O=C(O)c1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 ZINC000001009756 FI Annotated Clean COc1cc(CN2c3ccccc3N3CCCCC[C@@H]32)cc(OC)c1OC ZINC000001045687 FI Annotated Anodyne Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2cccs2)n[nH]1 ZINC000001046803 FI Annotated Anodyne CC(=O)O[C@H](COc1cccc2ccccc12)Cn1cnc2ccccc21 ZINC000001129427 FI Annotated Anodyne CC(=O)O[C@@H](COc1cccc2ccccc12)Cn1cnc2ccccc21 ZINC000001129430 FI Annotated Anodyne c1coc(CN(Cc2cccs2)Cc2nnnn2C2CCCCC2)c1 ZINC000001338601 FI Annotated Anodyne Cc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccco3)c2c1C ZINC000001377393 FI Annotated Anodyne Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1 ZINC000001487090 FI Annotated Anodyne OCc1cc(Br)c(-c2ccc(O)cc2)c(Br)c1 ZINC000001487154 FI Annotated Anodyne CCc1ccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)cc1 ZINC000001491121 FI Annotated Anodyne CCn1c(=O)c(CCC(=O)O)c(-c2cccc(Cl)c2)c2ccc(C)nc21 ZINC000001494052 FI Annotated Anodyne in-vivo CCOC(=O)C(/C=N/c1cccc(-c2cc(C)nc(C)c2)c1)=C(\O)OCC ZINC000100015463 FI Annotated Mild O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cc(Cl)ccc12 ZINC000100018507 FI Annotated Anodyne Oc1nc2c(O)c3ccc(-c4ccncc4)cc3n(-c3ccc(F)cc3)c-2n1 ZINC000100018820 FI Annotated Anodyne Cc1ccc(NC(=O)c2ccccc2Cn2ccc3ncnc-3c2)c(F)c1 ZINC000100062274 FI Annotated Anodyne CCCC[C@]12C[C@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 ZINC000100064269 FI Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 ZINC000100064273 FI Annotated Anodyne CCCC[C@]12C[C@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 ZINC000100064348 FI Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 ZINC000100064352 FI Annotated Anodyne CC(C)C[C@@H]1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 ZINC000100075862 FI Annotated Anodyne CC(C)C[C@H]1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1 ZINC000100075867 FI Annotated Anodyne COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1CCC[C@](C)(O4)O1 ZINC000100088380 FI Annotated Bother in-vitro COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCC[C@@](C)(O4)O1 ZINC000100088382 FI Annotated Bother in-vitro C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2nccs2)cc1)\c1ccccc1 ZINC000100092210 FI Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)cc1 ZINC000100093658 FI Annotated Anodyne Fc1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)c1 ZINC000100093668 FI Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(Cl)c2)cc1 ZINC000100093674 FI Annotated Anodyne COc1cccc(-c2ccc(O)c(CNC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)c2)n1 ZINC000100097349 FI Annotated Clean COc1cccc(-c2ccc(O)c(CNC[C@H]3C[C@@H]4C=C[C@@H]3C43CC3)c2)n1 ZINC000100097353 FI Annotated Clean Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCC4)C[C@@H]2N3)cc1 ZINC000100099990 FI Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CCCC4)C[C@@H]2N3)cc1 ZINC000100100057 FI Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(Cl)c2)cc1 ZINC000100101516 FI Annotated Anodyne Fc1ccccc1CN1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101534 FI Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2cc(-c3ccccc3)on2)cc1 ZINC000100106173 FI Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cc(-c3ccccc3)on2)cc1 ZINC000100106363 FI Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100106546 FI Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100106550 FI Annotated Anodyne C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)C[C@@H]2N3)cc1)\c1ccccc1 ZINC000100106570 FI Annotated Anodyne C(=C/c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)C[C@@H]2N3)cc1)\c1ccccc1 ZINC000100106572 FI Annotated Anodyne C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccccn4)C[C@@H]2N3)cc1)\c1ccccc1 ZINC000100106712 FI Annotated Anodyne C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccccn2)cc1)\c1ccccc1 ZINC000100106791 FI Annotated Anodyne C(=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccccn2)cc1)\c1ccccc1 ZINC000100106792 FI Annotated Anodyne Fc1ccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000100107571 FI Annotated Anodyne Fc1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000100107572 FI Annotated Anodyne Fc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4ccccc4)C[C@@H]2N3)cc1 ZINC000100107656 FI Annotated Anodyne Fc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)C[C@@H]2N3)cc1 ZINC000100107659 FI Annotated Anodyne C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3CC2CCOCC2)cc1)\c1ccccc1 ZINC000100107725 FI Annotated Anodyne C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4nccs4)C[C@@H]2N3)cc1)\c1ccccc1 ZINC000100108449 FI Annotated Anodyne C(=C/c1ccc([C@H]2[C@H]3CN(Cc4nccs4)C[C@@H]2N3)cc1)\c1ccccc1 ZINC000100108452 FI Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2Cl)cc1 ZINC000100109132 FI Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2Cl)cc1 ZINC000100109136 FI Annotated Anodyne C(=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2nccs2)cc1)\c1ccccc1 ZINC000100114116 FI Annotated Anodyne CC(C)=CCC1=C(O)[C@@](O)(CC=C(C)C)C(O)=C(C(=O)CC(C)C)C1=O ZINC000100151008 FI Annotated Mild in-man endogenous CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(C)cc1 ZINC000100249928 FI Annotated Clean CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(OC)cc1 ZINC000100249962 FI Annotated Clean C=C1CC[C@H](C)[C@](C)(CCC2=C[C@H](OC)OC2=O)C/C=C\C=C\1C(=O)O ZINC000100268080 FI Annotated Mild C=C1CC[C@H](C)[C@@](C)(CCC2=C[C@H](OC)OC2=O)C/C=C\C=C\1C(=O)O ZINC000100268085 FI Annotated Mild COC(=O)c1ccccc1/N=C/CC(=O)c1ccc(Br)cc1 ZINC000100297852 FI Annotated Mild COc1cc(OC)c2c(c1)C(=O)C1=C(OC(C)(C)[C@@H]3CCC(C)=C[C@@H]13)C2=O ZINC000100304449 FI Annotated Mild in-vitro COc1cc(OC)c2c(c1)C(=O)C1=C(OC(C)(C)[C@@H]3CCC(C)=C[C@H]13)C2=O ZINC000100304452 FI Annotated Mild in-vitro O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391876 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391880 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391882 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391885 FI Annotated Anodyne O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)C=NN1c1cccc(Cl)n1 ZINC000100408037 FI Annotated Clean COCC/N=C1\Sc2nc3c(C)cccc3cc2CN1Cc1ccco1 ZINC000100431320 FI Annotated Mild CCc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000100445249 FI Annotated Anodyne CCc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000100445260 FI Annotated Anodyne Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)[nH]n2c(=O)c1Cl ZINC000100454560 FI Annotated Anodyne CC1=C(c2ccccc2)C2=NC3=C(C(=O)CCC3)[C@H](c3ccccc3)N2N1 ZINC000100457427 FI Annotated Mild CC1=C(c2ccccc2)C2=NC3=C(C(=O)CCC3)[C@@H](c3ccccc3)N2N1 ZINC000100457430 FI Annotated Mild CN1/C(=C(\C#N)C(=O)COc2ccc3ccccc3c2)Nc2ccccc21 ZINC000100463783 FI Annotated Reactive O=C1C=CC(Cl)=C/C1=C\C(Cl)=C1\NC(=O)c2ccc(Cl)cc2N1 ZINC000100475241 FI Annotated Mild O=c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000100487496 FI Annotated Anodyne COc1ccc(NC2=NN/C(=C3/C(C)=Nc4ccccc43)CS2)cc1 ZINC000100491895 FI Annotated Anodyne C/C(NNc1nc(-c2ccccc2F)nc2ccccc12)=C1/C=CC=CC1=O ZINC000100492661 FI Annotated Mild Nc1sc(-c2ccccc2)cc1C(=O)N/N=C\c1ccc(Cl)cc1 ZINC000100493016 FI Annotated Reactive Cc1noc(C)c1CN(C(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 ZINC000100512503 FI Annotated Anodyne Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 ZINC000100512510 FI Annotated Anodyne COc1ccc(/C=N\c2c(-c3ccc(OC)cc3)nc3n2CCS3)cc1 ZINC000100518261 FI Annotated Mild CN1CCc2c(sc(N/C=C3\C=C(C(C)(C)C)C=CC3=O)c2C#N)C1 ZINC000100521825 FI Annotated Mild Cc1cc(Cl)cc(/C(=N/CCCC(N)=O)c2ccc(Cl)cc2)c1O ZINC000100523550 FI Annotated Mild in-man CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1 ZINC000100529288 FI Annotated Anodyne in-man CCC1=C/C(=C2/NNC(C)=C2Oc2ccc(C(C)C)cc2)C(=O)C=C1O ZINC000100537149 FI Annotated Mild CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(COc3ccccc3C3CCCC3)nn1)C2 ZINC000100597518 FI Annotated Anodyne COc1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100620714 FI Annotated Anodyne COc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100620718 FI Annotated Anodyne COc1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 ZINC000100620721 FI Annotated Anodyne COc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 ZINC000100620725 FI Annotated Anodyne COc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100620743 FI Annotated Anodyne COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100620746 FI Annotated Anodyne COc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 ZINC000100620750 FI Annotated Anodyne COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 ZINC000100620755 FI Annotated Anodyne COc1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620795 FI Annotated Anodyne COc1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620801 FI Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620805 FI Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620808 FI Annotated Anodyne N#Cc1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620869 FI Annotated Mild N#Cc1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620872 FI Annotated Mild N#Cc1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100620981 FI Annotated Mild N#Cc1cccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100620985 FI Annotated Mild N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 ZINC000100621002 FI Annotated Mild N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CC2 ZINC000100621008 FI Annotated Mild N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100621011 FI Annotated Mild N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CC2 ZINC000100621014 FI Annotated Mild Cc1cc(C(=O)N2CCC[C@@H]3c4cc(C#N)ccc4C[C@@H]32)cc2c1CC=N2 ZINC000100621246 FI Annotated Mild Cc1cc2c(cc1C(=O)N1CCC[C@@H]3c4cc(C#N)ccc4C[C@@H]31)N=CC2 ZINC000100621250 FI Annotated Mild CC(C)(O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621265 FI Annotated Anodyne CC#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621279 FI Annotated Mild Cc1nc2cc3c(cc2o1)[C@H]1CCCN(C(=O)c2ccc4c(c2)N=CC4)[C@H]1C3 ZINC000100621321 FI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc4ocnc4cc3C[C@@H]21 ZINC000100621324 FI Annotated Anodyne COc1cc2c(cc1C)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100621329 FI Annotated Anodyne Cc1cc2c(cc1C#N)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621337 FI Annotated Mild Cc1c(C#N)ccc2c1[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621342 FI Annotated Mild Cc1cc2c(cc1C#N)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1C2 ZINC000100621345 FI Annotated Mild Cc1c(C#N)ccc2c1[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1C2 ZINC000100621350 FI Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000100639911 FI Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000100639913 FI Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000100639914 FI Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000100639916 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccccc3)C2=C(O)C1 ZINC000100640709 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccccc3)C2=C(O)C1 ZINC000100640710 FI Annotated Anodyne Cn1c(SCC(=O)/N=N/c2c(O)[nH]c3ccccc23)nc2ccccc21 ZINC000100645060 FI Annotated Clean CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100656426 FI Annotated Anodyne CC(=O)OC[C@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100656429 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100656431 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 ZINC000100658513 FI Annotated Anodyne CCC(C)(C)Nc1c(NCc2c(C)cc(Cl)cc2Cl)c(=O)c1=O ZINC000100659212 FI Annotated Anodyne CCOC(=O)C(=O)/C=C\C(Sc1ccccc1)=C(/O)c1ccccc1 ZINC000100661435 FI Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccccc12)c1[nH]nc2c1CCc1ccccc1-2 ZINC000100703055 FI Annotated Clean C=CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 ZINC000100703442 FI Annotated Mild C=CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 ZINC000100703445 FI Annotated Mild C=CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccncc1 ZINC000100703490 FI Annotated Mild C=CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccncc1 ZINC000100703492 FI Annotated Mild CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 ZINC000100703569 FI Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 ZINC000100703574 FI Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccncc1 ZINC000100703632 FI Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccncc1 ZINC000100703634 FI Annotated Anodyne CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000100703803 FI Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000100703807 FI Annotated Mild C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cccc(OC)c1 ZINC000100703823 FI Annotated Mild C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cccc(OC)c1 ZINC000100703825 FI Annotated Mild CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1 ZINC000100704179 FI Annotated Anodyne CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1 ZINC000100704180 FI Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc1 ZINC000100704650 FI Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc1 ZINC000100704654 FI Annotated Anodyne CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@H]2c1cccs1 ZINC000100704716 FI Annotated Anodyne aggregator CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@@H]2c1cccs1 ZINC000100704717 FI Annotated Anodyne aggregator CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 ZINC000100705068 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 ZINC000100705071 FI Annotated Anodyne CCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 ZINC000100705715 FI Annotated Anodyne CCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000100706041 FI Annotated Bother CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(Cl)c3)[C@H]1C2 ZINC000100713451 FI Annotated Mild CCOC1(OCC)[C@H]2c3cc(Cl)ccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000100714917 FI Annotated Anodyne CCOC1(OCC)[C@@H]2c3cc(Cl)ccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000100714929 FI Annotated Anodyne Oc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100721961 FI Annotated Anodyne Oc1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100721971 FI Annotated Anodyne Oc1cccc2[n+]1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 ZINC000100721973 FI Annotated Anodyne Oc1cccc2[n+]1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 ZINC000100721978 FI Annotated Anodyne Oc1cccc2[n+]1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 ZINC000100721981 FI Annotated Anodyne Oc1cccc2[n+]1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 ZINC000100721984 FI Annotated Anodyne Oc1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100721997 FI Annotated Anodyne Oc1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722005 FI Annotated Anodyne Oc1ccc2[n+](c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 ZINC000100722014 FI Annotated Anodyne Oc1ccc2[n+](c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 ZINC000100722019 FI Annotated Anodyne OCc1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722037 FI Annotated Anodyne OCc1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722048 FI Annotated Anodyne