COc1ccc(-c2noc([C@H]3C=C4C=CC=C[C@@H]4O/C3=N\c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000095798563 JJ Annotated Mild COc1ccc(-c2noc([C@@H]3C=C4C=CC=C[C@H]4O/C3=N\c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000095798564 JJ Annotated Mild COc1ccc(-c2noc([C@H]3C=C4C=CC=C[C@H]4O/C3=N\c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000095798565 JJ Annotated Mild C=C/C=C/[C@@H]1C(=C)CN([C@@H](Cc2ccc(N=[N+]=[N-])cc2)C(=O)OC)[C@H]1[C@@H](O)Cc1ccccc1 ZINC000095808723 JJ Annotated Mild COC(=O)[C@H](Cc1ccc(N=[N+]=[N-])cc1)N1CC(/C=C/[C@@H](O)Cc2ccccc2)=C[C@@H](C2CC2)O1 ZINC000095808725 JJ Annotated Mild C#CCN(O[C@@H](/C=C/[C@@H](O)Cc1ccccc1)C1CC1)[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)OC ZINC000095808929 JJ Annotated Mild C#CCN([C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)OC)[C@H](/C=C/C1CC1)[C@@H](O)Cc1ccccc1 ZINC000095809251 JJ Annotated Mild O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)s1 ZINC000095809373 JJ Annotated Reactive CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)CCCC1 ZINC000095809764 JJ Annotated Reactive CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095864597 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CCCCC2)CC1 ZINC000095864628 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CCCCC2)CC1 ZINC000095864670 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCCC)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095864694 JJ Annotated Anodyne CCCNC(=O)N1CC2(CCN(CC3CCCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095864739 JJ Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(F)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095864740 JJ Annotated Anodyne CCCNC(=O)N1CC2(CCN(CC3CCCCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095864741 JJ Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000095864784 JJ Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(C#N)cc4)c3)n1)[C@H](CCO)N(C(=O)CC)C2 ZINC000095865031 JJ Annotated Mild CCC(=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095865063 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(CC2CC2)CC1 ZINC000095865125 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(CC2CC2)CC1 ZINC000095865126 JJ Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccccc4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095865276 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(CC2CC2)CC1 ZINC000095865368 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(CC2CC2)CC1 ZINC000095865369 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865402 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865403 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865609 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(Cc2ccc(F)cc2)CC1 ZINC000095865964 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(Cc2ccc(F)cc2)CC1 ZINC000095865966 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCCC)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095867457 JJ Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095867472 JJ Annotated Anodyne CCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095867526 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCC1)CC31CN(C(=O)Nc2ccccc2)C1 ZINC000095867607 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCC1)CC31CN(C(=O)Nc2ccccc2)C1 ZINC000095867608 JJ Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)N3CCCCC3)cc3c2[C@@H](CCO)N(C(=O)NC(C)C)C3)c1 ZINC000095868094 JJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095868346 JJ Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(CC2CCCCC2)C[C@H]1C ZINC000095868383 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1ccccc1Cl)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868512 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(Cc2nccs2)C1 ZINC000095868519 JJ Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(Cc2nccs2)C1 ZINC000095868520 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(CC2CC2)CC1 ZINC000095868524 JJ Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(CC2CC2)CC1 ZINC000095868525 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1ccccc1Cl)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868551 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868613 JJ Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1cccc(Cl)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868614 JJ Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868859 JJ Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868860 JJ Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000095871953 JJ Annotated Anodyne CC(C)N1C[C@H](CN(C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872326 JJ Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000095872536 JJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095872579 JJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095872580 JJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095872587 JJ Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)O)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095872588 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095873113 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095873114 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 ZINC000095873115 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095873116 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095873117 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095873118 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095873119 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 ZINC000095873120 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)cc1 ZINC000095873325 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(C)c5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873326 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cccc(C)c5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095873327 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@H]34)cc2)cc1 ZINC000095873328 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)cc1 ZINC000095873329 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@H]34)cc2)cc1 ZINC000095873330 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)cc1 ZINC000095873331 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873332 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095873333 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095873334 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095873335 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873336 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095873337 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873338 JJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873339 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873347 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873348 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095873349 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873350 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873351 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095873352 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095873353 JJ Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873488 JJ Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873489 JJ Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873490 JJ Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873491 JJ Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873492 JJ Annotated Mild O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873493 JJ Annotated Mild Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@H]34)cc2)c1 ZINC000095873675 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)c1 ZINC000095873676 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cccc(C)c5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873677 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)c1 ZINC000095873678 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@H]34)cc2)c1 ZINC000095873679 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cccc(C)c5)C[C@@H]34)cc2)c1 