c1cc[n+]2c(c1)[C@@H]1c3c(ccc4c3OC4)[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722061 FI Annotated Anodyne c1cc[n+]2c(c1)[C@H]1c3c(ccc4c3OC4)[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722066 FI Annotated Anodyne Oc1ccc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722113 FI Annotated Anodyne Oc1ccc[n+]2c1[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722123 FI Annotated Anodyne Oc1ccc2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 ZINC000100722127 FI Annotated Anodyne Oc1ccc2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 ZINC000100722135 FI Annotated Anodyne N#C[C@@]12CC(c3ccoc3)(c3ccoc3)[C@H](c3ccccc31)c1cccc[n+]12 ZINC000100722157 FI Annotated Mild N#C[C@]12CC(c3ccoc3)(c3ccoc3)[C@@H](c3ccccc31)c1cccc[n+]12 ZINC000100722164 FI Annotated Mild CNC1=C(/C=[N+]2\CCc3ccccc32)CC/C1=C/N1CCc2ccccc21 ZINC000100724559 FI Annotated Clean O=S(=O)(Cl)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2 ZINC000100725258 FI Annotated Unstable c1ccc(C2(c3ccccn3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)nc1 ZINC000100729032 FI Annotated Anodyne c1ccc(C2(c3ccccn3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)nc1 ZINC000100729043 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3nccs3)(c3nccs3)[C@@H]2c2cccc[n+]21 ZINC000100729047 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1nccs1)c1nccs1 ZINC000100729056 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cncs3)(c3cncs3)[C@@H]2c2cccc[n+]21 ZINC000100729151 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cncs1)c1cncs1 ZINC000100729156 FI Annotated Anodyne c1cncc(C2(c3cccnc3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 ZINC000100729160 FI Annotated Anodyne c1cncc(C2(c3cccnc3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 ZINC000100729167 FI Annotated Anodyne CCCn1c(=O)c2nc(C34C[C@H]5CC3C[C@@H](C5)C4)[nH]c2n(CCC)c1=S ZINC000100748790 FI Annotated Anodyne CCCn1c(=O)c2nc(C34C[C@@H]5CC3C[C@H](C5)C4)[nH]c2n(CCC)c1=S ZINC000100748796 FI Annotated Anodyne CCCCNC1=C(F)C(=O)c2c(F)c(NCCCC)c(F)c(F)c2C1=O ZINC000100751997 FI Annotated Mild CC(/C=C/C(O)=C1\C(=O)[C@@H]2CCCN2C1=O)=C\c1ccc2ccccc2c1 ZINC000100756490 FI Annotated Mild CC(/C=C/C(O)=C1\C(=O)[C@H]2CCCN2C1=O)=C\c1ccc2ccccc2c1 ZINC000100756492 FI Annotated Mild CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1ccc(-c2ccccc2)cc1 ZINC000100756621 FI Annotated Mild CCCC1(CCC)C(=O)C(C(=O)C(C)C)=C(O)C(C(=O)C(C)C)=C1O ZINC000100768559 FI Annotated Mild C=C(C)[C@@H]1CC(=O)c2oc3c4c(cc(O)c3c(=O)c2C1)OC(C)(C)C=C4 ZINC000100773643 FI Annotated Mild in-man endogenous COc1cc([C@@H]2OC[C@@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O ZINC000100776483 FI Annotated Anodyne in-man endogenous COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O ZINC000100776487 FI Annotated Anodyne in-man endogenous COc1cc([C@H]2OC[C@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O ZINC000100776489 FI Annotated Anodyne in-man endogenous COC(=O)[C@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779934 FI Annotated Anodyne in-man endogenous COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779937 FI Annotated Anodyne in-man endogenous COC(=O)[C@H]1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779940 FI Annotated Anodyne in-man endogenous OC1=C2C(=Nc3ccnn3[C@@H]2c2ccc(Br)c(F)c2)CCC1 ZINC000100787772 FI Annotated Anodyne OC1=C2C(=Nc3ccnn3[C@H]2c2ccc(Br)c(F)c2)CCC1 ZINC000100787775 FI Annotated Anodyne CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O ZINC000100788034 FI Annotated Anodyne CCCN1N=C2/C(=C/c3ccccc3)C[S@@](=O)C[C@H]2[C@H]1c1ccccc1 ZINC000100788217 FI Annotated Anodyne CCCN1N=C2/C(=C/c3ccccc3)C[S@@](=O)C[C@H]2[C@@H]1c1ccccc1 ZINC000100788219 FI Annotated Anodyne OC1=C2C(=Nc3ccnn3[C@@H]2c2ccc(F)c(Br)c2)CCC1 ZINC000100789274 FI Annotated Anodyne OC1=C2C(=Nc3ccnn3[C@H]2c2ccc(F)c(Br)c2)CCC1 ZINC000100789276 FI Annotated Anodyne CCN(CC)CCn1nc2c3c(c(Cl)ccc31)S(=O)c1ccccc1-2 ZINC000100790956 FI Annotated Anodyne Cc1c[nH]c(NC[C@@H](C)CN(C)C)c2c3c(ccc4cc(O)ccc43)nc1-2 ZINC000100792017 FI Annotated Bother Cc1c[nH]c(NC[C@H](C)CN(C)C)c2c3c(ccc4cc(O)ccc43)nc1-2 ZINC000100792020 FI Annotated Bother COc1cccc([C@H]2CC3=Nc4ccc(F)cc4S(=O)(=O)C3=C(O)C2)c1 ZINC000100796320 FI Annotated Anodyne COc1cccc([C@@H]2CC3=Nc4ccc(F)cc4S(=O)(=O)C3=C(O)C2)c1 ZINC000100796322 FI Annotated Anodyne O=C1C(O)=C(O)O[C@@H]1CCC#Cc1ccccc1CSc1ccccc1 ZINC000100802120 FI Annotated Mild O=C1C(O)=C(O)O[C@H]1CCC#Cc1ccccc1CSc1ccccc1 ZINC000100802122 FI Annotated Mild C=C(C)[C@H]1CCC2=C[C@@H](C/C(C)=C/c3cc(C(=O)OC)c(o3)C1)OC2=O ZINC000100804957 FI Annotated Mild CCCCc1c(O)c2cc(Br)cnc2n(-c2ccccc2)c1=O ZINC000100819339 FI Annotated Anodyne CC1=C(C)C(=O)C([C@@H](CCCCCC(N)=O)c2ccccc2)=C(C)C1=O ZINC000100820540 FI Annotated Mild CC(C)Oc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1O ZINC000100826059 FI Annotated Bother COc1ccc2c(c1O)c(C1CC1)[n+](C)c1c3cc4c(cc3ccc21)OCO4 ZINC000100828508 FI Annotated Bother CS/C(=N\c1ccccc1)c1c(O)c2cc(SC)ccc2n(C)c1=O ZINC000100834077 FI Annotated Mild CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@@]13OO2 ZINC000100835474 FI Annotated Reactive COc1ccc(NC(=S)C2=C(O)C(C)(C)Oc3ccc(C#N)cc32)cc1 ZINC000100838021 FI Annotated Mild CC1(C)[C@H]2C[C@H]1CC[C@@H]2CN1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC000100859929 FI Annotated Anodyne CC1(C)[C@H]2C[C@H]1CC[C@H]2CN1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC000100859931 FI Annotated Anodyne COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 ZINC000100867585 FI Annotated Anodyne CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O ZINC000100886981 FI Annotated Clean C[C@H](CN1CC[C@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 ZINC000100899492 FI Annotated Anodyne CCCCCSCc1ccccc1C#CCC[C@H]1OC(O)=C(O)C1=O ZINC000100911706 FI Annotated Mild CCCCCSCc1ccccc1C#CCC[C@@H]1OC(O)=C(O)C1=O ZINC000100911708 FI Annotated Mild O=[N+]([O-])c1c(Cc2ccccc2)c[nH]c1NCCSCc1ccccn1 ZINC000100922527 FI Annotated Bother Cc1csc2c1-n1cccc1/C2=N/OCCN(C)Cc1ccccc1 ZINC000100923210 FI Annotated Mild COC1=CC[C@@H]2C(=C1)[C@@H]1c3cc(OC)ccc3C[C@@H]2N(CC2CC2)[C@@H]1C ZINC000100931819 FI Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4ccccc4s1)C3=CC2=O ZINC000100951466 FI Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4ccccc4s1)C3=CC2=O ZINC000100951468 FI Annotated Mild CC(C)=CCc1c(Cl)ccc2c(C3=C(O)C(O)=CC(=O)C3=O)c[nH]c12 ZINC000100956414 FI Annotated Mild CCc1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000100979066 FI Annotated Anodyne CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 ZINC000100979075 FI Annotated Anodyne Cc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000100980536 FI Annotated Anodyne Cc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000100980540 FI Annotated Anodyne CCCCc1nc2c(cc1-c1ccc(Cl)cc1)C(=O)[C@H](N)C(S)=N2 ZINC000101003472 FI Annotated Anodyne C/N=c1/c2ccccc2nc2n1CC/C2=C\c1ccccc1Br ZINC000101030291 FI Annotated Anodyne N=c1c2ccsc2nc2n1CC/C2=C\c1ccccc1Br ZINC000101030348 FI Annotated Anodyne CCOC(=O)[C@]12C[C@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O ZINC000101055636 FI Annotated Anodyne CCOC(=O)[C@@]12C[C@@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O ZINC000101055638 FI Annotated Anodyne CN(C)Cc1cc(OCC[18F])ccc1Sc1ccc(Cl)cc1N ZINC000101100520 FI Annotated Anodyne Cc1cc(=O)n2nc3c(C#N)c(C(F)(F)F)cc(-c4ccccc4)c3c2[nH]1 ZINC000101112930 FI Annotated Mild CC(=O)O[C@H]1/C=C(C(C)C)\C=C\[C@@](C)(O)CC/C=C(\C)CC[C@@H]2O[C@@]12C ZINC000101136617 FI Annotated Anodyne CC(C)=CC[C@]12OC(C)(C)[C@H]3C[C@@]4(Oc5ccccc5C(=O)C4=C[C@@H]31)C2=O ZINC000101143574 FI Annotated Mild CC(C)=CC[C@]12OC(C)(C)[C@@H]3C[C@@]4(Oc5ccccc5C(=O)C4=C[C@@H]31)C2=O ZINC000101143576 FI Annotated Mild CC(C)C[C@H]1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O ZINC000101164711 FI Annotated Anodyne CC(C)C[C@@H]1NC(=O)C(C(=O)Nc2ccc(C3CCCCC3)cc2)=C1O ZINC000101164714 FI Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](F)CC2)cc1)C(F)(F)F ZINC000101167430 FI Annotated Anodyne COc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cc1[N+](=O)[O-] ZINC000101199719 FI Annotated Clean CCCCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000101215783 FI Annotated Anodyne Cc1cc(N/C(=N/C2CCCCC2)N[C@@H]2NC=CS2)c2ccccc2n1 ZINC000101235689 FI Annotated Mild Cc1cc(N/C(=N/C2CCCCC2)N[C@H]2NC=CS2)c2ccccc2n1 ZINC000101235693 FI Annotated Mild CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1O ZINC000101239321 FI Annotated Anodyne CN1[C@@H]2CC[C@@H]1/C(=C\c1ccccc1F)C(=O)/C2=C/c1ccccc1F ZINC000101257963 FI Annotated Mild CCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101258676 FI Annotated Anodyne CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101258683 FI Annotated Anodyne Cc1cc(Cl)cc2c1N(C)C(=O)/C(=C(/S)N(C)c1ccccc1)C2=O ZINC000101258828 FI Annotated Mild CC1(c2[nH]c3ccccc3c2C2=C(O)C(O)=CC(=O)C2=O)CCCCC1 ZINC000101263501 FI Annotated Mild CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@]13OO2 ZINC000101271036 FI Annotated Reactive CC[C@@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@H](C(C)C)C1 ZINC000101282664 FI Annotated Anodyne CC[C@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@H](C(C)C)C1 ZINC000101282669 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3ccncc3)(c3ccncc3)[C@@H]2c2cccc[n+]21 ZINC000101284350 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccncc1)c1ccncc1 ZINC000101284353 FI Annotated Anodyne Cc1csc2c1-n1cccc1/C2=N/OCCCN(C)Cc1ccccc1 ZINC000101321036 FI Annotated Mild Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl ZINC000101336035 FI Annotated Bother CCCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000101344888 FI Annotated Anodyne C=C1C(C)(C)[C@@]23CC[C@@]1(C)C(=O)c1cccc(OCOC)c1[C@@H]2OC(=O)O3 ZINC000101353365 FI Annotated Mild N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](NCCCC(F)(F)F)CC1 ZINC000101403031 FI Annotated Anodyne O=c1cc(CCl)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 ZINC000101404859 FI Annotated Reactive COc1ccc(-c2ccc3c(c2)CCc2nn(-c4ccccn4)c(O)c2-3)cc1 ZINC000101463423 FI Annotated Anodyne CCn1c(O)c(/N=N/C(=O)c2cccnc2)c2cc(Br)ccc21 ZINC000101480085 FI Annotated Clean CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2c(C)cccc2C)s1 ZINC000101482989 FI Annotated Reactive Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2nncc-2c1O ZINC000101487570 FI Annotated Anodyne COc1cccc(/N=N/c2c(N)nn3c(O)cc(-c4ccccc4)nc23)c1 ZINC000101488521 FI Annotated Clean CCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101495868 FI Annotated Mild CCCOC[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 ZINC000101495873 FI Annotated Mild Cc1c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)oc2ccccc12 ZINC000101496318 FI Annotated Reactive CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000101501218 FI Annotated Reactive c1ccc(Cn2s/c(=N/Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC000101506349 FI Annotated Anodyne C/C(=N\Cc1ccco1)c1c(C)nn(-c2nc3ccccc3s2)c1O ZINC000101507501 FI Annotated Mild COc1cccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 ZINC000101511248 FI Annotated Anodyne COc1ccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)cc1 ZINC000101511255 FI Annotated Anodyne CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 ZINC000101541019 FI Annotated Anodyne O=c1c2ccccc2c(C(=S)Nc2cccc3ccccc23)c2n1CCN2 ZINC000101547875 FI Annotated Anodyne CC(C)n1c(O)c(/N=N/C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000101561432 FI Annotated Clean CC(C)n1c(O)c(/N=N/C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000101561436 FI Annotated Clean COC(=O)[C@H]1C(O)=C(/C=N/c2ccc3ccccc3c2)C(=O)CC1(C)C ZINC000101570339 FI Annotated Mild COC(=O)[C@@H]1C(O)=C(/C=N/c2ccc3ccccc3c2)C(=O)CC1(C)C ZINC000101570344 FI Annotated Mild COC(=O)[C@H]1C(O)=C(/C=N/c2cccc3ccccc23)C(=O)CC1(C)C ZINC000101570459 FI Annotated Mild COC(=O)[C@@H]1C(O)=C(/C=N/c2cccc3ccccc23)C(=O)CC1(C)C ZINC000101570463 FI Annotated Mild Cn1c(=O)[nH]c([C@@H]2CC[C@H](c3ccccc3)CC2)c(Cc2ccccc2)c1=O ZINC000101598364 FI Annotated Anodyne CC(=O)O[C@H]1C[C@H](C)[C@H]2C[C@H]2C2=C(COC2=O)[C@H]1[C@H](C)CCC=C(C)C ZINC000101626042 FI Annotated Anodyne C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)C)[C@@H](OC)O[C@H](OC)[C@@H]12 ZINC000101628036 FI Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@H](C)CC)=C3O ZINC000101631178 FI Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C3O ZINC000101631181 FI Annotated Mild CN(C)CCNc1c2c3ccccc3nc-2n(C)c2ccc(Cl)cc12 ZINC000101638786 FI Annotated Bother Cc1noc(C)c1COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000101641085 FI Annotated Anodyne NCCCCCCCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101643343 FI Annotated Mild COC(=O)c1c(C)[nH]c(O)c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000101648702 FI Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/c2ccc(O)cc2)=C1O ZINC000101652259 FI Annotated Mild C=C1CC[C@@H]2CCC3=C(C(=O)[C@H](C3=O)/C(C)=C/[C@@H](OC(C)=O)C1)C2(C)C ZINC000101655212 FI Annotated Mild O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccc(Br)cc1)(C3)C2)NO ZINC000101666116 FI Annotated Bother O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(Br)cc1)(C3)C2)NO ZINC000101666120 FI Annotated Bother CC(=O)O[C@@H]1C[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]21C[C@@]34C ZINC000101668685 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]21C[C@@]34C ZINC000101668689 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@@]21C[C@]43C ZINC000101668693 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@@]21C[C@]43C ZINC000101668697 FI Annotated Anodyne N#Cc1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3ccccc32)cc1 ZINC000101673106 FI Annotated Mild C[C@H](c1cccc2ccccc12)N1C(=O)CC(=O)N(C2CCCC2)C1=O ZINC000101678085 FI Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC(C)C)c(OC)c1 ZINC000101682121 FI Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC(C)C)c(OC)c1 ZINC000101682125 FI Annotated Reactive Cc1ccc(O[C@@H](C)C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000101685098 FI Annotated Clean Cc1ccc(O[C@H](C)C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000101685100 FI Annotated Clean CCOC(=O)C(/C=N/c1ccc(C(F)(F)F)cc1Cl)=C(/O)OCC ZINC000101685400 FI Annotated Mild COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)N=C1C ZINC000101690424 FI Annotated Clean CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@H]3O[C@@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 ZINC000101694808 FI Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 ZINC000101694814 FI Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC(=O)C1=C(O)[C@H](OC)OC1=O ZINC000101697552 FI Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC(=O)C1=C(O)[C@@H](OC)OC1=O ZINC000101697557 FI Annotated Mild Oc1c(/C=N/c2cccc(C(F)(F)F)c2)cnn1-c1cccc(Cl)n1 ZINC000101700337 FI Annotated Mild CCOC(=O)C1=C(Nc2ccc(S(F)(F)(F)(F)F)cc2)OCC1=O ZINC000101701008 FI Annotated Reactive C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)C1 ZINC000101706565 FI Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)C1 ZINC000101706568 FI Annotated Anodyne N[C@@H]1CC[C@@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 ZINC000101706764 FI Annotated Anodyne CCOc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccc(O)cc1 ZINC000101708788 FI Annotated Mild CCOC(=O)c1c(S[C@H]2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O