ZINC000095873680 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5C)CCCCN4[C@H]3CO)cc2)c1 ZINC000095873711 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)c1 ZINC000095873712 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@H]34)cc2)c1 ZINC000095873713 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@H]34)cc2)c1 ZINC000095873714 JJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)c1 ZINC000095873715 JJ Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873716 JJ Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873717 JJ Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873718 JJ Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873719 JJ Annotated Mild O=C(Nc1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873720 JJ Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873724 JJ Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873725 JJ Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095873726 JJ Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873727 JJ Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095873728 JJ Annotated Mild O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095873729 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874023 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874024 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874025 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874026 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874027 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874028 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874029 JJ Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874341 JJ Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874342 JJ Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874343 JJ Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874344 JJ Annotated Mild O=C(Nc1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874345 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095874804 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095874805 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095874806 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095874807 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095874808 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095874809 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095874810 JJ Annotated Anodyne COc1ccc(C#Cc2ccc([C@H]3[C@H]4CN(Cc5ccccc5F)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874866 JJ Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccccc5F)C[C@@H]34)cc2)cc1 ZINC000095874867 JJ Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5ccccc5F)C[C@H]34)cc2)cc1 ZINC000095874868 JJ Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5ccccc5F)C[C@@H]34)cc2)cc1 ZINC000095874869 JJ Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccccc5F)C[C@H]34)cc2)cc1 ZINC000095874870 JJ Annotated Mild COc1ccc(C#Cc2ccc([C@H]3[C@H](CO)N4CCCCN(Cc5ccccc5F)C[C@@H]34)cc2)cc1 ZINC000095874871 JJ Annotated Mild COc1ccc(C#Cc2ccc([C@@H]3[C@H]4CN(Cc5ccccc5F)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874872 JJ Annotated Mild Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)cc1 ZINC000095874880 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5C)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095874881 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)cc1 ZINC000095874882 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)cc1 ZINC000095874883 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@H]34)cc2)cc1 ZINC000095874884 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@H]34)cc2)cc1 ZINC000095874885 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)cc1 ZINC000095874886 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875128 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095875129 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875130 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccc(F)cc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875131 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875132 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095875133 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875134 JJ Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccc(F)cc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875135 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@H]3C2)cc1 ZINC000095875273 JJ Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095875274 JJ Annotated Mild O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095875374 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095875375 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095875376 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095875377 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095875378 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095875379 JJ Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095875380 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1 ZINC000095875534 JJ Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CCC(C)C)cc2)[C@@H]3CO)cc1 ZINC000095875535 JJ Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CCC(C)C)cc2)[C@@H]3CO)cc1 ZINC000095875536 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875576 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875577 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875578 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875579 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1 ZINC000095875580 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095875581 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)CCCCN4[C@H]3CO)cc2)cc1 ZINC000095875582 JJ Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@H]34)cc2)cc1 ZINC000095875583 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875624 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875625 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875626 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875627 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095875628 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095875629 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095875630 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095877139 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO ZINC000095877140 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095877141 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000095877142 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095877143 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000095877144 JJ Annotated Mild COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095877145 JJ Annotated Mild COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095877162 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095877163 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095877164 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1 ZINC000095877165 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)cc1 ZINC000095877166 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1 ZINC000095877167 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)cc1 ZINC000095877168 JJ Annotated Anodyne COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1 ZINC000095877169 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095877275 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877276 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877277 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877278 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095877279 JJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095877280 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CC[C@H]2[C@@H]1c1cc(C#Cc3ccc(F)cc3)ccc1N(C)[C@H]2CO ZINC000095877526 JJ Annotated Mild COc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccc(F)cc3)ccc1N(C)[C@@H]2CO ZINC000095877527 JJ Annotated Mild COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)cc1 ZINC000095877539 JJ Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(F)cc4)ccc2N(C)[C@H]3CO)cc1 