ZINC000101710571 FI Annotated Anodyne Clc1cccc(CO/N=C2\c3ccccc3CC[C@@H]2Cn2cncn2)c1 ZINC000101716441 FI Annotated Mild Clc1cccc(CO/N=C2\c3ccccc3CC[C@H]2Cn2cncn2)c1 ZINC000101716444 FI Annotated Mild CCCC/C(=N\c1ccc(N)cc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000101720998 FI Annotated Mild CCCC/C(=N\c1ccc(N)cc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000101721004 FI Annotated Mild Cc1c(/N=C/C=C(\O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000101743531 FI Annotated Mild COC(=O)c1cc(/N=N/c2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 ZINC000101761024 FI Annotated Clean Cn1c(/C(C#N)=C(\O)c2ccc(Br)s2)nc2ccccc21 ZINC000101801336 FI Annotated Reactive C/C(=C\C#N)N/C(=N\O)c1ccnc(Oc2cc(C)ccc2C(C)C)c1 ZINC000101817596 FI Annotated Reactive CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/c2cccc(O)c2)=C1O ZINC000101823734 FI Annotated Mild COc1ccccc1Oc1ncccc1/C(=N/O)N1[C@@H](C)CCC[C@H]1C ZINC000101823904 FI Annotated Mild COc1ccccc1Oc1ncccc1/C(=N/O)N1[C@@H](C)CCC[C@@H]1C ZINC000101823907 FI Annotated Mild Cc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=N)S)c3ccccc32)c1 ZINC000101824174 FI Annotated Clean COc1ccc(Oc2cc(/C(=N/O)N3[C@H](C)CCC[C@H]3C)ccn2)cc1 ZINC000101825737 FI Annotated Mild C/C(=C\C#N)N/C(=N\O)c1ccc(C)nc1Oc1ccc2ccccc2c1 ZINC000101826520 FI Annotated Reactive COC12CC3C[C@H](C1)C(NCCNC/C=C(\C)CCC=C(C)C)[C@H](C3)C2 ZINC000101841393 FI Annotated Anodyne COC12CC3C[C@@H](C1)C(NCCNC/C=C(\C)CCC=C(C)C)[C@@H](C3)C2 ZINC000101841399 FI Annotated Anodyne COC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2NCCNC/C=C(\C)CCC=C(C)C ZINC000101863790 FI Annotated Anodyne COC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2NCCNC/C=C(\C)CCC=C(C)C ZINC000101863793 FI Annotated Anodyne CCOc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccc(OC)cc1 ZINC000101869247 FI Annotated Mild Cc1cccc(C)c1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000101872344 FI Annotated Anodyne Cc1cccc(C)c1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000101872350 FI Annotated Anodyne CCCCNC1=C(F)C(=O)c2c(F)c(F)c(F)c(NCCCC)c2C1=O ZINC000101882377 FI Annotated Mild CCS(=O)(=O)c1ccc(/N=N/c2ccc(O)c3ncccc23)c(OC)c1 ZINC000101887933 FI Annotated Clean O=C1[C@H]2[C@H]3S[C@@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 ZINC000101899906 FI Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1S[C@H]2c2ccc3ccccc3c21 ZINC000101899911 FI Annotated Anodyne Cc1ccccc1/C(O)=C(C#N)/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000101915282 FI Annotated Reactive CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000101916830 FI Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000101916832 FI Annotated Mild Cc1c(/N=N/C(C#N)=C(\O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000101946417 FI Annotated Reactive CCOC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)N=C1C ZINC000101955733 FI Annotated Clean O=C1CCCC2=C1[C@@H](c1ccc(F)cc1Cl)N=C(c1nccs1)N2 ZINC000101958473 FI Annotated Mild NC12C[C@@H]3C[C@H](C1)CC(SSC14C[C@@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2 ZINC000101961129 FI Annotated Reactive Fc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 ZINC000101964624 FI Annotated Anodyne Fc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 ZINC000101964630 FI Annotated Anodyne COC1=CC[C@H]2C(=C1)[C@@H]1c3cc(OC)ccc3C[C@@H]2N(CC2CC2)[C@@H]1C ZINC000101966545 FI Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC ZINC000101966734 FI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC ZINC000101966739 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@H]1CNC[C@@H]21 ZINC000102016783 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@H]1CNC[C@H]21 ZINC000102016789 FI Annotated Mild O=C1C(NC(c2ccccc2)c2ccccc2)=C(Cl)C(=O)c2ncccc21 ZINC000102022460 FI Annotated Mild CC(/C=C/C=C(\C)C(=O)O)=C1/C(=O)C[C@H]2[C@H]3CCC(=O)C[C@@H]3CC[C@]12C ZINC000102084960 FI Annotated Mild COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccc(Br)cc1)N2 ZINC000102155506 FI Annotated Mild CC/C=C/C=C/[C@@H]1C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102182854 FI Annotated Reactive CC/C=C/C=C/[C@H]1C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102182857 FI Annotated Reactive CC/C=C/C=C/[C@@H]1C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102182858 FI Annotated Reactive CC/C=C/C=C/[C@H]1C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102182861 FI Annotated Reactive CC[C@H](OO)[C@@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102182865 FI Annotated Reactive CC[C@@H](OO)[C@@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102182868 FI Annotated Reactive CC[C@H](OO)[C@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102182872 FI Annotated Reactive CC[C@@H](OO)[C@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102182877 FI Annotated Reactive CC/C=C\C[C@H](OO)[C@@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000102182882 FI Annotated Reactive CC/C=C\C[C@@H](OO)[C@@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000102182885 FI Annotated Reactive CC/C=C\C[C@H](OO)[C@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000102182892 FI Annotated Reactive CC/C=C\C[C@@H](OO)[C@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000102182896 FI Annotated Reactive C/C=C/[C@@H]1C[C@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1 ZINC000102182900 FI Annotated Reactive C/C=C/[C@H]1C[C@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1 ZINC000102182905 FI Annotated Reactive C/C=C/[C@@H]1C[C@@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1 ZINC000102182908 FI Annotated Reactive C/C=C/[C@H]1C[C@@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1 ZINC000102182912 FI Annotated Reactive CC[C@@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO ZINC000102183054 FI Annotated Reactive CC[C@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO ZINC000102183057 FI Annotated Reactive CC[C@@H]1[C@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO ZINC000102183060 FI Annotated Reactive CC[C@H]1[C@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO ZINC000102183062 FI Annotated Reactive CC/C=C/C[C@@H]1C=C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102183074 FI Annotated Reactive CC/C=C/C[C@H]1C=C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102183078 FI Annotated Reactive CC/C=C/C[C@@H]1C=C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102183083 FI Annotated Reactive CC/C=C/C[C@H]1C=C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1 ZINC000102183085 FI Annotated Reactive CC[C@H](OO)[C@@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102183089 FI Annotated Reactive CC[C@@H](OO)[C@@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102183091 FI Annotated Reactive CC[C@H](OO)[C@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102183095 FI Annotated Reactive CC[C@@H](OO)[C@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000102183099 FI Annotated Reactive CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@H]1CCC(=O)O1 ZINC000102185814 FI Annotated Mild CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C/[C@H]1CCC(=O)O1 ZINC000102185819 FI Annotated Mild OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187002 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187004 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187007 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187010 FI Annotated Anodyne COc1ccc(C)cc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 ZINC000102227115 FI Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3c2[C@@H]1CCCC3 ZINC000102227648 FI Annotated Anodyne COc1ccc([C@@H]2Cc3ccccc3[C@H](C3=C(O)OCCC3=O)C2)cc1 ZINC000102238591 FI Annotated Mild COc1ccc([C@H]2Cc3ccccc3[C@H](C3=C(O)OCCC3=O)C2)cc1 ZINC000102238599 FI Annotated Mild COc1ccc([C@@H]2Cc3ccccc3[C@@H](C3=C(O)OCCC3=O)C2)cc1 ZINC000102238607 FI Annotated Mild COc1ccc([C@H]2Cc3ccccc3[C@@H](C3=C(O)OCCC3=O)C2)cc1 ZINC000102238613 FI Annotated Mild CN(C)Cc1cc(OCCC[18F])ccc1Sc1ccc(F)cc1N ZINC000102290954 FI Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(Cl)ccc1C ZINC000102300961 FI Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(Cl)ccc1C ZINC000102300965 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000102313658 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000102313661 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@@H]1C3 ZINC000102313663 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@@H]1C3 ZINC000102313666 FI Annotated Anodyne O=S(=O)(Nc1cccc2ncccc12)c1ccc2[nH]c3ccncc3c2c1 ZINC000102328226 FI Annotated Anodyne C=C(C)[C@H]1C[C@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@H](C)CC)=C3O ZINC000102328229 FI Annotated Mild C=C(C)[C@H]1C[C@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C3O ZINC000102328230 FI Annotated Mild CCS(=O)(=O)c1ccc(OC)c(/N=N\c2ccc(O)c3ncccc23)c1 ZINC000102367262 FI Annotated Clean CN(C)/C=N/c1c(C=O)c(-c2ccccc2)nn1-c1ccccc1Cl ZINC000102393492 FI Annotated Mild O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1/N=C/N1CCCCC1 ZINC000102396286 FI Annotated Mild CN(C)/C=N/c1c(C=O)c(-c2ccccc2)nn1-c1cccc(Cl)c1 ZINC000102399751 FI Annotated Mild Clc1ccc(C/N=c2/scnn2Cc2ccc(Cl)cc2)cc1 ZINC000102418487 FI Annotated Anodyne COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 ZINC000102442204 FI Annotated Reactive COC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 ZINC000102442207 FI Annotated Reactive CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/N=N\N1CCSCC1 ZINC000102467834 FI Annotated Clean CCn1c(O)c(/N=N\C(=O)c2cccnc2)c2cc(Br)ccc21 ZINC000102602597 FI Annotated Clean O=C(CSc1nc2ccccc2[nH]1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000102651229 FI Annotated Clean COc1cccc(/N=N\c2c(N)nn3c(O)cc(-c4ccccc4)nc23)c1 ZINC000102656801 FI Annotated Clean Cc1c(/N=N\C(C#N)=C(/O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000102658280 FI Annotated Reactive Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccn1)C1=C(O)CCCC1=N2 ZINC000102674680 FI Annotated Anodyne Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccn1)C1=C(O)CCCC1=N2 ZINC000102674681 FI Annotated Anodyne CCCCOC(=O)c1ccc(/N=N\c2c(O)nc(O)c(C#N)c2C)cc1 ZINC000102678843 FI Annotated Mild Cc1cc(C(=O)N/N=C2\CC(=O)CC(C)(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000102730091 FI Annotated Reactive CCC/C(=N/Cc1ccccc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000102730975 FI Annotated Mild CCC/C(=N/Cc1ccccc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000102730979 FI Annotated Mild COc1cc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O ZINC000102761109 FI Annotated Reactive COc1cc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O ZINC000102761112 FI Annotated Reactive CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000102761145 FI Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000102761147 FI Annotated Anodyne Cc1ccccc1/C(O)=C(C#N)/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000102768823 FI Annotated Reactive CN[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000102790395 FI Annotated Anodyne CCOC[C@@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(Cl)cc(Cl)c1 ZINC000102805446 FI Annotated Anodyne CCOC[C@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(Cl)cc(Cl)c1 ZINC000102805449 FI Annotated Anodyne O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000102819160 FI Annotated Anodyne CC1(C)OC(=O)C(/C=N\Nc2c(Cl)cc(Cl)cc2Cl)=C(O)O1 ZINC000102849701 FI Annotated Mild Cc1ccc(NC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1C ZINC000102858961 FI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000102863054 FI Annotated Anodyne O=S(=O)(/N=c1\ssc(-c2ccccc2)c1Cl)c1ccccc1 ZINC000102877733 FI Annotated Anodyne C=C1C=C(C(F)F)n2ncc(C(=O)Nc3ccc(N(CC)CC)cc3)c2N1 ZINC000102882412 FI Annotated Anodyne CCc1noc(C)c1C(=O)N1CCCS/C1=N\c1ccccc1Cl ZINC000102885846 FI Annotated Mild O=C1CC(=O)CC(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000102893975 FI Annotated Anodyne CC1(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)CC(=O)C1 ZINC000102895054 FI Annotated Anodyne C[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(=O)CC(=O)C1 ZINC000102895333 FI Annotated Anodyne C[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(=O)CC(=O)C1 ZINC000102895335 FI Annotated Anodyne Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc2c1OC[C@@H]1CO[C@@H]2O1 ZINC000102925496 FI Annotated Mild Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc2c1OC[C@H]1CO[C@H]2O1 ZINC000102925497 FI Annotated Mild Cc1ccc2c([C@H]3Cc4ccccc4N3C(=O)/C=C\C(=O)O)c(C)[nH]c2c1 ZINC000102933599 FI Annotated Anodyne O=C1C[C@@H]2S[C@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 ZINC000102937235 FI Annotated Anodyne Cc1cc(Br)ccc1/N=N/[C@@H]1C(=O)ON=C1c1ccccc1 ZINC000102943192 FI Annotated Mild CCCCOC(=O)C(=O)[C@@H](CCC(=O)c1ccc(C)cc1)C(=O)C=C(C)C ZINC000102950244 FI Annotated Mild CCCCOC(=O)C(=O)[C@H](CCC(=O)c1ccc(C)cc1)C(=O)C=C(C)C ZINC000102950247 FI Annotated Mild Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@H](c3cccc(Cl)c3)C2)c1 ZINC000102956223 FI Annotated Anodyne Cc1ccc(O)c(C2=CC3=NNC(=O)[C@H]3[C@H](c3cccc(Cl)c3)C2)c1 ZINC000102956225 FI Annotated Anodyne Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000102956228 FI Annotated Anodyne Cc1ccc(O)c(C2=CC3=NNC(=O)[C@H]3[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000102956230 FI Annotated Anodyne CC1=NN=C(N)N/C1=C/[C@H](Sc1ccc(Cl)cc1)c1cccs1 ZINC000102958587 FI Annotated Anodyne CC1=NN=C(N)N/C1=C/[C@@H](Sc1ccc(Cl)cc1)c1cccs1 ZINC000102958590 FI Annotated Anodyne O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@H]2[C@@H]3C=C[C@H](C3)[C@H]12 ZINC000102979371 FI Annotated Mild O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]12 ZINC000102979374 FI Annotated Mild O=C1CC(=O)N(c2ccccc2)N1/C(=C/c1ccccc1)c1ccccc1 ZINC000102979816 FI Annotated Clean O=C1C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccccc2)C(=O)c2ccccc21 ZINC000102988598 FI Annotated Mild CC(C)n1c(=N)n(CCOc2ccc(Br)cc2)c2ccccc21 ZINC000102999133 FI Annotated Anodyne Cc1ccc2c(n1)C(=O)C=C(Nc1ccc(-c3ccc(O)cc3)cc1)C2=O ZINC000103007640 FI Annotated Mild Cc1ccc2c(n1)C(=O)C=C(Nc1ccc(-c3ccc(N)cc3)cc1)C2=O ZINC000103007642 FI Annotated Mild CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)c1ccc(Cl)cc1 ZINC000103020943 FI Annotated Clean CN(C)c1ccc(-c2nc3ccc([125I])cc3o2)cc1 ZINC000103067306 FI Annotated Clean Cn1c(-c2ccccc2)cs/c1=N/C(=O)c1ccc(Br)cc1 ZINC000103083047 FI Annotated Anodyne COc1c(C)cc(O)cc1/C=C/[C@](C)(O)CC(=O)/C=C(\C)CCCC(C)=O ZINC000103086519 FI Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@@](C)(O)CC(=O)/C=C(\C)CCCC(C)=O ZINC000103086521 FI Annotated Mild C=C(C)[C@H]1CC/C(C)=C/CC[C@]2(C)O[C@H]1/C=C(\COC(C)=O)CC[C@H]2O ZINC000103099459 FI Annotated Mild CC/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1ccco1 ZINC000103101807 FI Annotated Mild CC(=N)/C(C#N)=C(\O)CSc1nnc(Nc2c(C)cccc2C)s1 ZINC000103108930 FI Annotated Reactive CC(=N)/C(C#N)=C(\O)CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000103108946 FI Annotated Reactive CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@H](C)C[C@@H](O)C3=C(C)C[C@@H](O3)[C@H]12 ZINC000103129258 FI Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C/[C@H](O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]12 ZINC000103129299 