ZINC000095877540 JJ Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2F)[C@@H]1CO ZINC000095877541 JJ Annotated Mild COc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO ZINC000095877560 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877561 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO ZINC000095877562 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO ZINC000095877563 JJ Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@@H]32)cc1 ZINC000095877575 JJ Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2c2cc(-c4cccc(F)c4)ccc2N(C)[C@H]3CO)cc1 ZINC000095877576 JJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Nc2ccccc2OC)[C@@H](CO)N3C)c1 ZINC000095877587 JJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Nc2ccccc2OC)[C@H](CO)N3C)c1 ZINC000095877588 JJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2OC)[C@@H](CO)N3C)c1 ZINC000095877589 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C4=CCCCC4)ccc2N(C)[C@H]3CO)cc1 ZINC000095877707 JJ Annotated Clean COc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878090 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N(C)[C@H]2CO ZINC000095878092 JJ Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)cc1 ZINC000095878269 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccccc2F)[C@@H](CO)N3)c1 ZINC000095878436 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2ccccc2F)[C@@H](CO)N3)c1 ZINC000095878437 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2ccccc2F)[C@H](CO)N3)c1 ZINC000095878438 JJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccccc2F)[C@H](CO)N3)c1 ZINC000095878439 JJ Annotated Anodyne COc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N(C)[C@@H]2CO ZINC000095878737 JJ Annotated Mild CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(C(C)C)cc3)O[C@@H]1CO2 ZINC000095891973 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095893612 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095893613 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095893614 JJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095893615 JJ Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095898835 JJ Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095898836 JJ Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095898842 JJ Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095898967 JJ Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095898968 JJ Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095898969 JJ Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095898970 JJ Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095898971 JJ Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095898972 JJ Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095898973 JJ Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095898974 JJ Annotated Anodyne C[C@@H]1C[C@@H]([C@@H](O)C(C)(C)O)O[C@H]2C(=O)[C@@]3(C)C4=C(CC[C@]3(C)[C@@H]12)C[C@]12CC[C@H](O1)C(C)(C)[C@H]2CC4 ZINC000095908891 JJ Annotated Anodyne in-vitro biogenic CC[C@]1(C)C=Cc2c(cc(O)c3c2O[C@@H]2c4ccc(O)cc4O[C@H](C(C)(C)O)C[C@@H]2C3=O)O1 ZINC000095909671 JJ Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 ZINC000095910110 JJ Annotated Anodyne Oc1ccc([C@@H]2[C@@H]3c4cc(O)cc(O)c4[C@H]2c2cc(O)cc(O)c2[C@@H]3c2ccc(O)cc2O)cc1 ZINC000095911766 JJ Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(O)cc(O)cc4[C@H]2[C@H]3c2ccc(O)cc2O)cc1 ZINC000095911958 JJ Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)C2=C3[C@](C)(O)[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4 ZINC000095912653 JJ Annotated Anodyne in-vitro biogenic C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3OC)oc12 ZINC000095912671 JJ Annotated Mild in-vitro biogenic COc1ccc([C@H]2O[C@@H](OC(=O)CC(C)C)[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1OC ZINC000095913580 JJ Annotated Anodyne in-vitro biogenic COCC1=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@@H](CC(C)=O)C1=O ZINC000095913638 JJ Annotated Reactive in-vitro biogenic COc1cc2oc3cc(OC)c(OC)c(/C=C\C(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C ZINC000095913676 JJ Annotated Bother in-vitro biogenic COCC1=CC[C@](C)(C/C=C/C(C)(C)OO)[C@@H](/C=C/OC(=O)C=C(C)C)[C@H](CC(C)=O)C1=O ZINC000095913719 JJ Annotated Reactive in-vitro biogenic CC(=O)N1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@@]2(O)C(=N1)C[C@@H]1C[C@@H](C)C[C@H]3[C@@H]1C[C@@H]2CN3C ZINC000095914132 JJ Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)[C@@H](O)O1 ZINC000095914150 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O ZINC000095914902 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@@H]3O ZINC000095914910 JJ Annotated Anodyne CO[C@]12C=C3C(=O)c4c(O)cc5c(c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O)C(C)(C)[C@@H](C)O5 ZINC000095915103 JJ Annotated Mild in-vitro biogenic CO[C@]12C=C3C(=O)c4c(O)cc5c(c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O)C(C)(C)[C@H](C)O5 ZINC000095915104 JJ Annotated Mild in-vitro biogenic CCN1CCC[C@H]2[C@@H]1C[C@@H](C)C[C@@H]2C[C@H]1CC[C@@]2(O)[C@H](C[C@@H]3C[C@@H](C)C[C@H]4[C@@H]3C[C@@H]2CN4C)N1 ZINC000095918967 JJ Annotated Anodyne in-vitro biogenic CCN1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@]4(O)[C@H](C[C@@H]5C[C@@H](C)C[C@H]6[C@@H]5C[C@@H]4CN6C)N3)C[C@H](C)C[C@H]21 ZINC000095918968 JJ Annotated Anodyne in-vitro biogenic C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@H]1[C@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC(=O)OC ZINC000095919280 JJ Annotated Mild in-vitro biogenic CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CC/C=C/C(C)(C)OO)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000095919358 JJ Annotated Reactive in-vitro biogenic C/C=C/[C@@H]1O[C@@H]([C@H](O)/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@H](O)CCCC(=O)O)C[C@@H](O)[C@@H]1C ZINC000095920529 JJ Annotated Anodyne C=C1C[C@H]2/C=C(\C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C/C=C(/C)CC(=O)CCC[C@@H](C1)O2 ZINC000095920530 JJ Annotated Mild C=COC(=O)N1CCc2c(sc(NC(=O)Cc3cccs3)c2C(=O)OC2CCCC2)C1 ZINC000095920623 JJ Annotated Anodyne NC(=O)c1cccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c1C(F)(F)F ZINC000095920673 JJ Annotated Anodyne O=C1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]2CNC[C@@H]2N1C(c1ccccc1)c1ccccc1 ZINC000095920838 JJ Annotated Anodyne COc1c(-c2nc3cc(NS(C)(=O)=O)ccc3o2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000095920967 JJ Annotated Anodyne COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000095920968 JJ Annotated Anodyne Cc1ccccc1OCCSc1nnc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)n1C ZINC000095921162 JJ Annotated Anodyne COc1ccc(/C=c2\c(=O)n(-c3nc4ccccc4s3)[nH]\c2=C/Sc2ccc(Cl)cc2)cc1 ZINC000095926850 JJ Annotated Anodyne COc1ccc2c(c1)[C@@H](NS(C)(=O)=O)[C@H](C)[C@@H](c1ccccc1)N2Cc1cccc(F)c1 ZINC000096018418 JJ Annotated Anodyne COc1ccc(NC(=O)N2c3ccc(OC)cc3[C@@H](NS(C)(=O)=O)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000096018428 JJ Annotated Anodyne COC(=O)[C@]12C=C3CC(c4ccc(C(F)(F)F)cc4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 ZINC000096018513 JJ Annotated Anodyne COC(=O)[C@@]12C=C3CC(c4ccc(C(F)(F)F)cc4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 ZINC000096018514 JJ Annotated Anodyne COC(=O)[C@]12C=CCN1[C@H](c1ccccc1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018527 JJ Annotated Anodyne Cc1ccc(Cn2cc(CN(C(C)(C)C)S(=O)(=O)c3ccc(F)cc3Br)nn2)cc1 ZINC000096019913 JJ Annotated Anodyne CC(C)(C)N(Cc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019915 JJ Annotated Anodyne CC(C)(C)N(Cc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019958 JJ Annotated Anodyne CCCCCCCCNS(=O)(=O)/C=C/c1ccc(OC)cc1CNC(=O)OC(C)(C)C ZINC000096020278 JJ Annotated Anodyne CC(C)C[C@H]1COc2ccc(Cl)cc2S(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000096021296 JJ Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2N2CCCCC2)O1 ZINC000096021324 JJ Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2N2CCCCC2)O1 ZINC000096021325 JJ Annotated Anodyne C#CCN1C[C@H](COc2ccccc2)Oc2cccc(Oc3ccc(SC)c(C)c3)c2S1(=O)=O