FI Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C/[C@H](O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 ZINC000103129301 FI Annotated Anodyne CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O ZINC000103134522 FI Annotated Clean c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCN2CCCCC2)cc1 ZINC000103148613 FI Annotated Anodyne O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@@H]2CCCCCN12 ZINC000103152761 FI Annotated Anodyne O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@H]2CCCCCN12 ZINC000103152765 FI Annotated Anodyne Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)C1=C(CCCC1)N2 ZINC000103157191 FI Annotated Anodyne Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)C1=C(CCCC1)N2 ZINC000103157193 FI Annotated Anodyne COc1ccc(-c2c3cc(OC)c(OC)cc3cc3c2nc(N)n3C)cc1 ZINC000103158977 FI Annotated Anodyne COc1nc2nccnc2c(NCC(C)C)c1-c1c(F)cc(F)cc1F ZINC000103166717 FI Annotated Anodyne Cc1ccc(OCc2nc(=S)nc3oc(-c4ccccc4)nn23)cc1 ZINC000103167258 FI Annotated Anodyne O=CCN1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000103167627 FI Annotated Mild O=CCN1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000103167629 FI Annotated Mild Cc1cnc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)s1 ZINC000103167935 FI Annotated Reactive Cc1cnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)s1 ZINC000103167937 FI Annotated Reactive Cc1cnc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)s1 ZINC000103167939 FI Annotated Reactive Cc1cnc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)s1 ZINC000103167940 FI Annotated Reactive Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)OCCC(C)C)c1 ZINC000103167982 FI Annotated Anodyne Cc1cccc(OCc2nc(=S)nc3oc(-c4ccccc4)nn23)c1 ZINC000103168456 FI Annotated Anodyne CCCCCC[C@H]1O[C@@H](OCCCC)C=C(CN2CCCCC2)C1=O ZINC000103168930 FI Annotated Mild CCCCCC[C@@H]1O[C@@H](OCCCC)C=C(CN2CCCCC2)C1=O ZINC000103168932 FI Annotated Mild CCCCCC[C@H]1O[C@H](OCCCC)C=C(CN2CCCCC2)C1=O ZINC000103168934 FI Annotated Mild CCCCCC[C@@H]1O[C@H](OCCCC)C=C(CN2CCCCC2)C1=O ZINC000103168936 FI Annotated Mild CCCCCC[C@H]1O[C@@H](OCC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168938 FI Annotated Mild CCCCCC[C@@H]1O[C@@H](OCC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168940 FI Annotated Mild CCCCCC[C@H]1O[C@H](OCC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168943 FI Annotated Mild CCCCCC[C@@H]1O[C@H](OCC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168944 FI Annotated Mild CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2sc3ccccc3[n+]2[O-])C1 ZINC000103169540 FI Annotated Anodyne CCN(CC)Cc1cccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 ZINC000103170033 FI Annotated Bother CCCCCC[C@H]1O[C@@H](OC(C)(C)C)C=C(CN2CCCCC2)C1=O ZINC000103170365 FI Annotated Mild CCCCCC[C@@H]1O[C@@H](OC(C)(C)C)C=C(CN2CCCCC2)C1=O ZINC000103170370 FI Annotated Mild CCCCCC[C@H]1O[C@H](OC(C)(C)C)C=C(CN2CCCCC2)C1=O ZINC000103170375 FI Annotated Mild CCCCCC[C@@H]1O[C@H](OC(C)(C)C)C=C(CN2CCCCC2)C1=O ZINC000103170376 FI Annotated Mild CC[C@@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 ZINC000103171117 FI Annotated Anodyne CC[C@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 ZINC000103171119 FI Annotated Anodyne CC(C)(C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 ZINC000103171123 FI Annotated Anodyne Cc1ccc(NC2=NN(C(=O)COc3cccc(C)c3)C(C)(C)S2)cc1 ZINC000103172327 FI Annotated Anodyne CC(C)O[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103173639 FI Annotated Anodyne CC(C)O[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103173640 FI Annotated Anodyne C=CCN(C[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl)C1CC1 ZINC000103174525 FI Annotated Mild C=CCN(C[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl)C1CC1 ZINC000103174528 FI Annotated Mild CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccccc1O ZINC000103175630 FI Annotated Clean CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1O ZINC000103175633 FI Annotated Clean CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(O)cc1 ZINC000103175637 FI Annotated Anodyne CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(O)cc1 ZINC000103175641 FI Annotated Anodyne O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 ZINC000103175748 FI Annotated Anodyne O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 ZINC000103175749 FI Annotated Anodyne Cc1cnc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2S)s1 ZINC000103175751 FI Annotated Anodyne Cc1cnc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2S)s1 ZINC000103175752 FI Annotated Anodyne N#CCc1cccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)c1 ZINC000103177410 FI Annotated Mild O=c1nc(-c2ccccc2Cl)on1-c1ccc(OC(F)(F)F)cc1 ZINC000103177684 FI Annotated Anodyne CC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1c1ccccc1 ZINC000103177945 FI Annotated Anodyne CC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1c1ccccc1 ZINC000103177946 FI Annotated Anodyne Cc1ccc(NC(=O)NCCNc2ccnc3c(F)cc(F)cc23)cc1C ZINC000103179432 FI Annotated Anodyne Cn1cc(C(=O)Nc2ccsc2-c2ccccc2)c(C(F)(F)F)n1 ZINC000103179493 FI Annotated Anodyne Cc1ccc(F)cc1NC(=O)NCCNc1ccnc2c(F)cc(F)cc12 ZINC000103179523 FI Annotated Anodyne COc1ccc2c(c1Cl)CN1CN2Cc2c1ccc(OC)c2Cl ZINC000103179613 FI Annotated Clean COc1cc2c(cc1Cl)N1Cc3cc(OC)c(Cl)cc3N(C2)C1 ZINC000103179719 FI Annotated Clean Cn1s/c(=N/C(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000103181467 FI Annotated Anodyne CCCOc1c([N+](=O)[O-])c(N(CC)Cc2ccc(Cl)nc2)n(C)c1C ZINC000103181801 FI Annotated Bother Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C(C)(C)N(O)C2=O)c(C)c1 ZINC000103181818 FI Annotated Anodyne CON1C(=O)C(c2c(C)cc(C)cc2C)=C(OC(=O)CC(C)(C)C)C1(C)C ZINC000103181821 FI Annotated Anodyne CO/N=C(/c1nnco1)c1ccccc1COc1ccc(Cl)cc1C ZINC000103183967 FI Annotated Mild CO/N=C(\c1nnco1)c1ccccc1COc1ccc(Cl)cc1C ZINC000103183972 FI Annotated Mild CCC[C@@H](C)OC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C ZINC000103184216 FI Annotated Anodyne CCC[C@H](C)OC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C ZINC000103184218 FI Annotated Anodyne CO/N=C(\c1ccccc1COc1cc(C)ccc1C)[C@@H]1CC(C)=NO1 ZINC000103184604 FI Annotated Mild CO/N=C(\c1ccccc1COc1cc(C)ccc1C)[C@H]1CC(C)=NO1 ZINC000103184606 FI Annotated Mild N#CC1=C(/N=C/N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Cl)cc1 ZINC000103184863 FI Annotated Reactive N#CC1=C(/N=C/N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103184864 FI Annotated Reactive Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@@H]3c1ccc(Cl)cc1 ZINC000103184866 FI Annotated Reactive Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@H]3c1ccc(Cl)cc1 ZINC000103184868 FI Annotated Reactive CN/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1 ZINC000103185973 FI Annotated Reactive CN/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1 ZINC000103185976 FI Annotated Reactive Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccncc2)cc1C ZINC000103187196 FI Annotated Anodyne CC1(C)CC(=O)C(S(=O)(=O)Nc2ccccc2)=C(Nc2ccccc2)C1 ZINC000103187230 FI Annotated Mild O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(C(F)(F)F)cc1 ZINC000103187546 FI Annotated Anodyne O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)cc1 ZINC000103187548 FI Annotated Anodyne CCCCn1nc2c(c1C(=O)NCc1ccc(C(C)(C)C)cc1)CCC2 ZINC000103187712 FI Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1C(C)C ZINC000103188163 FI Annotated Anodyne Cc1ccc(NC2=C(S(=O)(=O)Nc3ccc(C)cc3)C(=O)CCC2)cc1 ZINC000103188592 FI Annotated Mild Cc1ccccc1-c1nc(=O)n(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000103189114 FI Annotated Anodyne CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccccc1 ZINC000103191208 FI Annotated Clean CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccccc1 ZINC000103191210 FI Annotated Clean CCCCN(CCCC)CC1=C[C@H](OC)O[C@H](C2CCCCC2)C1=O ZINC000103191431 FI Annotated Mild CCCCN(CCCC)CC1=C[C@@H](OC)O[C@H](C2CCCCC2)C1=O ZINC000103191433 FI Annotated Mild CCCCN(CCCC)CC1=C[C@H](OC)O[C@@H](C2CCCCC2)C1=O ZINC000103191436 FI Annotated Mild CCCCN(CCCC)CC1=C[C@@H](OC)O[C@@H](C2CCCCC2)C1=O ZINC000103191440 FI Annotated Mild N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 ZINC000103191803 FI Annotated Reactive N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000103191806 FI Annotated Reactive COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C)c1C)c1ccco1 ZINC000103192381 FI Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1cccc(C)c1C)c1ccco1 ZINC000103192385 FI Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccccc1Cl)c1ccco1 ZINC000103192396 FI Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1Cl)c1ccco1 ZINC000103192399 FI Annotated Anodyne C/C(CC(=O)Nc1nnc(/C=C/c2ccccc2)s1)=N\c1ccccn1 ZINC000103192463 FI Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Nc2nncs2)cc1 ZINC000103195591 FI Annotated Clean O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 ZINC000103196299 FI Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 ZINC000103196303 FI Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 ZINC000103196306 FI Annotated Reactive O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1 ZINC000103196310 FI Annotated Reactive Cc1cnc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2Cl)s1 ZINC000103196587 FI Annotated Anodyne Cc1cnc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2Cl)s1 ZINC000103196589 FI Annotated Anodyne Cc1nn(C)c(C(=O)OCc2ccc(C(C)(C)C)cc2)c1Br ZINC000103197093 FI Annotated Anodyne C1=c2ccccc2=C2ON=C(c3ccccc3)C(c3ccccc3)=C2S1 ZINC000103198023 FI Annotated Anodyne Cc1ccc(C2=NOC3=c4ccccc4=CSC3=C2c2ccccc2)cc1 ZINC000103198025 FI Annotated Anodyne CCCCCCCCCCCC1=C(C(C)=O)C(=O)C=C(OC(C)=O)C1=O ZINC000103198463 FI Annotated Mild Cc1c(Cl)cccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C ZINC000103198539 FI Annotated Anodyne COc1cccc2cc(-c3ccc4c(=O)oc5ccccc5c4n3)c(=O)oc12 ZINC000103198703 FI Annotated Bother Cc1cccc2c1oc(=O)c1ccc(-c3cc4ccccc4oc3=O)nc12 ZINC000103198785 FI Annotated Bother CCOC(=O)c1ccc(OC[C@H](Oc2ccc(C)nc2)C(C)(C)C)cc1 ZINC000103199256 FI Annotated Anodyne CCOC(=O)c1ccc(OC[C@@H](Oc2ccc(C)nc2)C(C)(C)C)cc1 ZINC000103199259 FI Annotated Anodyne Cc1nn(-c2ccccc2)c2c1c(-c1ccc(Cl)cc1)nc1nncn12 ZINC000103201292 FI Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)N4CCNCC4)[C@@H]2CC[C@@H]1C3 ZINC000103202176 FI Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)N5CCNCC5)CCC[C@@]4(C)C2=CC[C@@H]1C3 ZINC000103202178 FI 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)c1cccs1 ZINC000103202681 FI 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)c1cccs1 ZINC000103202682 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4cccs4)[C@@H]3C[C@H]12 ZINC000103202685 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4cccs4)[C@@H]3C[C@H]12 ZINC000103202688 FI Annotated Mild CCC1(CC)C[C@H](COC(=O)Nc2ccc(N3CCCCC3)cc2)OC1=O ZINC000103202842 FI Annotated Anodyne CCC1(CC)C[C@@H](COC(=O)Nc2ccc(N3CCCCC3)cc2)OC1=O ZINC000103202843 FI 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)c1cccc(F)c1 ZINC000103202880 FI 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)c1cccc(F)c1 ZINC000103202883 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4cccc(F)c4)[C@@H]3C[C@H]12 ZINC000103202886 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4cccc(F)c4)[C@@H]3C[C@H]12 ZINC000103202889 FI 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(F)cc1 ZINC000103202891 FI 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(F)cc1 ZINC000103202892 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4ccc(F)cc4)[C@@H]3C[C@H]12 ZINC000103202894 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4ccc(F)cc4)[C@@H]3C[C@H]12 ZINC000103202896 FI 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)c1ccccc1C ZINC000103203022 FI 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)c1ccccc1C ZINC000103203023 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4ccccc4C)[C@@H]3C[C@H]12 ZINC000103203025 FI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4ccccc4C)[C@@H]3C[C@H]12 ZINC000103203027 FI Annotated Mild C[C@H](COc1ccccc1F)NC(=O)[C@@]1(C(F)(F)F)C[C@](C)(Cl)C1 ZINC000103204390 FI Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccccc2)o1 ZINC000103204755 FI Annotated Anodyne C[C@@H](NC(=O)C1(Cl)CC(C)(Cl)C1)c1ccc(Br)cc1 ZINC000103205775 FI Annotated Anodyne O=C1CCCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000103205837 FI Annotated Anodyne O=C1CCCCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000103205839 FI Annotated Anodyne CCc1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3Cl)nn12 ZINC000103206444 FI Annotated Anodyne C[C@@]12CCCC(COC(=O)Cc3ccccc3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103206619 FI Annotated Anodyne C[C@@]12CCCC(COC(=O)c3ccccc3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103206624 FI Annotated Anodyne C[C@@]12CCCC(COC(=O)c3ccc(F)cc3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103206632 FI Annotated Anodyne C[C@@]12CCCC(COC(=O)c3cccc(F)c3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103206701 FI Annotated Anodyne CC1(C)CCc2cc([C@@H](C#Cc3ccccc3)N3CCOCC3)ccc2O1 ZINC000103208397 FI Annotated Mild CC1(C)CCc2cc([C@H](C#Cc3ccccc3)N3CCOCC3)ccc2O1 ZINC000103208400 FI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@@H](c2ccccc2O)N1 ZINC000103208437 FI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@H](c2ccccc2O)N1 ZINC000103208439 FI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@@H](c2cccc(O)c2)N1 ZINC000103208441 FI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@H](c2cccc(O)c2)N1 ZINC000103208444 FI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@@H](c2ccc(O)cc2)N1 ZINC000103208447 FI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@H](c2ccc(O)cc2)N1 ZINC000103208449 FI Annotated Mild CCOC(=O)c1cnn(-c2ccccc2Br)c1-c1ccccc1 ZINC000103209365 FI Annotated Anodyne Cc1cc(Cl)cc(C(=O)NNCc2ccccc2)c1NC(=O)C(C)(C)C ZINC000103210027 FI Annotated Reactive COP(=O)(OC)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000103210594 FI Annotated Anodyne COP(=O)(OC)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000103210597 FI Annotated Anodyne COP(=O)(OC)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000103210598 FI Annotated Anodyne COP(=O)(OC)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000103210600 FI Annotated Anodyne Cc1ccn2c(CN(C)C)c(-c3cccc(Br)c3F)nc2c1 ZINC000103211643 FI Annotated Anodyne COC(=O)c1ccccc1SSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000103213184 FI Annotated Reactive COc1cccc([C@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)c1 ZINC000103213389 FI Annotated Mild COc1cccc([C@@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)c1 ZINC000103213391 FI Annotated Mild COc1ccc([C@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000103213396 FI Annotated Mild COc1ccc([C@@H]2C3=C(CCCC3=O)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000103213400 FI Annotated Mild Cc1ccccc1C(=O)Nn1c(S)nnc1-c1cccc2ccccc12 ZINC000103213730 FI Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)NCCCN)[C@@H]2CC[C@@H]1C3 ZINC000103213988 FI Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)NCCCN)CCC[C@@]4(C)C2=CC[C@@H]1C3 ZINC000103213990 FI Annotated Mild COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C)cc1)c1ccccc1 ZINC000103214122 FI Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(C)cc1)c1ccccc1 ZINC000103214124 FI Annotated Anodyne COc1ccccc1[C@H]1C2=C(CCCC2=O)Oc2c1c(=O)oc1ccccc21 ZINC000103214737 FI Annotated Mild COc1ccccc1[C@@H]1C2=C(CCCC2=O)Oc2c1c(=O)oc1ccccc21 ZINC000103214741 FI Annotated Mild Oc1ccccc1-c1nnc2sc(Cc3cccc4ccccc34)nn12 ZINC000103214902 FI Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(Br)cc3)c(N)c2C=O)cc1 ZINC000103215260 FI Annotated Anodyne CCCO[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103216675 FI Annotated Anodyne CCCO[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103216677 FI Annotated Anodyne CCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCCC)C2=O ZINC000103216979 FI Annotated Bother O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2cccc(O)c2s1 ZINC000103218532 FI Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2c(O)cccc2s1 ZINC000103218535 FI Annotated Anodyne Nc1oc2ccccc2c(=O)c1/C=N/N=C(c1ccccc1)c1ccccc1 ZINC000103220729 FI Annotated Mild Clc1ccc2c(c1)cc(-c1nc3cc(Cl)ccc3[nH]1)c1nnnn12 ZINC000103221798 FI Annotated Anodyne O=c1c2ccccc2n2c(-c3ccc(Cl)cc3)nnc2n1-c1ccccc1 ZINC000103223772 FI Annotated Anodyne C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cccc2)cc1 ZINC000103224125 FI Annotated Mild Oc1cc(CSc2cccc(F)c2F)nc2cc(-c3ccccn3)nn12 ZINC000103224607 FI Annotated Anodyne C=C(C)[C@@H](C)c1cc(C(=O)/C=C/c2ccc(O)c(O)c2OC)ccc1O ZINC000103224722 FI Annotated Mild C=C(C)[C@H](C)c1cc(C(=O)/C=C/c2ccc(O)c(O)c2OC)ccc1O ZINC000103224724 FI Annotated Mild Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(C(F)(F)F)c4)C3)n2)o1 ZINC000103227004 FI Annotated Anodyne Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(C(F)(F)F)c4)C3)n2)o1 ZINC000103227008 FI Annotated Anodyne Cc1ccc(C(=O)N/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 ZINC000103227523 FI Annotated Reactive CN(C(=O)C1=CC2c3ccccc3C1(C=O)c1ccccc12)C1CCCCC1 ZINC000103228119 FI Annotated Mild CCN(CC)C(=O)O/N=C/C12c3ccccc3C(C[C@@H]1C#N)c1ccccc12 ZINC000103228164 FI Annotated Mild CCN(CC)C(=O)O/N=C/C12c3ccccc3C(C[C@H]1C#N)c1ccccc12 ZINC000103228167 FI Annotated Mild Oc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000103228701 FI Annotated Anodyne Oc1ccc(CN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000103228717 FI Annotated Anodyne COc1ccc([N+](=O)[O-])cc1NCn1nc(-c2ccc(C)cc2)oc1=S ZINC000103228950 FI Annotated Bother C=CC(C)(C)c1cc(C(=O)/C=C/c2ccc(O)c(O)c2OC)ccc1O ZINC000103229703 FI Annotated Mild O=C(c1cc(Br)c[nH]1)N(Cc1ccc(F)cc1)CC1CCC1 ZINC000103232595 FI Annotated Anodyne O=C(c1cc(Br)c[nH]1)N(Cc1cccc(F)c1)CC1CCC1 ZINC000103232597 FI Annotated Anodyne O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1F)CC1CCC1 ZINC000103232600 FI Annotated Anodyne N#Cc1ccc(CN(CC2CCC2)C(=O)c2cc(Br)c[nH]2)cc1 ZINC000103232612 FI Annotated Mild COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1 ZINC000103236532 FI Annotated Anodyne COc1ccc([C@@H]2C(c3ccccc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000103236535 FI Annotated Anodyne C/C(O)=C1/C(=O)N(O)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc21 ZINC000103238379 FI Annotated Anodyne O=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12 ZINC000103239782 FI Annotated Bother C=CCn1c(SCC)nc2c(c1=O)C(C)(C)Cc1ccc(OC)cc1-2 ZINC000103240825 FI Annotated Mild CCOC(=O)c1oc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000103241964 FI Annotated Anodyne CN(C)c1ccc(/C=C2\COc3ccc(Br)cc3C2=O)cc1 ZINC000103242805 FI Annotated Mild Fc1cc(Br)ccc1Nc1ncnc2c1oc1cccnc12 ZINC000103244391 FI Annotated Anodyne Cn1c2cnc1ONC(=O)CCCCCCCCCOc1ccccc1-2 ZINC000103244449 FI Annotated Anodyne C=CCCCCOc1ccccc1-c1cnc(OCCOCC=C)n1C ZINC000103244469 FI Annotated Mild C/C(=N\NC(=N)N)c1sc(-c2ccc(C3=CCCCC3)cc2)nc1C ZINC000103245291 FI Annotated Mild C/C(=N\NC(=N)N)c1sc(-c2ccc(C3CCCCC3)cc2)nc1C ZINC000103245296 FI Annotated Mild O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1ccc(Cl)cc1Cl ZINC000103245483 FI Annotated Anodyne O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1c(Cl)cccc1Cl ZINC000103245485 FI Annotated Anodyne COc1ccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)cc1OC ZINC000103248103 FI Annotated Anodyne CCOP(=O)(OCC)[C@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C ZINC000103249381 FI Annotated Reactive CCOP(=O)(OCC)[C@@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C ZINC000103249382 FI Annotated Reactive O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000103251174 FI Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000103251176 FI Annotated Anodyne CC[C@@H](Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000103251353 FI Annotated Anodyne CC[C@H](Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000103251356 FI Annotated Anodyne Nc1nc(OCC2CCCCC2)c2nc(-c3ccccc3Cl)[nH]c2n1 ZINC000103255602 FI Annotated Anodyne CCSc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 ZINC000103261307 FI Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)n2c(=S)[nH]c3ccc(Cl)cc32)c1 ZINC000103262653 FI Annotated Anodyne Cc1nc2sccn2c1-c1csc(Nc2ccc(N(C)C)nc2)n1 ZINC000103263277 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCCCCl)[nH]c21 ZINC000103264509 FI Annotated Reactive COc1ccc(-c2cc3nc4ccc(Br)cc4n3cn2)cc1 ZINC000103266966 FI Annotated Anodyne CC1(C)C[C@H](Nc2cccc(F)c2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000103267489 FI Annotated Mild CC1(C)C[C@@H](Nc2cccc(F)c2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000103267492 FI Annotated Mild CCOC(=O)c1[nH]c(-c2ccc(Cl)cc2)c(C#N)c1Br ZINC000103272181 FI Annotated Mild CCOC(=O)/N=c1/sc(SC)cn1-c1cccc(C(F)(F)F)c1 ZINC000103272200 FI Annotated Anodyne CCOC(=O)/N=c1/sc2c(n1-c1cccc(C(F)(F)F)c1)CCC2 ZINC000103272204 FI Annotated Anodyne CCOC(=O)/N=c1/sc2c(n1-c1cccc(C(F)(F)F)c1)CCCC2 ZINC000103272206 FI Annotated Anodyne O=CN1[C@H](c2ccco2)C/C(=N/O)[C@H](Cc2ccccc2)[C@@H]1c1ccco1 ZINC000103272974 FI Annotated Mild O=CN1[C@H](c2ccco2)C/C(=N/O)[C@@H](Cc2ccccc2)[C@@H]1c1ccco1 ZINC000103272977 FI Annotated Mild O=CN1[C@H](c2ccco2)C/C(=N/O)[C@H](Cc2ccccc2)[C@H]1c1ccco1 ZINC000103272978 FI Annotated Mild O=CN1[C@H](c2ccco2)C/C(=N/O)[C@@H](Cc2ccccc2)[C@H]1c1ccco1 ZINC000103272981 FI Annotated Mild Cc1nc2ccccc2cc1-c1nnc(-c2coc3ccccc3c2=O)o1 ZINC000103273597 FI Annotated Anodyne CC(C)[C@@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(CO)(CO)CO)C1 ZINC000103274466 FI Annotated Anodyne CC(C)[C@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(CO)(CO)CO)C1 ZINC000103274468 FI Annotated Anodyne CCCCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103274547 FI Annotated Mild Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CCCCC3)c(C)c1 ZINC000103274812 FI Annotated Anodyne CCCC(=O)OC1CCC(OC2CCC(OC(=O)CCC)CC2)CC1 ZINC000103274963 FI Annotated Anodyne CC(C)C(=O)OC1CCC(OC2CCC(OC(=O)C(C)C)CC2)CC1 ZINC000103274967 FI Annotated Anodyne CC(=O)OC/C(=C\c1ccccc1Br)C(=O)c1ccccc1 ZINC000103275456 FI Annotated Mild CC(=O)OC/C(=C/c1ccccc1Br)C(=O)c1ccccc1 ZINC000103275457 FI Annotated Mild Cc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000103275871 FI Annotated Mild CCCC[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103277664 FI Annotated Anodyne CCCC[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103277667 FI Annotated Anodyne O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1C(=O)c1ccccc1 ZINC000103278032 FI Annotated Anodyne O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1C(=O)c1ccccc1 ZINC000103278035 FI Annotated Anodyne O=C(/C=C/c1ccccc1F)Oc1cc(CCc2ccccc2)oc(=O)c1 ZINC000103278637 FI Annotated Anodyne Cc1ccccc1/C=C/C(=O)Oc1cc(CCc2ccccc2)oc(=O)c1 ZINC000103278722 FI Annotated Anodyne CN(C)c1ccc(/C=N/CCCC/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000103279721 FI Annotated Mild O=[N+]([O-])c1ccc(/C=N/c2nc3ccccc3n2Cc2cccc(F)c2)o1 ZINC000103280192 FI Annotated Mild COc1ccccc1C(=O)n1cc(C)n(-c2ccccc2OC)c1=S ZINC000103285362 FI Annotated Anodyne COc1cccc(-n2c(C)cn(C(=O)c3ccccc3OC)c2=S)c1 ZINC000103285364 FI Annotated Anodyne CSc1nc2c(C)cccc2c(=O)n1-c1ccccc1Br ZINC000103285982 FI Annotated Anodyne CCC1(CC)C[C@H](CCOC(=O)c2ccc(Br)cc2)OC1=O ZINC000103286425 FI Annotated Anodyne CCC1(CC)C[C@@H](CCOC(=O)c2ccc(Br)cc2)OC1=O ZINC000103286427 FI Annotated Anodyne CCCSc1c(C)on(C(=O)N(c2ccc(F)cc2F)C(C)C)c1=O ZINC000103288301 FI Annotated Anodyne C#CCSc1c(C)on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O ZINC000103288319 FI Annotated Mild O=S(=O)(O)c1cc(O)c(/N=C/c2ccc(Cl)cc2)c2ccccc12 ZINC000103288958 FI Annotated Mild CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3c[nH]nc32)C1=O ZINC000103290096 FI Annotated Mild CCCCCCC(C)(C)C1=CC(=O)C2=C(OC(C)(C)c3cn(C)nc32)C1=O ZINC000103290101 FI Annotated Mild COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3o2)cc(OC)c1OC ZINC000103290749 FI Annotated Reactive CN(C)CC(CSC(=O)c1ccccc1)CSC(=O)c1ccccc1 ZINC000103291135 FI Annotated Anodyne COc1ccc2c(c1N)CCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103291486 FI Annotated Anodyne C[C@H](Cl)C(=O)n1cc(-c2ocnc2Br)c2ccccc21 ZINC000103292280 FI Annotated Reactive C[C@@H](Cl)C(=O)n1cc(-c2ocnc2Br)c2ccccc21 ZINC000103292284 FI Annotated Reactive COc1cccc2c1COc1cc(Nc3ccc(F)cc3N)ccc1C2=O ZINC000103293003 FI Annotated Anodyne Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(Cl)Cl)s1 ZINC000103296418 FI Annotated Reactive C=CC(=O)N1CCc2c(sc3ncnc(Nc4cccc(CC)c4)c23)C1 ZINC000103297809 FI Annotated Anodyne C=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(CC)cc4)c23)C1 ZINC000103297812 FI Annotated Anodyne Nc1nc(NC(=O)c2ccc3ccccc3c2)nc2ccc3[nH]ccc3c12 ZINC000103297904 FI Annotated Anodyne COc1cc([C@@H](Nc2ccccc2)P(=O)(OC)OC)cc(OC)c1O ZINC000103299965 FI Annotated Anodyne COc1cc([C@H](Nc2ccccc2)P(=O)(OC)OC)cc(OC)c1O ZINC000103299969 FI Annotated Anodyne COc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc(C)c2C)cc1 ZINC000103300927 FI Annotated Anodyne CC(C)c1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1 ZINC000103301560 FI Annotated Clean O=C(C1CC1)N1CCC(N(c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000103303259 FI Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000103348516 FI Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000103348521 FI Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103351583 FI Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103351585 FI Annotated Anodyne CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccn2)/C1=C(/O)OC(C)C ZINC000103522969 FI Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccccn2)/C1=C(/O)OC(C)C ZINC000103522970 FI Annotated Mild CCc1nn2c(O)cc(Cc3c(C)[nH]c4c(F)cccc34)nc2c1CC ZINC000103525067 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 ZINC000103530843 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 ZINC000103530849 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(C)cc1 ZINC000103530877 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(C)cc1 ZINC000103530883 FI Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccc(C)cc2)/C1=C(\O)OC1CCCCC1 ZINC000103531132 FI Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccc(C)cc2)/C1=C(\O)OC1CCCCC1 ZINC000103531137 FI Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cccs2)/C1=C(/O)OCc1ccccc1 ZINC000103532490 FI Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccs2)/C1=C(/O)OCc1ccccc1 ZINC000103532495 FI Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCC)nn21 ZINC000103532627 FI Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCC)nn21 ZINC000103532631 FI Annotated Anodyne CCCCN(CCCC)CCn1cnc2c3cc(F)ccc3nc-2c1O ZINC000103533867 FI Annotated Anodyne CCCCN(CCCC)CCn1cnc2c3ccc(OC)cc3nc-2c1O ZINC000103533904 FI Annotated Anodyne Cc1ccc(CSc2nc3nncc-3c(O)n2-c2ccc(C)cc2)cc1 ZINC000103538236 FI Annotated Anodyne CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000103538695 FI Annotated Anodyne CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000103538704 FI Annotated Anodyne CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(OC(F)F)cc3)C2=C(O)C1 ZINC000103539486 FI Annotated Anodyne CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(OC(F)F)cc3)C2=C(O)C1 ZINC000103539491 FI Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 ZINC000103539863 FI Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 ZINC000103539868 FI Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(O)CCCC2=N3)cc1 ZINC000103541798 FI Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N3)cc1 ZINC000103541803 FI Annotated Anodyne CCO/C(O)=C1\C(CC)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000103543898 FI Annotated Mild CCO/C(O)=C1\C(CC)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 ZINC000103543905 FI Annotated Mild O=[N+]([O-])c1cc(-c2n[nH]c(O)c2C2=NCCCCC2)c(Cl)cc1Cl ZINC000103544406 FI Annotated Bother CC(=O)O/C1=C2\C=C(C)C(=O)[C@H]2[C@H]2O[C@@]2(C)CC[C@H]2[C@@H](C[C@H]1C)C2(C)C ZINC000103549651 FI Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@@]23C(=O)C(C(=O)[C@@H](C)CC)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000103558573 FI Annotated Mild in-vitro biogenic C=C(C)[C@H]1C[C@@]23C(=O)C(C(=O)[C@@H](C)CC)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000103558576 FI Annotated Mild in-vitro biogenic COc1ccc2nc3c(O)n(C)c(SCc4ccccc4C)nc-3c2c1 ZINC000103563834 FI Annotated Anodyne C[C@H](C=O)CCCCCC[C@H](CCC/C=C/C(=O)O)Cc1c[cH-]c(=O)nc1 ZINC000103564572 FI Annotated Mild in-vitro biogenic COc1cc(C(=O)CC(=O)c2ccccc2)c(OC)c2c1OC(C)(C)C=C2 ZINC000103566850 FI Annotated Anodyne in-vitro biogenic CC(C)n1[nH]cc2nc(-c3cn(-c4ccccc4)nc3-c3ccncc3)nc1-2 ZINC000103588225 FI Annotated Anodyne c1ccc(-c2nc3c[nH]n(Cc4ccncc4)c-3n2)c(OC2CCCC2)c1 ZINC000103589999 FI Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)C1 ZINC000103591585 FI Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)C1 ZINC000103591589 FI Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCn2cnc3c4cc(Cl)ccc4nc-3c2O)C1 ZINC000103591595 FI Annotated Anodyne Cc1ccc2nc3c(O)n(CCCN(C)C4CCCCC4)cnc-3c2c1 ZINC000103591690 FI Annotated Anodyne COC(=O)c1c[nH]n2c(NC3CCC(C)CC3)c(-c3ccc(C)cc3)nc12 ZINC000103618223 FI Annotated Anodyne CC/N=c1\c(N/C(O)=N/c2ccccc2Cl)c(O)oc2ccccc12 ZINC000103632405 FI Annotated Anodyne CC/N=c1\c(N/C(O)=N/c2cccc(Cl)c2)c(O)oc2ccccc12 ZINC000103632594 FI Annotated Anodyne CC/N=c1\c(/N=C(\O)Nc2ccc(Cl)cc2)c(O)oc2ccccc12 ZINC000103632654 FI Annotated Anodyne CCC/N=c1\c(NC(=O)c2ccc(CC)cc2)c(O)oc2ccccc12 ZINC000103646691 FI Annotated Anodyne CCC/N=c1\c(N/C(O)=N/Cc2ccc(C)cc2)c(O)oc2ccccc12 ZINC000103654871 FI Annotated Mild CCC/N=c1\c(/N=C(\O)Nc2ccc(OC)cc2)c(O)oc2ccccc12 ZINC000103654926 FI Annotated Mild CCC/N=c1\c(N/C(O)=N/c2ccccc2F)c(O)oc2ccccc12 ZINC000103654936 FI Annotated Mild CCC/N=c1\c(N/C(O)=N/c2cccc(OC)c2)c(O)oc2ccccc12 ZINC000103654989 FI Annotated Mild CCC/N=c1\c(N/C(O)=N/CCc2ccccc2)c(O)oc2ccccc12 ZINC000103655000 FI Annotated Mild CCC/N=c1\c(N/C(O)=N/c2ccc(F)cc2F)c(O)oc2ccccc12 ZINC000103655111 FI Annotated Mild CCC/N=c1\c(/N=C(\O)Nc2ccc(C)cc2)c(O)oc2ccccc12 ZINC000103655219 FI Annotated Mild CCC/N=c1\c(N/C(O)=N/Cc2ccc(F)cc2)c(O)oc2ccccc12 ZINC000103655233 FI Annotated Mild CCC/N=c1\c(N/C(O)=N/c2ccccc2C)c(O)oc2ccccc12 ZINC000103655280 FI Annotated Mild CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 ZINC000103663493 FI Annotated Anodyne CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 ZINC000103663496 FI Annotated Anodyne CCC/N=c1\c(/N=C(\O)COc2ccccc2C)c(O)oc2ccccc12 ZINC000103667631 FI Annotated Mild CC/N=c1\c(N/C(O)=N/c2cc(C)cc(C)c2)c(O)oc2ccccc12 