ZINC000096021336 JJ Annotated Anodyne C#CCN1C[C@@H](COc2ccccc2)Oc2cccc(Oc3ccc(SC)c(C)c3)c2S1(=O)=O ZINC000096021337 JJ Annotated Anodyne CCCC(=O)OC[C@H]1CN(C2CCCC2)S(=O)(=O)c2c(Oc3ccc(F)cc3)cccc2O1 ZINC000096021349 JJ Annotated Anodyne CCCC(=O)OC[C@H]1CN(C2CCCC2)S(=O)(=O)c2c(Oc3ccccc3)cccc2O1 ZINC000096021351 JJ Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C=C(O)C(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000096086194 JJ Annotated Anodyne in-vitro CC1(C)C[C@H](O)[C@@]23[C@H](O)C[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(O[C@H]2O)[C@@H]3C1 ZINC000096086483 JJ Annotated Anodyne in-vitro CC1=CC(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)=C(C)[C@@H]1CCc1cccs1 ZINC000096142458 JJ Annotated Mild CC1=CC(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)=C(C)[C@H]1CCc1cccs1 ZINC000096142459 JJ Annotated Mild CC1=CC(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)=C(C)[C@@H]1CCc1cccs1 ZINC000096142460 JJ Annotated Mild CC1=CC(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)=C(C)[C@H]1CCc1cccs1 ZINC000096142461 JJ Annotated Mild N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167917 JJ Annotated Anodyne N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096167918 JJ Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O)C(C)C ZINC000096168512 JJ Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O)C(C)C ZINC000096168520 JJ Annotated Anodyne C/C(=N\NC(=O)Nc1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169114 JJ Annotated Reactive C/C(=N\Nc1nc2ccccc2o1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169120 JJ Annotated Mild CN1CCN(c2ccc(Cc3nc4c(-c5ccc(C(F)(F)F)cc5)cccn4n3)cc2)CC1 ZINC000096169590 JJ Annotated Anodyne CN1CCN(c2cccc(Cc3nc4c(-c5ccc(C(F)(F)F)cc5)cccn4n3)c2)CC1 ZINC000096169591 JJ Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnn(-c2ccccc2)c1 ZINC000096170127 JJ Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NC2CCOCC2)nc1 ZINC000096170170 JJ Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000096170271 JJ Annotated Anodyne Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1 ZINC000096170427 JJ Annotated Anodyne CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 ZINC000096170437 JJ Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170453 JJ Annotated Mild CC[C@@H](Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br)C(C)(C)O ZINC000096170630 JJ Annotated Anodyne CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172098 JJ Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C=O)n(Cc3ccccn3)c2c1 ZINC000096172129 JJ Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CO)n(Cc3ccccn3)c2c1 ZINC000096172130 JJ Annotated Anodyne COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 ZINC000096172210 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccsc13)=NC2 ZINC000096172395 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccsc13)=NC2 ZINC000096172396 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccsc13)=NC2 ZINC000096172397 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccsc13)=NC2 ZINC000096172398 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccccc13)=NC2 ZINC000096172424 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccccc13)=NC2 ZINC000096172425 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccccc13)=NC2 ZINC000096172426 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(Nc1nc(Cl)nc3ccccc13)=NC2 ZINC000096172427 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(Nc1cccc(C(F)(F)F)n1)=NC2 ZINC000096172456 JJ Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1cccc(C(F)(F)F)n1)=NC2 ZINC000096172457 JJ Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)NC3=NC(CN(C)C)=CC3)c3ncccc23)c1F ZINC000096173434 JJ Annotated Anodyne CN1CCC(N(C)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174021 JJ Annotated Anodyne CCOC(=O)N1CCC(NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174022 JJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000096174034 JJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F ZINC000096174045 JJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(F)c1 ZINC000096174046 JJ Annotated Anodyne Cc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096174048 JJ Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1 ZINC000096174050 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096174051 JJ Annotated Anodyne CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1Cc2ccc(CNCC(C)(C)C)cc2C1 ZINC000096174225 JJ Annotated Anodyne CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1Cc2ccc(CN3CC4CCC3CC4)cc2C1 ZINC000096174227 JJ Annotated Anodyne O=C1c2ccc(OC[C@@H]3CCCO3)cc2CCN1[C@@H]1Cc2ccc(CNC3CCCCC3)cc2C1 ZINC000096174240 JJ Annotated Anodyne CC(=O)N1CCC(c2ccc(Nc3nc(-c4cnn(CC(C)C)c4)cc4cc[nH]c(=O)c34)cc2)CC1 ZINC000096174445 JJ Annotated Anodyne COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC(C)=O)CC4)cc3)n2)c1 ZINC000096174452 JJ Annotated Anodyne Cc1cc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)ccc1C1CCN(C2CC2)CC1 ZINC000096174455 JJ Annotated Anodyne O=C1N=C(N2CCN(CCCc3ccncc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000096174487 JJ Annotated Clean CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NCC)n2)c1Cl ZINC000096174557 JJ Annotated Anodyne CCCS(=O)(=O)Cc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(N)n2)c1F ZINC000096174572 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c31)[C@H]1CC[C@@H](C2)N1 ZINC000096175210 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c31)[C@@H]1CC[C@H](C2)N1 ZINC000096175211 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccccc5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175266 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccccc5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175267 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(C(F)(F)F)c5[nH]ccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175270 JJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(C(F)(F)F)c5[nH]ccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175271 JJ Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OCc3ccccc3)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175317 JJ Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OCc3ccccc3)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175318 JJ Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2ccc(C3=CCNCC3)nc12 ZINC000096175771 JJ Annotated Anodyne CCC(CC)[C@H]1C(C(=O)c2ccc(C(=O)N(C)C)cc2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176363 JJ Annotated Mild CCNC(=O)c1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2C(CC)CC)cc1 ZINC000096176364 JJ Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176390 JJ Annotated Mild COc1ccccc1[C@H]1C(C(=O)C2(CO)CCCCC2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176391 JJ Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4nc(C)no4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176392 JJ Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4nnc(C)o4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000096176393 JJ Annotated Mild COc1ccc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccc3OC)nc2c1 ZINC000096176398 JJ Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176411 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3nccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176442 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccco3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176445 JJ Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000096176450 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176458 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC#N ZINC000096176462 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096176487 JJ Annotated Mild COCCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176488 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176489 JJ Annotated Mild CN(C)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176495 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(N)=O ZINC000096176509 