ZINC000103668076 FI Annotated Mild CC/N=c1\c(/N=C(\O)Nc2ccc(CC)cc2)c(O)oc2ccccc12 ZINC000103668144 FI Annotated Mild CC/N=c1\c(N/C(O)=N/c2cccc(C)c2C)c(O)oc2ccccc12 ZINC000103668156 FI Annotated Mild CC/N=c1\c(/N=C(\O)c2cc(Cl)ccc2OC)c(O)oc2ccccc12 ZINC000103668161 FI Annotated Anodyne CCSc1nc2n(n1)[C@H](c1ccncc1)C1=C(O)CC(C)(C)CC1=N2 ZINC000103669344 FI Annotated Anodyne CCSc1nc2n(n1)[C@@H](c1ccncc1)C1=C(O)CC(C)(C)CC1=N2 ZINC000103669346 FI Annotated Anodyne CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 ZINC000103671530 FI Annotated Anodyne CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 ZINC000103671535 FI Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(C)o1 ZINC000103684847 FI Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(C)o1 ZINC000103684851 FI Annotated Anodyne CCC/N=c1\c(/N=C(\O)COc2ccc(C)cc2)c(O)oc2ccccc12 ZINC000103705743 FI Annotated Mild CCC/N=c1\c(/N=C(\O)Nc2ccc(F)cc2)c(O)oc2ccccc12 ZINC000103706838 FI Annotated Mild COc1ccc(Cc2[nH]n3c(=O)cc(C(C)C)nc3c2-c2ccccc2)cc1 ZINC000103746544 FI Annotated Anodyne COc1ccc(C[C@@H](O)c2n[nH]/c(=N/c3cccc(C(C)C)c3)s2)cc1 ZINC000103780450 FI Annotated Anodyne COc1ccc(C[C@H](O)c2n[nH]/c(=N/c3cccc(C(C)C)c3)s2)cc1 ZINC000103780453 FI Annotated Anodyne CC1=C(C)c2cc3c(cc2N/C1=C1\C=C(Br)C=CC1=O)OCO3 ZINC000103786532 FI Annotated Mild C[C@@H](CCc1sccc1N/N=C1\C(=O)C=Cc2ccccc21)CC(=O)O ZINC000103806478 FI Annotated Mild C[C@H](CCc1sccc1N/N=C1\C(=O)C=Cc2ccccc21)CC(=O)O ZINC000103806483 FI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1O ZINC000103866217 FI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1O ZINC000103866223 FI Annotated Mild C=CCON/C(C)=C1/C(=O)C(C)=C(c2ccccc2)N(c2ccccc2)C1=O ZINC000103871757 FI Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000103873775 FI Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000103873780 FI Annotated Mild S=c1nc2ccccc2c2nc(-c3ccccc3Br)[nH]n12 ZINC000103880767 FI Annotated Anodyne Cc1ccc(CSc2nc3nncc-3c(O)n2-c2cccc(C)c2)cc1 ZINC000103893055 FI Annotated Anodyne CCc1cccc(C)c1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 ZINC000103901124 FI Annotated Anodyne CCc1cccc(C)c1NC(=O)[C@H](CC)Sc1nc2cc[nH]cc-2n1 ZINC000103901127 FI Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cc(C)cc1C ZINC000103901715 FI Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cc(C)cc1C ZINC000103901720 FI Annotated Anodyne CCCCN(CCCC)CCn1cnc2c3cc(C)ccc3nc-2c1O ZINC000103904177 FI Annotated Anodyne CCCN(CCC)CCCn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000103904266 FI Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 ZINC000103912843 FI Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 ZINC000103912846 FI Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 ZINC000103912849 FI Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 ZINC000103912851 FI Annotated Anodyne COC1=CC=C/C(=C2\N=C(Oc3cc(C)ccc3C)c3ccccc3N2)C1=O ZINC000103916492 FI Annotated Mild Cc1ccsc1C(=O)NC1=C/C(=C2\Nc3ccccc3S2)C(=O)C=C1 ZINC000103917820 FI Annotated Mild COc1cc(C)ccc1OC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21 ZINC000103918123 FI Annotated Mild COc1ccc(C)cc1NC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21 ZINC000103918131 FI Annotated Mild CCOc1ccccc1OC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21 ZINC000103918138 FI Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 ZINC000103918732 FI Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 ZINC000103918740 FI Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 ZINC000103918744 FI Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 ZINC000103918751 FI Annotated Anodyne CCO/C(O)=C1/C(C)=NC(S)=N[C@H]1c1ccc(Br)cc1 ZINC000103920121 FI Annotated Anodyne CCO/C(O)=C1/C(C)=NC(S)=N[C@@H]1c1ccc(Br)cc1 ZINC000103920125 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(-c3ccc(Cl)cc3)nc21 ZINC000103941077 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(F)c1 ZINC000103948593 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(F)c1 ZINC000103948600 FI Annotated Anodyne Cc1ccccc1CSc1nc2nncc-2c(O)n1-c1ccccc1C ZINC000103952447 FI Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)c1 ZINC000103953711 FI Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)c1 ZINC000103953717 FI Annotated Anodyne COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)cc1 ZINC000103961426 FI Annotated Clean CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1cccnc1 ZINC000103961926 FI Annotated Clean CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SC)nn21 ZINC000103963933 FI Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SC)nn21 ZINC000103963938 FI Annotated Anodyne O=C(COc1ccc(Cl)cc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000103965856 FI Annotated Clean O=C(COc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000103969454 FI Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc(O)cc1 ZINC000103969463 FI Annotated Clean O=C(COc1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103969896 FI Annotated Clean CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000103995418 FI Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000103995422 FI Annotated Mild COc1ccc([C@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)c(OC)c1OC ZINC000103997044 FI Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)c(OC)c1OC ZINC000103997052 FI Annotated Reactive COc1cc([C@@H]2C3=C(CCCC3=O)N=C3C2=C(O)c2ccccc23)ccc1O ZINC000104002991 FI Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)N=C3C2=C(O)c2ccccc23)ccc1O ZINC000104002996 FI Annotated Mild CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N1 ZINC000104003968 FI Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 ZINC000104003971 FI Annotated Anodyne COC1=CC=C/C(=C2\N=C(Oc3cccc(C)c3C)c3ccccc3N2)C1=O ZINC000104004166 FI Annotated Mild COC1=CC=C/C(=C2\N=C(Oc3cc(C)cc(C)c3)c3ccccc3N2)C1=O ZINC000104004345 FI Annotated Mild Cc1ccc(C(=O)N2N/C(=C3/C=CC=CC3=O)C[C@H]2c2ccccc2)cc1 ZINC000104005814 FI Annotated Mild Cc1ccc(C(=O)N2N/C(=C3/C=CC=CC3=O)C[C@@H]2c2ccccc2)cc1 ZINC000104005817 FI Annotated Mild CC1=C/C(=C2/C=C(C(F)(F)C(F)F)NC(c3ccccc3)=N2)C(=O)C=C1 ZINC000104006467 FI Annotated Mild CC1=C2C(=NC3=C(C(=O)CCC3)[C@@H]2c2ccccn2)N(c2cccc(C)c2)N1 ZINC000104007151 FI Annotated Mild CC1=C2C(=NC3=C(C(=O)CCC3)[C@H]2c2ccccn2)N(c2cccc(C)c2)N1 ZINC000104007157 FI Annotated Mild COc1ccc(/C=C/C2=N/C(=C3/C=CC=CC3=O)N(c3ccccc3)N2)cc1 ZINC000104011105 FI Annotated Mild COC1=CC=C/C(=C2\N=C(Oc3cccc(C)c3)c3ccccc3N2)C1=O ZINC000104019681 FI Annotated Mild C=C(C)COC1=CC(=O)/C(=C2\NC=NC=C2c2ccc(Cl)cc2)C=C1 ZINC000104019812 FI Annotated Mild CC1=C/C(=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)N(c2ccccc2)N1 ZINC000104021399 FI Annotated Clean COC1=CC(Br)=C/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O ZINC000104023074 FI Annotated Mild CC[C@@H]1CCCCN1C1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21 ZINC000104028988 FI Annotated Mild CC[C@H]1CCCCN1C1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21 ZINC000104028993 FI Annotated Mild CCOC(=O)/C(C#N)=C1\Nc2ccccc2N=C1N(CC(C)C)CC(C)C ZINC000104030600 FI Annotated Reactive CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000104033244 FI Annotated Mild CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000104033252 FI Annotated Mild CC1(C)Cc2ccccc2C(CSc2n[nH]c3c4ccccc4nc-3n2)=N1 ZINC000104051563 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(F)cc1 ZINC000104056547 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(F)cc1 ZINC000104056553 FI Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)/C1=C(\O)OC1CCCCC1 ZINC000104059978 FI Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2)/C1=C(\O)OC1CCCCC1 ZINC000104059983 FI Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(SC)cc1 ZINC000104060109 FI Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(SC)cc1 ZINC000104060115 FI Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(SC)cc1 ZINC000104060248 FI Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(SC)cc1 ZINC000104060253 FI Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000104070613 FI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000104070617 FI Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000104070679 FI Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)ccc1O ZINC000104070682 FI Annotated Anodyne CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000104071060 FI Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000104071063 FI Annotated Mild CC1=C(C(=O)OC2CCCC2)[C@H](c2ccncc2)C2=C(O)CCCC2=N1 ZINC000104075704 FI Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N1 ZINC000104075710 FI Annotated Anodyne CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 ZINC000104076056 FI Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 ZINC000104076059 FI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)s1 ZINC000104077449 FI Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)s1 ZINC000104077455 FI Annotated Mild CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000104079315 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000104079319 FI Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccc(C)o2)/C1=C(\O)OCCOC(C)C ZINC000104082314 FI Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(C)o2)/C1=C(\O)OCCOC(C)C ZINC000104082317 FI Annotated Mild CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000104082859 FI Annotated Anodyne CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000104082861 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000104083391 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000104083393 FI Annotated Anodyne CCCCC/N=C\c1c(C)nn(-c2c(F)c(F)c(F)c(F)c2F)c1O ZINC000104101962 FI Annotated Mild COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C)o2)C[C@H]1C ZINC000104107142 FI Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccc(C)o2)C[C@H]1C ZINC000104107144 FI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C)o2)C[C@H]1C ZINC000104107147 FI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccc(C)o2)C[C@H]1C ZINC000104107151 FI Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc1 ZINC000104109559 FI Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(O)nc(O)c32)cc1 ZINC000104109564 FI Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cccc(F)c2)/C1=C(\O)OC1CCCCC1 ZINC000104115657 FI Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccc(F)c2)/C1=C(\O)OC1CCCCC1 ZINC000104115662 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000104115845 FI Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000104115851 FI Annotated Anodyne CCCCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccncc1 ZINC000104115942 FI Annotated Mild CCCCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccncc1 ZINC000104115946 FI Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1 ZINC000104115976 FI Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(F)cc1 ZINC000104115983 FI Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(C)cc1 ZINC000104116069 FI Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1 ZINC000104116075 FI Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1F ZINC000104116182 FI Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1F ZINC000104116187 FI Annotated Mild CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000104344164 FI Annotated Mild OCCC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12 ZINC000104660385 FI Annotated Mild O=C1CS/C(=N/c2ccc(Br)cc2)N1Cc1ccccc1 ZINC000104667681 FI Annotated Mild COC(=O)[C@@]1(/C=C2/c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000104691952 FI Annotated Anodyne COc1cc(-n2nc(C)c(/C=N/c3ccc(O)cc3C)c2O)ccc1Cl ZINC000104695318 FI Annotated Mild Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccc(Cl)c(C(=O)O)c1 ZINC000104695691 FI Annotated Mild Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccc(SC#N)cc1 ZINC000104699266 FI Annotated Reactive COc1ccc(/N=C(\C)c2c(C)nn(-c3ccccc3)c2O)c(OC)c1 ZINC000104699628 FI Annotated Mild CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N1 ZINC000104702229 FI Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 ZINC000104702234 FI Annotated Anodyne CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/Cc1ccc(F)cc1 ZINC000104705184 FI Annotated Mild CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CCc1ccccc1 ZINC000104705913 FI Annotated Mild O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000105481274 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@H](c4cc5ccccc5cc43)[C@H]2C(=O)N1c1ccccc1 ZINC000105482662 FI Annotated Anodyne O=C1[C@@H]2[C@H]3S[C@@H](c4c3ccc3ccccc43)[C@H]2C(=O)N1c1ccccc1 ZINC000105482666 FI Annotated Anodyne O=C1[C@H]2[C@H]3S[C@@H](c4c3ccc3ccccc43)[C@H]2C(=O)N1c1ccccc1 ZINC000105482668 FI Annotated Anodyne COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)c1 ZINC000105518606 FI Annotated Anodyne COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)c1 ZINC000105518611 FI Annotated Anodyne C[C@@H]1[C@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 ZINC000105518615 FI Annotated Anodyne O=C1C[C@H]2S[C@@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 ZINC000105531468 FI Annotated Anodyne O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 ZINC000105793731 FI Annotated Anodyne O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCCC3)CC[C@H]21 ZINC000105793737 FI Annotated Anodyne O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 ZINC000105793849 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@H](c4cc5ccccc5cc43)[C@@H]2C(=O)N1c1ccccc1 ZINC000107171539 FI Annotated Anodyne Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 ZINC000111441537 FI Annotated Mild CC(=O)Nc1cc(-c2cnccc2Nc2cccc3[nH]ccc23)nc(C)n1 ZINC000113150726 FI Annotated Anodyne Cc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)O)cc4c3c2)c(F)c1 ZINC000113205289 FI Annotated Anodyne CCOc1ccc(C#Cc2ccc(C[C@@H](C)N3CC(C)(C)C3=O)cc2)cc1 ZINC000113254577 FI Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)N3CC(C)(C)C3=O)cc2)cc1 ZINC000113254579 FI Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)c3ccco3)cc2)cc1 ZINC000113410915 FI Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)c3ccco3)cc2)cc1 ZINC000113410918 FI Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)c3cc[nH]c3)cc2)cc1 ZINC000113411612 FI Annotated Anodyne CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)c3cc[nH]c3)cc2)cc1 ZINC000113411615 FI Annotated Anodyne CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)C(C)(C)F)cc2)cc1 ZINC000113413842 FI Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)C(C)(C)F)cc2)cc1 ZINC000113413844 FI Annotated Mild Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CC(C)C)nn12 ZINC000113420183 FI Annotated Anodyne CCCn1cc(-c2ccccc2)nc1CCc1nc2cc(C)cc(C)n2n1 ZINC000113420384 FI Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4ccccc4F)cn3C)nc2c1 ZINC000113420433 FI Annotated Anodyne Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3CC#N)nc2n1 ZINC000113421125 FI Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4ccc(F)cc4)cn3C)nc2c1 ZINC000113421503 FI Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4cccc(F)c4)cn3C)nc2c1 ZINC000113422344 FI Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3CC#N)nc2c1 ZINC000113422375 FI Annotated Anodyne Cc1cc(Cl)cn2nc(SCc3nc(-c4ccccc4)cn3C)nc12 ZINC000113423737 FI Annotated Anodyne Cn1cc(-c2cccc(Cl)c2)nc1CSc1nc2ccccn2n1 ZINC000113423991 FI Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CC(C)C)nc2n1 ZINC000113424273 FI Annotated Anodyne COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1 ZINC000113654346 FI Annotated Anodyne COc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113655994 FI Annotated Anodyne NC1(c2ccc(-c3nc4ccc(CO)cn4c3-c3ccccc3)cc2)CCC1 ZINC000113656327 FI Annotated Anodyne NC1(c2ccc(-c3nc4nc(O)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113656808 FI Annotated Anodyne NC1(c2ccc(-c3nc4c(CO)cccn4c3-c3ccccc3)cc2)CCC1 ZINC000113657803 FI Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000113894395 FI Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000113894397 FI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(C(F)(F)F)c1 ZINC000114027290 FI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(C(F)(F)F)c1 ZINC000114028090 FI Annotated Anodyne Oc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)nn1 ZINC000114346635 FI Annotated Anodyne Nc1[nH]nc(NCCc2c[nH]c3ccccc23)c1-c1nc2ccccc2s1 ZINC000114398137 FI Annotated Anodyne COc1cc2sc(-c3c(-c4cccc(F)c4)n[nH]c3N)nc2cc1F ZINC000114399365 FI Annotated Anodyne Nc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(Cl)c(Cl)c2)nn1 ZINC000114512940 FI Annotated Anodyne Nc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(Cl)c(Cl)c2)nn1 ZINC000114512943 FI Annotated Anodyne COCc1c(-c2nc(-c3cc(F)ccc3F)no2)cnn1-c1ccccc1 ZINC000114563001 FI Annotated Anodyne O=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)NC1CC1 ZINC000114603271 FI Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CO)nc3)cc12 ZINC000114711183 FI Annotated Anodyne c1cc2[nH]nc(-c3cnn(CC4CCC4)c3)c2c(OC2CCCCC2)n1 ZINC000114759007 FI Annotated Anodyne COc1cc(-c2nc(Nc3ccccc3C)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114912132 FI Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cccc(F)c4)c3C2)nc1 ZINC000114995097 FI Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cccc(F)c4)c3C2)nc1 ZINC000114995099 FI Annotated Anodyne CC[C@@H](Nc1ncnc2c1CN(c1ccc(C)cn1)CC2)c1ccccc1 ZINC000114995532 FI Annotated Anodyne CC[C@H](Nc1ncnc2c1CN(c1ccc(C)cn1)CC2)c1ccccc1 ZINC000114995534 FI Annotated Anodyne CCc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 ZINC000114996809 FI Annotated Anodyne CCc1ccc([C@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 ZINC000114996812 FI Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4F)c3C2)nc1 ZINC000114996855 FI Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccccc4F)c3C2)nc1 ZINC000114996857 FI Annotated Anodyne Cc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 ZINC000114998322 FI Annotated Anodyne COCCN(Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1)C(C)C ZINC000011663760 FI Annotated Anodyne CC1=NC(=O)[C@@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@H]2CCCCN12 ZINC000011677023 FI Annotated Anodyne Cc1nc2cnccc2n1CCCO[C@H]1CC[C@@H](c2ccc(F)cc2)O1 ZINC000011687524 FI Annotated Anodyne Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@H](c2ccc(F)cc2)O1 ZINC000011687525 FI Annotated Anodyne O=C([C@@H]1CC12CCCC2)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011702048 FI Annotated Anodyne O=C([C@H]1CC12CCCC2)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011702057 FI Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000011712799 FI Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000011712809 FI Annotated Anodyne COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccon2)c1 ZINC000011760366 FI Annotated Anodyne O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCCCC1 ZINC000011815766 FI Annotated Anodyne CCOC(=O)C1(CC2CC2)CCN(Cc2cn(C)c3ccccc23)CC1 ZINC000011874448 FI Annotated Anodyne C[C@@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)C1CC1 ZINC000011879828 FI Annotated Anodyne C[C@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)C1CC1 ZINC000011879829 FI Annotated Anodyne O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cc4ccccc4o3)N3CCC[C@@]123 ZINC000011933856 FI Annotated Anodyne Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000011937325 FI Annotated Anodyne Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000011937326 FI Annotated Anodyne C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(C)nc2)on1 ZINC000011938084 FI Annotated Mild Cc1cc(-c2ccc(O)c(CN3CCCC[C@@H]3CO)c2)c2ccccc2n1 ZINC000011995592 FI Annotated Clean Cc1cc(-c2ccc(O)c(CN3CCCC[C@H]3CO)c2)c2ccccc2n1 ZINC000011995593 FI Annotated Clean CSCc1ccc(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3)C2)o1 ZINC000011998376 FI Annotated Anodyne CSCc1ccc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3)C2)o1 ZINC000011998378 FI Annotated Anodyne CC(C)Nc1nc(-c2ccc(C(C)(C)C)cc2)cc2ncn(C)c(=O)c12 ZINC000115625367 FI Annotated Anodyne CCN(C(=O)c1ccc(C(=O)c2cnc3ccccn23)cc1)c1ccccc1 ZINC000115950063 FI Annotated Anodyne Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4ccccn4)n3n2)c1 ZINC000116156918 FI Annotated Anodyne in-vitro CN(C)c1ccc(/C=C/C(=O)CC(=O)CCc2ccc(O)cc2)c(Cl)c1 ZINC000116757533 FI Annotated Mild Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 ZINC000116814873 FI Annotated Anodyne O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccncc1F ZINC000116815684 FI Annotated Anodyne O=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1 ZINC000117384813 FI Annotated Anodyne CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc21 ZINC000117622751 FI Annotated Anodyne CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21 ZINC000117622754 FI Annotated Anodyne CC[C@]12CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1CCc1ccccc12 ZINC000117624302 FI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(F)cc(F)c3CC[C@H]21 ZINC000117629501 FI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(F)cc(F)c3CC[C@@H]21 ZINC000117629506 FI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(F)cc(F)c3CC[C@@H]21 ZINC000117629508 FI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(F)cc(F)c3CC[C@H]21 ZINC000117629510 FI Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2C2CCCC2)cc1 ZINC000117784422 FI Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2C2CCCC2)cc1 ZINC000117784425 FI Annotated Anodyne C/C=C/c1cc(/C=C(\CC(=O)CCCCC)C(C)=O)c(C(=O)OC)cn1 ZINC000118373740 FI Annotated Mild CCCCCC(=O)C/C(=C\c1cc(CCC)ncc1C(=O)OC)C(C)=O ZINC000118373980 FI Annotated Mild CC[C@@H](Nc1ccnc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 ZINC000118388301 FI Annotated Anodyne CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)n1)c1ccc(Cl)c(C)c1 ZINC000118394497 FI Annotated Anodyne Cc1csc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)n1 ZINC000118590699 FI Annotated Anodyne Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCC(F)(F)C3)cc12 ZINC000118602920 FI Annotated Anodyne Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cnc1N1CCCC[C@H]1C ZINC000118838805 FI Annotated Anodyne Cc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cnc1N1CCCC[C@@H]1C ZINC000118838807 FI Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000118913726 FI Annotated Mild world CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917785 FI Annotated Mild CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917787 FI Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917789 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118921382 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118930308 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@H]1C[C@@H]1[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118932996 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@H]1[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118932998 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933001 FI Annotated Mild C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933038 FI Annotated Mild C[C@]12CCC(=O)C=C1[C@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933042 FI Annotated Mild C[C@]12CCC(=O)C=C1[C@@H]1C[C@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933044 FI Annotated Mild C[C@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933047 FI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118933050 FI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000118933052 FI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000118933056 FI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000118933058 FI Annotated Mild C[C@]12CCC(=O)C=C1C=C[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933060 FI Annotated Mild C[C@]12CCC(=O)C=C1C=C[C@H]1[C@@H]3[C@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933063 FI Annotated Mild C[C@]12CCC(=O)C=C1C=C[C@H]1[C@@H]3[C@@H]4C[C@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933065 FI Annotated Mild C[C@]12CCC(=O)C=C1C=C[C@H]1[C@@H]3[C@H]4C[C@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933067 FI Annotated Mild Cc1oc(-c2ccccc2Cl)nc1CN(Cc1cnn(C)c1)C(C)C ZINC000012003099 FI Annotated Anodyne O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCCCCC1 ZINC000012029717 FI Annotated Anodyne COc1cccc(-c2ccc(O)c(CNC[C@@H]3C[C@H]4C=C[C@@H]3C43CC3)c2)n1 ZINC000012041756 FI Annotated Clean COc1cccc(-c2ccc(O)c(CNC[C@H]3C[C@H]4C=C[C@@H]3C43CC3)c2)n1 ZINC000012041757 FI Annotated Clean CN1CCC[C@@]2(CCN(Cc3ccc(-c4ccccc4Cl)o3)C2)C1=O ZINC000012195712 FI Annotated Anodyne CN1CCC[C@]2(CCN(Cc3ccc(-c4ccccc4Cl)o3)C2)C1=O ZINC000012195721 FI Annotated Anodyne CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 ZINC000012201033 FI Annotated Anodyne CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 ZINC000012201039 FI Annotated Anodyne CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 ZINC000012201044 FI Annotated Anodyne CC[C@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 ZINC000012201051 FI Annotated Anodyne CCOC(=O)C1(CC2CC2)CCN(Cc2ccc3cccc(F)c3n2)CC1 ZINC000012305870 FI Annotated Anodyne O=C(Nc1csc(Cc2c(Cl)cccc2Cl)n1)NN1CCCC1 ZINC000012354854 FI Annotated Anodyne O=C1Nc2ccc(F)c3c(SC[C@@H]4CCCN4)cc(-c4ccc[nH]4)c1c23 ZINC000012354983 FI Annotated Anodyne OCC1CCC2(CC1)CN(Cc1ccccc1F)Cc1ccccc1O2 ZINC000012365619 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)c([N+](=O)[O-])c2)c2oc3ccccc3c(=O)c12 ZINC000012405789 FI Annotated Bother Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12 ZINC000012405794 FI Annotated Anodyne CCOC(=O)C1(CC2CC2)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012430295 FI Annotated Anodyne C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2ccccc2F)n1 ZINC000012430644 FI Annotated Mild Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)n1 ZINC000012444535 FI Annotated Anodyne Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)n1 ZINC000012444538 FI Annotated Anodyne Fc1ccc(-c2[nH]ncc2CN(CC2CCC2)C[C@@H]2CCCO2)c(F)c1 ZINC000012447039 FI Annotated Anodyne Fc1ccc(-c2[nH]ncc2CN(CC2CCC2)C[C@H]2CCCO2)c(F)c1 ZINC000012447041 FI Annotated Anodyne COC1=C/C(=C\C=C2\C=Cc3cccc(O)c3N2)C(Br)=CC1=O ZINC000012471031 FI Annotated Mild Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1ccncc1 ZINC000012473332 FI Annotated Anodyne Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1ccncc1 ZINC000012473339 FI Annotated Anodyne COC1=CC(Br)=C/C(=C\C=C2\C=Cc3cccc(O)c3N2)C1=O ZINC000012474066 FI Annotated Mild COc1cc(-c2noc(C)c2C#Cc2ccsc2)cc(OC)c1OC ZINC000012474253 FI Annotated Mild CC(C)C[C@@H](CSc1ccccc1)N1CCN(CC(C)C)CCC1=O ZINC000012474402 FI Annotated Anodyne CCOC(=O)c1ccc(-c2c(-c3ccc4c(c3)OCO4)noc2C)cc1F ZINC000012474479 FI Annotated Anodyne CCCN1CCC(=O)N([C@H](CSc2ccccc2)c2ccccc2)CC1 ZINC000012474529 FI Annotated Anodyne COc1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)ccc1F ZINC000012474662 FI Annotated Anodyne CN1/C(=C\C=C2\N=C(c3ccc(F)cc3)OC2=O)C(C)(C)c2ccccc21 ZINC000012476110 FI Annotated Anodyne aggregator C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(C#N)cc2)=NO1 ZINC000012476786 FI Annotated Mild C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(C#N)cc2)=NO1 ZINC000012476792 FI Annotated Mild COc1cc2sc3ccc(C#Cc4ccccn4)cc3c(=O)c2cc1OC ZINC000012476997 FI Annotated Mild C=CCC1(C(=O)N(C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000012477988 FI Annotated Mild COc1ccccc1C1=NO[C@@](C)(c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000012477994 FI Annotated Anodyne COc1ccccc1C1=NO[C@](C)(c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000012477998 FI Annotated Anodyne Cc1c(CCCC(=O)O)sc(N)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000012480054 FI Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1 ZINC000012482242 FI Annotated Anodyne O=c1nc(-c2ccccc2)n2n(Cc3ccccc3)c(O)c3ccccc3c1-2 ZINC000012485383 FI Annotated Anodyne CC(C)n1c(O)c(/N=N\C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000012499571 FI Annotated Clean COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(C)s1 ZINC000012552803 FI Annotated Anodyne COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(C)s1 ZINC000012552806 FI Annotated Anodyne COc1ccc(NCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 ZINC000012554531 FI Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cccs2)c1C ZINC000012586580 FI Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cccs2)c1C ZINC000012586588 FI Annotated Anodyne Cc1ccc(C)c(OCc2cc(C(=O)N3CCc4sccc4C3)no2)c1 ZINC000012593418 FI Annotated Anodyne O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1ccccc1-c1ccco1)C2 ZINC000012597799 FI Annotated Anodyne O=C1N(CC2CC2)CCC[C@]12CCN(Cc1ccccc1-c1ccco1)C2 ZINC000012597800 FI Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N(C)Cc2ccc(C)o2)no1 ZINC000012612983 FI Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C ZINC000012634772 FI Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C ZINC000012634775 FI Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C ZINC000012634778 FI Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)[C@@H]1C ZINC000012634781 FI Annotated Anodyne Cc1ccccc1C(=O)NC(=S)N(Cc1ccccc1)c1ccccn1 ZINC000012651327 FI Annotated Anodyne FC(F)(F)c1cccc(Cc2noc(CN3C[C@@H]4CCC[C@H]3C4)n2)c1 ZINC000012710103 FI Annotated Anodyne CN(Cc1ccon1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012712364 FI Annotated Anodyne C[C@]1(C#N)c2ccccc2C(Br)=CN1C(=O)c1ccccc1 ZINC000012726678 FI Annotated Mild C[C@@]1(C#N)c2ccccc2C(Br)=CN1C(=O)c1ccccc1 ZINC000012726681 FI Annotated Mild CCCNc1nc(-c2cc(C(=O)Nc3ccccc3)on2)cc(C(C)C)n1 ZINC000012727050 FI Annotated Anodyne O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccs1 ZINC000012728409 FI Annotated Mild O=c1nc(SCc2ccccc2Cl)nc2n(-c3ccccc3)[nH]cc1-2 ZINC000012732161 FI Annotated Anodyne C[C@H](c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012751038 FI Annotated Anodyne C[C@@H](c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012751043 FI Annotated Anodyne O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Nc1ccccn1 ZINC000012940238 FI Annotated Anodyne CC(C)(C)OC(=O)N1C(C2=COc3ccccc3O2)=COc2cccnc21 ZINC000012947784 FI Annotated Anodyne Cc1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1Cl ZINC000013010932 FI Annotated Anodyne S=c1[nH]nc(-c2ccccn2)n1/N=C\c1c(Cl)cccc1Cl ZINC000013108311 FI Annotated Mild CC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000013108503 FI Annotated Reactive CC1=CC(=O)C=C/C1=N\C1=C(Nc2ccc(O)cc2C)Nc2ccccc2N1 ZINC000013110458 FI Annotated Mild CC(C)c1ccc(-c2nc(N3CCCCCC3)nc3n[nH]c(N)c23)cc1 ZINC000013110796 FI Annotated Anodyne CN(C)/C=N/c1ncc2c3ccccc3n(Cc3ccccc3)c2c1C#N ZINC000013115593 FI Annotated