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cc[nH]c3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176512 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000096176513 JJ Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCCO ZINC000096176517 JJ Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176521 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000096176523 JJ Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176526 JJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccnc1OCCO ZINC000096176529 JJ Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(=N)NO ZINC000096176574 JJ Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176577 JJ Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176582 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096176626 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176629 JJ Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(I)cc1 ZINC000096176633 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176661 JJ Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)cc2)no1 ZINC000096176664 JJ Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)F)cc2)no1 ZINC000096176665 JJ Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176667 JJ Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176668 JJ Annotated Mild COc1ccc(CC(=O)C2=C(O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)[C@H]2C2CCCCC2)cc1 ZINC000096176683 JJ Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000096176697 JJ Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1ccccc1OCCO ZINC000096176702 JJ Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176709 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000096176761 JJ Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000096176763 JJ Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(C2=NCCS2)cc1 ZINC000096176765 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000096176768 JJ Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176784 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176786 JJ Annotated Mild COc1ccccc1[C@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176818 JJ Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccnc3OCCCO)cc2)o1 ZINC000096176829 JJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000096176832 JJ Annotated Mild O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@H](C2CCCCC2)N1c1ccc(-c2ccon2)cc1 ZINC000096176833 JJ Annotated Anodyne COCCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176835 JJ Annotated Mild COCCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176842 JJ Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(S(=O)(=O)c4ccccc4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000096176850 JJ Annotated Anodyne CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1N1CCOCC1 ZINC000096176876 JJ Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(N)=O)cc2)o1 ZINC000096176887 JJ Annotated Mild CCOCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176893 JJ Annotated Mild CCOCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176894 JJ Annotated Mild CCOCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096176896 JJ Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3S(C)(=O)=O)cc2)o1 ZINC000096176899 JJ Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1OCCCO ZINC000096176915 JJ Annotated Mild COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176918 JJ Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(N)=O)cc2)s1 ZINC000096176923 JJ Annotated Mild CNC(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176924 JJ Annotated Mild COc1ccccc1[C@H]1c2c(C(C)(C)COC(C)=O)n[nH]c2C(=O)N1c1ccc(SC)cc1 ZINC000096176958 JJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCCO)N(c1ccc(-c3nccs3)cc1)C2=O ZINC000096176962 JJ Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)c4[nH]nc(C(C)(C)C)c4[C@@H]3c3ccccc3OCCO)cc2)on1 ZINC000096176963 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2nc(C)no2)cc1 ZINC000096176972 JJ Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096176973 JJ Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176976 JJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCC(=O)O)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096176977 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176981 JJ Annotated Anodyne COCCOc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(SC)cc1 ZINC000096177042 JJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177047 JJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3cccs3)cc1)C2=O ZINC000096177050 JJ Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177053 JJ Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177058 JJ Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC(=O)CN)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177059 JJ Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1cccnc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177060 JJ Annotated Anodyne CNC(=O)COc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177061 JJ Annotated Anodyne COCc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000096177077 JJ Annotated Anodyne CC(C)c1n[nH]c2c1[C@@H](c1ccccc1C(=O)NCCO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177099 JJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177117 JJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177118 JJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1S(C)(=O)=O)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177120 JJ Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2nccs2)cc1 ZINC000096177149 JJ Annotated Anodyne CCC(CC)(CO)c1n[nH]c2c1[C@@H](c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177153 JJ Annotated Anodyne CNC(=O)C(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177178 JJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(=O)N(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177188 JJ Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OC(CO)CO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177243 JJ Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000096177258 JJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cn1 ZINC000096177271 JJ Annotated Anodyne C=CC(=O)NCc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1 ZINC000096177471 JJ Annotated Anodyne C=CC(=O)N1CCc2cc(C(=O)Cc3ccc(C)c(Cc4nccc(-c5cccnc5)n4)c3)ccc2C1 ZINC000096177473 JJ Annotated Anodyne CCc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@@H](O)[C@H](N)C3)n2)c1F ZINC000096177658 JJ Annotated Anodyne CCc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)n2)c1F ZINC000096177660 JJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2nc(-c3c(F)cc(O)cc3F)ccc2F)C1 ZINC000096177685 JJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C1 ZINC000096177694 JJ Annotated Anodyne CCCOc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)ccc2F)c1 ZINC000096177705 JJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)ccc(O)c3F)n2)C1 ZINC000096177772 JJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1 ZINC000096177775 JJ Annotated Anodyne N[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnc3cc(-c4ccc(F)cc4)cnn23)cs1 ZINC000096177973 JJ Annotated Anodyne N[C@@H]1CCCC(F)(F)[C@H]1NC(=O)c1cc(-c2cnc3cc(-c4ccc(F)cc4)cnn23)cs1 ZINC000096177974 JJ Annotated Anodyne CN(Cc1nnn(C)n1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000096248109 JJ Annotated Anodyne OC[C@H](O)CN1[C@@H](CCc2ccc(OC(F)F)cc2)CC[C@H]1CCc1ccc(OC(F)F)cc1 ZINC000096269930 JJ Annotated Anodyne Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000096270537 JJ Annotated Anodyne O=C1NC2=C(CNC/C2=C\c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1 ZINC000096270594 JJ Annotated Anodyne O=C1NC2=C(CNC/C2=C\c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)N1 ZINC000096270595 JJ Annotated Anodyne CCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(F)c(F)c1F ZINC000096272291 JJ Annotated Anodyne CCCCc1ccc(C(=O)Nc2ccc(-c3cnc(C(=O)N[C@H](C(=O)O)C(C)C)s3)cc2)nc1 ZINC000096272768 JJ Annotated Anodyne COc1ccnc(Oc2ccc3c(c2)c(=O)ncn3Cc2ccc(F)cc2F)c1C(F)(F)F ZINC000096272942 JJ Annotated Anodyne O=C(c1cc(-c2c(O)c([N+](=O)[O-])cc(F)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@H]1CCc2ccccc21 ZINC000096273549 JJ Annotated Bother O=C(c1cc(-c2c(O)c([N+](=O)[O-])cc(F)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H]1CCc2ccccc21 ZINC000096273550 JJ Annotated Bother COc1ccc(-n2c(S)nnc2-c2csc(NC(=S)Nc3ccccc3)n2)c(OC)c1 ZINC000096282325 JJ Annotated Anodyne COc1nc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 ZINC000096282617 JJ Annotated Anodyne COc1cc(-c2nc3n(n2)CCO[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 ZINC000096282618 JJ Annotated Anodyne Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000096282652 JJ Annotated Anodyne Cc1c(S(=O)(=O)Cc2ccccc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000096282659 JJ Annotated Anodyne COC(=O)c1cc(Br)cc(Br)c1NC(=O)CCSc1ccccn1 ZINC000096283145 JJ Annotated Anodyne CCS(=O)(=O)NC[C@@H](C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283837 JJ Annotated Anodyne CCS(=O)(=O)NC[C@H](C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283838 JJ Annotated Anodyne CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283846 JJ Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 ZINC000096284132 JJ Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 ZINC000096284133 JJ Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000096284134 JJ Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000096284135 JJ Annotated Reactive COc1cc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC ZINC000096284158 JJ Annotated Anodyne COc1cc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC ZINC000096284159 JJ Annotated Anodyne COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3c2c(=O)oc2ccccc32)cc1OC ZINC000096284160 JJ Annotated Anodyne COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3c2c(=O)oc2ccccc32)cc1OC ZINC000096284161 JJ Annotated Anodyne CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000096285573 JJ Annotated Bother CCn1c(C(=O)N[C@@H](C)C(=O)O)ccc1C(CC)(CC)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000096285602 JJ Annotated Anodyne CCn1c(C(=O)N[C@@H](C)C(=O)O)ccc1C(CC)(CC)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000096285603 JJ Annotated Anodyne CCn1c(C(=O)N[C@@H](C)CO)ccc1C(CC)(CC)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000096285614 JJ Annotated Anodyne CCn1c(C(=O)N[C@@H](C)CO)ccc1C(CC)(CC)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000096285615 JJ Annotated Anodyne CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCC(=O)OC)n1C ZINC000096285625 JJ Annotated Anodyne COc1cccc([C@H]2O[C@H](CC(=O)O)c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1C ZINC000096285781 JJ Annotated Anodyne COc1cccc([C@H]2O[C@H](CC(=O)O)c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1OC ZINC000096285784 JJ Annotated Anodyne Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCN(c2ccc4cc(F)ccc4n2)CC1)O3 ZINC000096307642 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096335909 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 ZINC000096335910 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096335911 JJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1)OCO2 ZINC000096335912 JJ Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)c1nc(N)c(C#N)c(N)c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000096336128 JJ Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)c1nc(N)c(C#N)c(N)c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000096336129 JJ Annotated Mild CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000096888332 JJ Annotated Anodyne C[C@@H]1C[C@]2(OC[C@](C)(O)[C@H]2O)O[C@H]2C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@H]21 ZINC000096902568 JJ Annotated Anodyne CC1(C)CC[C@]23CO[C@@]4(C=C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@@H]4C[C@@H]2O)[C@@H]3C1 ZINC000096903030 JJ Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]3C(C)C)[C@](C)(OC(=O)CCC)CC[C@@H]1O ZINC000096903208 JJ Annotated Mild COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)C(C)C)[C@H](C)[C@H](C)C2 ZINC000096903226 JJ Annotated Anodyne C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C ZINC000096903367 JJ Annotated Reactive Cc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(O)cc31)c1cccc(O)c1C2=O ZINC000096903804 JJ Annotated Anodyne in-man O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000096905426 JJ Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000096905601 JJ Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000096905603 JJ Annotated Anodyne CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)N(C1=CCCC1=O)CC(C)(C)S2 ZINC000096906087 JJ Annotated Mild COCCCn1c(=O)nc(-c2ccc(N3CCN(C4CC4)CC3)cc2)c2oc3ccc(Cl)cc3c21 ZINC000096906335 JJ Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1 ZINC000096906800 JJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)F)ccc3n2C2CCC2)nc1 ZINC000096907014 JJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)(F)F)ccc3n2C2CCC2)nc1 ZINC000096907015 JJ Annotated Mild CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1 ZINC000096907019 JJ Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C1CC1 ZINC000096907020 JJ Annotated Mild CC(C)(CF)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1 ZINC000096907023 JJ Annotated Mild N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(C3CC3)ccc12 ZINC000096907034 JJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2C2CCC2)nc1 ZINC000096907046 JJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)nc1 ZINC000096907049 JJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1 ZINC000096907051 JJ Annotated Mild COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)Cn1ccnc1)c1ccccc1-2 ZINC000096907764 JJ Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)Cn1ccnc1)c1ccccc1-2 ZINC000096907765 JJ Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)Cn1ccnc1)c1ccccc1-2 ZINC000096907766 JJ Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)Cn1ccnc1)c1ccccc1-2 ZINC000096907767 JJ Annotated Anodyne O=C1c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000096907774 JJ Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCCO)CC[C@]21C ZINC000096908084 JJ Annotated Anodyne C/C=C(\C)C(=O)C1=C2C3=CN(CCCC(=O)O)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O ZINC000096909110 JJ Annotated Mild CCCCCOC(=O)CN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O ZINC000096909329 JJ Annotated Anodyne Oc1nc(CN2CCN(Cc3ccccc3)CC2)nc2cc(-c3c[nH]c4ccccc34)sc12 ZINC000096909538 JJ Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC000096909593 JJ Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000096909594 JJ Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2O)cc1 ZINC000096909595 JJ Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(O)c2)cc1 ZINC000096909600 JJ Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)c1 ZINC000096909838 JJ Annotated Anodyne N#Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)c1 ZINC000096909839 JJ Annotated Mild Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2cc(C(F)(F)F)ccn2)c1 ZINC000096909844 JJ Annotated Anodyne COc1ccc([C@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909894 JJ Annotated Anodyne COc1ccc([C@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909895 JJ Annotated Anodyne COc1ccc([C@@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909896 JJ Annotated Anodyne COc1ccc([C@@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909897 JJ Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(F)cc1 ZINC000096909902 JJ Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(F)cc1 ZINC000096909903 JJ Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(F)cc1 ZINC000096909904 JJ Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(F)cc1 ZINC000096909905 JJ Annotated Anodyne C/C(=N/NC(=O)COc1c(Br)cc(Br)c2cccnc12)c1ccccc1 ZINC000096910072 JJ Annotated Reactive O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccc(Cl)cc1 ZINC000096910083 JJ Annotated Reactive CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccc(O)cc2)cc1 ZINC000096910120 JJ Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](COC(C)=O)C[C@@H]21 ZINC000096910164 JJ Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(C)=O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](CO)C[C@@H]21 ZINC000096910165 JJ Annotated Anodyne Nc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3cc(Br)cc(Br)c3)c12 ZINC000096910454 JJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCn3nc(C4CCC(CNC(=O)c5ccco5)CC4)cc32)cc1 ZINC000096910681 JJ Annotated Anodyne Cc1cc(C)c2c(=O)n(CN(Cc3ccccc3)Cn3sc4nc(C)cc(C)c4c3=O)sc2n1 ZINC000096910903 JJ Annotated Anodyne Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc(OCCC3CCNCC3)n2)c(C)c1 ZINC000096911483 JJ Annotated Mild CC1(C)C[C@H](O)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000096913224 JJ Annotated Anodyne CC1(C)C[C@H](O)[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CCC(=O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000096913226 JJ Annotated Anodyne CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2ccc3ncccc3c2)cc(Cl)c1O ZINC000096913576 JJ Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2nccc3ccccc23)cc(Cl)c1O ZINC000096913608 JJ Annotated Mild CCc1nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1N(C)C(=O)C1CCCCC1 ZINC000096913731 JJ Annotated Anodyne CC[C@@H](COc1ccc2oc3ccccc3c2c1)NCCC(=O)N(CC(N)=O)Cc1ccc(C)cc1 ZINC000096913758 JJ Annotated Anodyne CC[C@H](COc1ccc2oc3ccccc3c2c1)NCCC(=O)N(CC(N)=O)Cc1ccc(C)cc1 ZINC000096913759 JJ Annotated Anodyne Cc1ccnc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000096914483 JJ Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000096914533 JJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(C)=O)C[C@H]12)[C@@H](OCC)O[C@@H]3OC(C)=O ZINC000096914648 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=CC(=O)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000096914652 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)CC[C@]23[C@H](C[C@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000096914957 JJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@H](OC(C)=O)C[C@H]12)[C@@H](OCC)O[C@@H]3OC(C)=O ZINC000096914963 JJ Annotated Mild COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)c2ccc(C)cc2)c1 ZINC000096915032 JJ Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)c2ccc(F)cc2)c1 ZINC000096915036 JJ Annotated Anodyne Cc1ccc(-c2ncccc2C)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ncc(C(F)(F)F)cn2)n1 ZINC000096917230 JJ Annotated Anodyne CN1CCN(C23C[C@@H](NCCCN4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921614 JJ Annotated Anodyne CN1CCN(C23CCN(CCCN4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921621 JJ Annotated Anodyne Cc1ccc2oc(=O)c(/C=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c(Cl)c2c1 ZINC000096921663 JJ Annotated Mild Cc1ccc2oc(=O)c(/C=N/c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c(Cl)c2c1 ZINC000096921665 JJ Annotated Mild O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921741 JJ Annotated Anodyne O=C(c1ccc(F)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921744 JJ Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccccc3)c(OC)c2)cc1OC ZINC000096922287 JJ Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)CC(C)(C)C)c(OC)c2)cc1OC ZINC000096922538 JJ Annotated Anodyne ICCCCN1C=S(CI)c2ccccc21 ZINC000096922541 JJ Annotated Reactive Cc1ccc(-c2nc3c(C)cccn3c2/C=N/OCc2cn(Cc3ccc(C#N)cc3)nn2)cc1 ZINC000096922589 JJ Annotated Mild COc1ccc(Cn2cc(CO/N=C/c3c(-c4ccccc4)nc4c(C)cccn34)nn2)cc1 ZINC000096922594 JJ Annotated Mild O=C(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000096922661 JJ Annotated Bother O=C(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000096922662 JJ Annotated Bother O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1CCc1ccccc1)NC1CCCCC1 ZINC000096922819 JJ Annotated Anodyne CN(C(=O)CSc1nc2c3ccccc3n(C)c2c(=O)n1-c1ccccc1)C1CCCCC1 ZINC000096922822 JJ Annotated Anodyne Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(F)cc4)nc4c(C)cccn34)nn2)cc1 ZINC000096922863 JJ Annotated Mild COc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(F)cc4)nc4c(C)cccn34)nn2)cc1 ZINC000096922864 JJ Annotated Mild Cc1cccn2c(/C=N/OCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)c(-c3ccc(F)cc3)nc12 ZINC000096922865 JJ Annotated Mild Cc1cccn2c(/C=N/OCc3cn(Cc4ccc(C#N)cc4)nn3)c(-c3ccc(F)cc3)nc12 ZINC000096922866 JJ Annotated Mild COc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(C)cc4)nc4c(C)cccn34)nn2)cc1 ZINC000096922868 JJ Annotated Mild Cc1ccc(-c2nc3c(C)cccn3c2/C=N/OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000096922869 JJ Annotated Mild COc1cc2c(cc1Oc1ncccc1C(F)(F)F)c(=O)ncn2Cc1ccc(F)cc1F ZINC000096923023 JJ Annotated Anodyne CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC ZINC000096923780 JJ Annotated Anodyne COc1cc(-c2nnc(SC/C(=N/O)c3ccccc3)n2-c2ccccc2)cc(OC)c1OC ZINC000096924045 JJ Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(OC(C)(C)C(=O)OCC)cc3)cc(C)c2oc1=O ZINC000096924052 JJ Annotated Mild CCOC(=O)CCCOc1ccc(C(=O)/C=C/c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924055 JJ Annotated Mild CCOC(=O)COc1ccc(C(=O)/C=C/c2cc(C(C)C)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924071 JJ Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@@H](C)C(=O)OCC)cc3)cc(C)c2oc1=O ZINC000096924075 JJ Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@H](C)C(=O)OCC)cc3)cc(C)c2oc1=O ZINC000096924076 JJ Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@@H](CC)C(=O)OCC)cc3)cc(C)c2oc1=O ZINC000096924081 JJ Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@H](CC)C(=O)OCC)cc3)cc(C)c2oc1=O ZINC000096924082 JJ Annotated Mild CN(C)c1cc2c(cc1Oc1ncccc1C(F)(F)F)c(=O)ncn2Cc1ccc(F)cc1F ZINC000096927616 JJ Annotated Anodyne COCCNc1nc(C#N)nc(N(Cc2cccc(C(F)(F)F)c2)C2C3CC4CC(C3)CC2C4)n1 ZINC000096928160 JJ Annotated Mild CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@@H](Br)[C@@H]2C1=O)[C@](C)(Br)C3=O ZINC000096928270 JJ Annotated Reactive CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(C)c(C)c2)c1C(=O)OCC ZINC000096928590 JJ Annotated Anodyne CCOC(=O)c1c(-c2cc3ccc(OC)cc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC ZINC000096928603 JJ Annotated Anodyne CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC ZINC000096928613 JJ Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4Br)s3)nc2n1 ZINC000096928618 JJ Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cccc(Br)c4)s3)nc2n1 ZINC000096928619 JJ Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(Br)cc4)s3)nc2n1 ZINC000096928620 JJ Annotated Anodyne Cc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096928670 JJ Annotated Clean COc1cc(-c2nc3sc4c(c3c(=O)n2-c2ccc(C(=O)O)cc2)CCCC4)cc(OC)c1OC ZINC000096928923 JJ Annotated Anodyne COc1cc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000096929034 JJ Annotated Anodyne CN1C(=O)[C@@]2(CCc3cc(N)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929185 JJ Annotated Anodyne CN1C(=O)[C@]2(CCc3cc(N)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929186 JJ Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929189 JJ Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929190 JJ Annotated Anodyne CCN1C(=O)[C@@]2(C[C@H](O)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929191 JJ Annotated Anodyne CCN1C(=O)[C@]2(C[C@H](O)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929192 JJ Annotated Anodyne CCN1C(=O)[C@@]2(C[C@@H](O)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929193 JJ Annotated Anodyne CCN1C(=O)[C@]2(C[C@@H](O)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929194 JJ Annotated Anodyne CCN1C(=O)[C@@]2(C[C@H](N)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929195 JJ Annotated Anodyne CCN1C(=O)[C@]2(C[C@H](N)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929196 JJ Annotated Anodyne CCN1C(=O)[C@@]2(C[C@@H](N)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929197 JJ Annotated Anodyne CCN1C(=O)[C@]2(C[C@@H](N)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929198 JJ Annotated Anodyne COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(F)c[nH]c2=O)cc1C1(Cl)CC1 ZINC000096929689 JJ Annotated Anodyne COc1c(CCc2cccc(NS(C)(=O)=O)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000096929958 JJ Annotated Anodyne CCOC(=O)C(C(=O)c1ccc(Cl)nc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929985 JJ Annotated Unstable CCOC(=O)C(C(=O)c1ccccc1C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929989 JJ Annotated Unstable CC(C)OC(=O)C(C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929995 JJ Annotated Unstable COc1ccc([C@@H]2CC(=NOC(=O)c3cc(O)c(O)c(O)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931332 JJ Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3cc(O)c(O)c(O)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931334 JJ Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cc(O)c(O)c(O)c3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931336 JJ Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cc(O)cc(O)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931428 JJ Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3cc(O)cc(O)c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931430 JJ Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cc(O)cc(O)c3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931432 JJ Annotated Mild CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)cc2)n2c1Cc1ccccc1-2 ZINC000096932765 JJ Annotated Anodyne CC1=C(C(=O)NCCC(=O)N2CCCCC2)[C@H](c2ccccc2)N2C(=N1)Sc1ccccc12 ZINC000096932868 JJ Annotated Anodyne CC1=C(C(=O)NCCC(=O)N2CCCCC2)[C@@H](c2ccccc2)N2C(=N1)Sc1ccccc12 ZINC000096932869 JJ Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCOCC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933323 JJ Annotated Anodyne COCCNCc1c(-c2nnc(SC(C)C)n2-c2ccccc2)n(C)c2ccc(F)cc12 ZINC000096933343 JJ Annotated Anodyne CCOC(=O)n1c(=O)n(C2CCN([C@@H]3CCc4cc(OC)c(OC)cc43)CC2)c2ccc(Cl)cc21 ZINC000096933801 JJ Annotated Anodyne CCOC(=O)n1c(=O)n(C2CCN([C@H]3CCc4cc(OC)c(OC)cc43)CC2)c2ccc(Cl)cc21 ZINC000096933802 JJ Annotated Anodyne C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934097 JJ Annotated Reactive C[C@]12C=C3C(=O)OC(c4ccccc4)(c4ccccc4)C[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096934098 JJ Annotated Reactive COC(=O)c1ccc([C@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934103 JJ Annotated Reactive COC(=O)c1ccc([C@@H]2O[C@]34CC(c5ccccc5)(c5ccccc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934104 JJ Annotated Reactive CC(C)c1cc(=O)n2c3ccccc3n(Cc3cc(=O)oc4ccc(Br)cc34)c2n1 ZINC000096934501 JJ Annotated Anodyne CCCCc1ccc(-c2cn([C@@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934556 JJ Annotated Mild CCCCc1ccc(-c2cn([C@H]3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934557 JJ Annotated Mild C/C(O)=N/S(=O)(=O)c1ccc(NC(=S)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 ZINC000096934988 JJ Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)n1 ZINC000096935008 JJ Annotated Anodyne COc1ccc(-c2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000096935216 JJ Annotated Mild COc1ccc(-c2nnc(N/N=C/c3ccc(OC)c(OC)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000096935217 JJ Annotated Mild COc1ccc(-c2nnc(N/N=C/c3cccc(OC)c3OC)nc2-c2ccc(OC)cc2)cc1 ZINC000096935226 JJ Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1F ZINC000096935519 JJ Annotated Anodyne CC(C)(C)c1ccc(OCCN2CCOCC2)c([C@@]2(c3ccccc3)C(=O)Nc3ccccc32)c1 ZINC000096937522 JJ Annotated Anodyne CC(C)(C)c1ccc(OCCN2CCOCC2)c([C@]2(c3ccccc3)C(=O)Nc3ccccc32)c1 ZINC000096937523 JJ Annotated Anodyne CC(C)(C)c1ccc(OCCN2CCNCC2)c([C@@]2(c3ccccc3)C(=O)Nc3ccccc32)c1 ZINC000096937526 JJ Annotated Anodyne CC(C)(C)c1ccc(OCCN2CCNCC2)c([C@]2(c3ccccc3)C(=O)Nc3ccccc32)c1 ZINC000096937527 JJ Annotated Anodyne CC(C)[C@@H]1[C@@H](OC(=O)c2ccc(F)cc2C(F)(F)F)C(=O)C=CN1C(=O)Oc1ccccc1 ZINC000096938180 JJ Annotated Mild CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc([N+](=O)[O-])cc1)S2 ZINC000096938412 JJ Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3Cl)c3ccccc23)cc1 ZINC000096938517 JJ Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3cc(C)ccc3C)c3ccccc23)cc1 ZINC000096938668 JJ Annotated Mild O=C1N(Cc2ccc(Cl)cc2Cl)c2cccn2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000096938775 JJ Annotated Anodyne O=C1N(Cc2ccccc2Cl)c2cccn2S(=O)(=O)N1Cc1cccc(Br)c1 ZINC000096938779 JJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(NCc3ccc(N)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096938918 JJ Annotated Clean COCCN1CCC(CNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)CC1 ZINC000096938988 JJ Annotated Anodyne O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12 ZINC000096939373 JJ Annotated Bother O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000096939376 JJ Annotated Bother O=C(NCC1CCCCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939882 JJ Annotated Bother COc1ncccc1-c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000096940050 JJ Annotated Anodyne O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1 ZINC000096940061 JJ Annotated Anodyne in-vitro CC(C)COC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000096940065 JJ Annotated Anodyne CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OS(C)(=O)=O)c3c2OC(C)(C)C=C3)cc1 ZINC000096940420 JJ Annotated Mild CCC(=O)CCCCC[C@H](NC(=O)CCN(C)C)c1ncc(-c2cc(OC)c3ccccc3n2)[nH]1 ZINC000096941671 JJ Annotated Anodyne Cc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4[nH]c(-c5cn(C)nc5C)nc34)cc2)on1 ZINC000098052879 JJ Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nc(OC)c4c(-c5ccccc5)csc4n3)nc2c1 ZINC000098082009 JJ Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc(OC)c4c(-c5ccccc5)csc4n3)nc2c1 ZINC000098082010 JJ Annotated Anodyne O=c1c2ccccc2nc(-c2sc(N3CCNCC3)nc2-c2ccccc2)n1-c1ccccc1 ZINC000098082096 JJ Annotated Anodyne CN1CCN(c2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3Nc3ccccc3)s2)CC1 ZINC000098082097 JJ Annotated Anodyne O=C(NN=C(c1ccccc1)c1ccccc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O ZINC000098082329 JJ Annotated Reactive Nc1ccc(C2(c3ccc(N)c(Br)c3)C(=O)c3ccccc3C2=O)cc1Br ZINC000098082477 JJ Annotated Clean C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000098082723 JJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 ZINC000098082724 JJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(OC)ccc21 ZINC000098082725 JJ Annotated Mild Cc1sc(N)nc1-c1ccc(CCN2CCN(c3nc4ccccc4nc3Cl)CC2)cc1 ZINC000098082833 JJ Annotated Clean COc1ccc(-n2n[o+]c(O)c2-c2nn3cc(-c4cc5cc(Cl)ccc5oc4=O)nc3s2)cc1 ZINC000098082971 JJ Annotated Anodyne N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098083738 JJ Annotated Reactive N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098083739 JJ Annotated Reactive CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccccc3)n2/N=C/c2c(F)cccc2F)n1 ZINC000098084000 JJ Annotated Mild O=C1C(=O)N(CCSC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21 ZINC000098084203 JJ Annotated Anodyne N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000098084538 JJ Annotated Bother COc1cc(C2(Nc3cc(Cl)ccc3OC)C(=O)c3ccccc3C2=O)c(Cl)cc1N ZINC000098084687 JJ Annotated Clean COc1nc2ccccc2nc1N1CCN(CCc2ccc(-c3nc(C)sc3C)cc2)CC1 ZINC000098085134 JJ Annotated Anodyne O=c1c2ccccc2nc(SCc2nnc(S)n2-c2ccccc2)n1CCc1ccccc1 ZINC000098085148 JJ Annotated Anodyne O=c1oc2ccc(Cl)cc2cc1-c1cn2nc(-c3c(O)[o+]nn3-c3ccccc3)sc2n1 ZINC000098085235 JJ Annotated Anodyne Cc1ccc(-n2n[o+]c(O)c2-c2nn3cc(-c4cc5cc(Cl)ccc5oc4=O)nc3s2)cc1 ZINC000098085238 JJ Annotated Anodyne O=c1c2ccccc2nc(SCc2nnc(S)n2Cc2ccccc2)n1CCc1ccccc1 ZINC000098085438 JJ Annotated Anodyne S=c1n(CN2CCOCC2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000098085693 JJ Annotated Anodyne O=S(=O)(F)c1ccc(Br)c(-c2nnc(-c3cc(Cl)c(O)c(Cl)c3)o2)c1 ZINC000098207873 JJ Annotated Unstable Cc1c(-c2c([C@H](OC(C)(C)C)C(=O)O)n(C)c(=O)c3ccccc23)cc(F)c2c1CCCO2 ZINC000098208262 JJ Annotated Anodyne CC(C)CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)s1)S(=O)(=O)Cc1ccccc1 ZINC000098208412 JJ Annotated Anodyne