Mild Cc1ccnc(/N=C/c2nc(-c3ccccc3Br)oc2O)c1 ZINC000013116686 FI Annotated Mild O=C1C=C/C(=C/C=C2\Nc3ccccc3C(=O)N2c2ccccc2)C=C1O ZINC000013118835 FI Annotated Mild COc1ccccc1N1C(=O)c2ccccc2N/C1=C\C=C1C=CC(=O)C=C1 ZINC000013119019 FI Annotated Mild O=C1C=C/C(=C(/Cc2ccc3ccccc3n2)NNc2ccccc2)C(O)=C1 ZINC000013119096 FI Annotated Mild COc1ccc(N2C(=O)c3ccccc3N/C2=C\C=C2C=CC(=O)C=C2)cc1 ZINC000013119245 FI Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NN=C(c2ccccc2)c2ccccc2)C=C1 ZINC000013122178 FI Annotated Mild COc1ccc(NN=C2N=C(c3ccccc3)C(c3ccccc3)=N2)cc1 ZINC000013124237 FI Annotated Mild COc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 ZINC000013125676 FI Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000013125767 FI Annotated Clean CCOC(=O)C1=C(O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)N=C1C ZINC000013130250 FI Annotated Clean COc1ccccc1NN=C1N=C(c2ccccc2)C(c2ccccc2)=N1 ZINC000013130720 FI Annotated Mild CCc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 ZINC000013131736 FI Annotated Anodyne aggregator CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 ZINC000013131737 FI Annotated Anodyne aggregator CCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 ZINC000013131739 FI Annotated Anodyne aggregator CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 ZINC000013132118 FI Annotated Anodyne CCc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 ZINC000013132120 FI Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 ZINC000013132121 FI Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 ZINC000013132178 FI Annotated Anodyne CCc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 ZINC000013132180 FI Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 ZINC000013132183 FI Annotated Anodyne COc1cccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)c1 ZINC000013132206 FI Annotated Anodyne COc1cccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)c1 ZINC000013132208 FI Annotated Anodyne COc1cccc([C@H]2C[C@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)c1 ZINC000013132210 FI Annotated Anodyne C/C(=N/NC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000013132615 FI Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=N\Nc1nc2ccccc2n1C ZINC000013136122 FI Annotated Mild C/C(=N\OCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1 ZINC000013139934 FI Annotated Mild Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1C[C@@H]1CCCO1 ZINC000013140134 FI Annotated Anodyne Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1C[C@H]1CCCO1 ZINC000013140135 FI Annotated Anodyne O=C(c1cccs1)N1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000013140209 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 ZINC000013146627 FI Annotated Anodyne C/C(=N/N=c1/[nH]c2ccccc2s1)c1ccc(Br)s1 ZINC000013146717 FI Annotated Mild COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 ZINC000013146871 FI Annotated Anodyne CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@@H]2c1cccs1 ZINC000013147143 FI Annotated Anodyne aggregator CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@H]2c1cccs1 ZINC000013147144 FI Annotated Anodyne aggregator Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C ZINC000013154424 FI Annotated Mild COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000013154736 FI Annotated Anodyne CCOC(=O)c1ccc2c(c1)nc1n2[C@@H](c2c(F)cccc2F)SC1 ZINC000013162076 FI Annotated Anodyne CCOC(=O)/C(=C\c1ccnc2ccccc12)P(=O)(OCC)OCC ZINC000013214891 FI Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@H](c1cccnc1)[C@@H](c1ccccc1)C2=O ZINC000013220539 FI Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cccnc1)[C@@H](c1ccccc1)C2=O ZINC000013220541 FI Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@H](c1cccnc1)[C@H](c1ccccc1)C2=O ZINC000013220543 FI Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cccnc1)[C@H](c1ccccc1)C2=O ZINC000013220545 FI Annotated Anodyne CCc1nc(-c2cc(OC)cc(OC)c2)cc2cc(OC)c(OC)cc12 ZINC000013282176 FI Annotated Anodyne CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 ZINC000013285380 FI Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000013298273 FI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000013298274 FI Annotated Anodyne COc1c2c(c(COC(=O)C=C(C)C)c3c(C)coc13)[C@@H](C)[C@H](O)C=C2 ZINC000013300581 FI Annotated Anodyne C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@@H](O)[C@@H]2C ZINC000013300597 FI Annotated Anodyne C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@H](O)[C@@H]2C ZINC000013300599 FI Annotated Anodyne CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000013302725 FI Annotated Anodyne in-vitro biogenic CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000013302726 FI Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H](OC(C)=O)[C@@]2(O)C1 ZINC000013329034 FI Annotated Mild COc1cc(OC)cc(-c2oc3c(ccc4occc43)c(=O)c2OC)c1 ZINC000013340709 FI Annotated Anodyne in-vitro biogenic C=C(CC)[C@H](C)C[C@@H]1C[C@H](C)C[C@H](C)C(=O)C[C@H](O)/C(C)=C/C(=O)O1 ZINC000013358591 FI Annotated Mild COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c[n+]3c(cc21)CCC3 ZINC000013360260 FI Annotated Bother in-vitro biogenic COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1cc3[n+](cc21)CCC3 ZINC000013360266 FI Annotated Bother CC1=C[C@@H](C/C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)OC1=O ZINC000013360945 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 ZINC000013361807 FI Annotated Mild COc1cccc2c1C(OC)(OC)n1c-2c2c3c(cc(C)cc31)C=CC2=O ZINC000013366678 FI Annotated Mild CC[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000013369469 FI Annotated Clean O=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCc2ccccc2C1 ZINC000013369478 FI Annotated Anodyne CC(C)n1c(O)c(/N=N\C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000013371715 FI Annotated Clean C=C(C)[C@H]1CC(=O)c2oc3c4c(cc(O)c3c(=O)c2C1)OC(C)(C)C=C4 ZINC000013373262 FI Annotated Mild in-man endogenous CC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)cc3)=C2O)ccc1O ZINC000013373848 FI Annotated Anodyne C=C(C)/C=C/c1c(OC)c2c(c(CCC(=O)O)c1OC)OC(C)(C)C=C2 ZINC000013374859 FI Annotated Mild Oc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1 ZINC000013376233 FI Annotated Bother biogenic in-vivo C[C@@H]1Oc2[nH]c3ccccc3c(=O)c2[C@@]1(C)CC[C@H]1OC(C)(C)OC1(C)C ZINC000013380064 FI Annotated Anodyne O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 ZINC000013381880 FI Annotated Clean CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc5c(c4)OCO5)coc23)O1 ZINC000013382710 FI Annotated Anodyne CC(=O)O[C@@H]1/C(C(C)C)=C/C=C(/C)CC/C=C(/C)CC[C@@H]2O[C@]2(C)[C@H]1O ZINC000013384507 FI Annotated Anodyne COc1c(OC(C)=O)ccc2c1cnc1c3cc4c(cc3ccc21)OCO4 ZINC000013385534 FI Annotated Bother CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CCC(=O)C(C)(C)[C@H]2CC1 ZINC000013386329 FI Annotated Reactive COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]23)cc1[N+](=O)[O-] ZINC000013389152 FI Annotated Clean CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2Cc1c(O)ccc(O)c1C=O ZINC000013393225 FI Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2Cc1c(O)ccc(O)c1C=O ZINC000013393227 FI Annotated Anodyne CN(C)c1cc2c3c(c4nccc5c4c2n1-c1ccccc1-5)NC(=O)CS3 ZINC000013430302 FI Annotated Anodyne CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc(O)c(O)c2)C1 ZINC000013432181 FI Annotated Clean CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(C[C@H]2OC2(C)C)c1O ZINC000013434907 FI Annotated Anodyne in-vitro biogenic CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(C[C@@H]2OC2(C)C)c1O ZINC000013434910 FI Annotated Anodyne N#Cc1cccc(-c2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)c1 ZINC000013436644 FI Annotated Mild N#Cc1cccc(-c2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)c1 ZINC000013436646 FI Annotated Mild O=c1c(-c2cccs2)cccn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013436697 FI Annotated Anodyne O=c1c(-c2cccs2)cccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013436700 FI Annotated Anodyne CCc1cc2c(C(=O)Nc3c(C)cc(C#N)cc3Cl)cnc(OC)c2o1 ZINC000013437957 FI Annotated Mild N/C(=N\c1ccc(NC(=O)C[C@H]2CCSS2)cc1)c1cccs1 ZINC000013441940 FI Annotated Reactive NCc1nc2cc(NCc3ccccc3OCc3ccccc3)ccc2[nH]1 ZINC000013445533 FI Annotated Anodyne NCc1nc2cc(NCc3ccc(OCc4ccccc4)cc3)ccc2[nH]1 ZINC000013445559 FI Annotated Anodyne CCCN(C)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013446345 FI Annotated Anodyne CCN(CC)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013446351 FI Annotated Anodyne O=[S@@](Cc1cc(Oc2ccc(F)cc2)ccn1)c1nc2cscc2[nH]1 ZINC000013448780 FI Annotated Anodyne Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000013451353 FI Annotated Anodyne COc1cc(C)c2c(=O)c3c(O)c(Cl)c(OC)c(Cl)c3oc2c1 ZINC000013451778 FI Annotated Bother COc1cc2oc3cc(OC)c(Cl)c(O)c3c(=O)c2c(C)c1Cl ZINC000013451832 FI Annotated Bother COc1cc2c(cc1O)oc1c(-c3ccc(O)cc3)cc(C(=O)O)cc12 ZINC000013452402 FI Annotated Anodyne CSc1[nH]cnc1Cn1c2cnccc2c2ccc(Br)cc21 ZINC000013452982 FI Annotated Anodyne CC[C@H](O)CCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 ZINC000013460227 FI Annotated Anodyne C=CCOc1c(OC)cc2c(c1OC)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000013460283 FI Annotated Mild COC(=O)CCCCCCCCCCCC[C@]1(O)OC(=O)C(C)=C1C ZINC000013460887 FI Annotated Anodyne Fc1ccccc1N/C(S)=N/N=C/c1ccccc1Br ZINC000013468841 FI Annotated Mild O=C1CCN(Cc2ccccc2)C/C1=C\c1ccn(C(=O)c2ccccc2)c1 ZINC000013470160 FI Annotated Mild CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@H](CC3CCCCC3)CC[C@]12C ZINC000013471871 FI Annotated Mild CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](CC3CCCCC3)CC[C@]12C ZINC000013471873 FI Annotated Mild CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](C3CCCCC3)CC[C@]12C ZINC000013471886 FI Annotated Mild CN(C)CCCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](C3CCCCC3)CC[C@]12C ZINC000013471887 FI Annotated Mild C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2/C=N/OCCCCN ZINC000013471891 FI Annotated Mild C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2CC/C=N/OCCN ZINC000013471896 FI Annotated Mild CC(/C=N/OCCN)=C\[C@H]1CC[C@]2(O)C[C@@H](C3CCCCC3)CC[C@]12C ZINC000013471900 FI Annotated Mild COc1ccc2c(c1)CCC1(CCN(CCc3ccc(F)cc3F)CC1)O2 ZINC000013472066 FI Annotated Anodyne O=[N+]([O-])c1cc(/C(Cc2ccccc2)=N\Nc2ccccc2)cc(O)c1O ZINC000013472286 FI Annotated Mild CCCCCCN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O ZINC000013473146 FI Annotated Anodyne CC/C(=N\N=C(/S)NCc1ccco1)c1cccc(Br)c1 ZINC000013474235 FI Annotated Mild S=C(Nc1ccccc1)N1CCC(c2cccc(Br)c2)=N1 ZINC000013474239 FI Annotated Anodyne Nc1nc(NCC2CCCCC2)c2c(n1)NC[C@H](c1ccc(Cl)cc1)N2 ZINC000013474493 FI Annotated Anodyne Nc1nc(NCC2CCCCC2)c2c(n1)NC[C@@H](c1ccc(Cl)cc1)N2 ZINC000013474494 FI Annotated Anodyne CC(C)=CCN1Cc2ccc(Br)c3nc(S)n(c23)C[C@@H]1C ZINC000013474556 FI Annotated Anodyne Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 ZINC000013475121 FI Annotated Anodyne Cn1c2nc3ccccc3c-2cc2cc(I)ccc21 ZINC000013475320 FI Annotated Bother CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 ZINC000013475521 FI Annotated Anodyne Cc1nc(C(=O)NCCC(C)C)sc1[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000013478252 FI Annotated Anodyne Cc1nc(C(=O)NCCC(C)C)sc1[C@]1(C)CC(c2ccccc2)=NO1 ZINC000013478254 FI Annotated Anodyne Cc1ccc(/C=C2\SCCN(C(=O)c3ccc4ccccc4c3)C2=O)o1 ZINC000013479504 FI Annotated Anodyne Cc1ccc(C(=O)Nc2nnc(SC(=O)c3ccc(C)cc3)s2)cc1 ZINC000013479509 FI Annotated Anodyne COc1c2c(c(OC)c3occc13)O[C@@H](c1ccccc1)[C@H](OC)[C@H]2OC ZINC000013480413 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@H](OC)[C@@H]2OC ZINC000013480415 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@H](OC)[C@@H]2OC ZINC000013480416 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@@H](OC)[C@@H]2OC ZINC000013480417 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@@H](OC)[C@@H]2OC ZINC000013480418 FI Annotated Anodyne Cc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ncccc3O2)cc1 ZINC000013491322 FI Annotated Anodyne Cc1cn2c(NC34CC5CC(CC(C5)C3)C4)nc(-c3ccccc3)nc2n1 ZINC000013491995 FI Annotated Anodyne CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 ZINC000013493263 FI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(C)ccnc3[nH]2)cc1Cl ZINC000130074342 FI Annotated Anodyne O=C(OCCCCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 ZINC000013524822 FI Annotated Bother C[n+]1cccc(C(=O)OCCCCCCCn2ccc3ccccc32)c1 ZINC000013524903 FI Annotated Anodyne COC(=O)c1cc(C=C2c3ccccc3C(=O)c3ccccc32)ccc1O ZINC000013524975 FI Annotated Anodyne CC1(C)CN(N2CCCCC2=O)c2cc(Br)ccc2S1 ZINC000013525452 FI Annotated Anodyne C=CCc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3[N+](=O)[O-])oc12 ZINC000013526404 FI Annotated Mild CC(C)OCc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2 ZINC000013532231 FI Annotated Anodyne Cc1ccc2c(c1)[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O ZINC000013534967 FI Annotated Bother CCc1ccc2c(c1)[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O ZINC000013534971 FI Annotated Bother Cc1cc2ccn(C)c2c2c3c(c4c5ccc(F)cc5[nH]c4c12)C(=O)NC3=O ZINC000013535033 FI Annotated Bother COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CCNCC[C@H]1C2 ZINC000013535537 FI Annotated Anodyne COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CCNCC[C@@H]1C2 ZINC000013535542 FI Annotated Anodyne CCCCOc1c(C(=O)c2c(F)cc(Cl)cc2F)cnc2n[nH]cc12 ZINC000013535796 FI Annotated Anodyne CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O ZINC000013536147 FI Annotated Anodyne OCc1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 ZINC000013536222 FI Annotated Anodyne OCCc1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 ZINC000013536225 FI Annotated Anodyne Oc1c2c(nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCS2 ZINC000013536726 FI Annotated Anodyne Cc1ccc(O[C@H](C)C(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000013544034 FI Annotated Clean Cc1ccc(O[C@@H](C)C(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000013544036 FI Annotated Clean CCS(=O)(=O)c1ccc(/N=N\c2ccc(O)c3ncccc23)c(OC)c1 ZINC000013544839 FI Annotated Clean CCS(=O)(=O)c1ccc(OC)c(/N=N/c2ccc(O)c3ncccc23)c1 ZINC000013544841 FI Annotated Clean C=CCONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000013553622 FI Annotated Mild CN1C(=O)c2cc3ccccc3n2C(=O)[C@@H]1SSCc1ccccc1 ZINC000013553909 FI Annotated Reactive Cc1ccc(-n2nc(C)c(/C=N/c3ccc(Br)cn3)c2O)cc1 ZINC000013555096 FI Annotated Mild Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O ZINC000013556549 FI Annotated Anodyne O=C1CS[C@@H](C(=O)Nc2ccc(Cl)cc2)c2cc3c(cc21)CCC3 ZINC000013556709 FI Annotated Anodyne N#Cc1c(Oc2ccccc2)sc(C(=O)c2ccc([N+](=O)[O-])cc2)c1N ZINC000013556995 FI Annotated Mild CCCC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(Oc2ccccc2)c1 ZINC000013558162 FI Annotated Anodyne CC(C)(C)c1cc(/C=C2\CCCNS2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558289 FI Annotated Anodyne Oc1ccc([C@H]2N=CN[C@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 ZINC000013558455 FI Annotated Anodyne CO/N=C1/C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2ccccc21 ZINC000013559452 FI Annotated Mild Cc1cc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2cc1Br ZINC000013559468 FI Annotated Anodyne Nc1cccc(-c2ccc(OC[C@@H]3CC4CCN3CC4)c3ccccc23)n1 ZINC000013559829 FI Annotated Anodyne Nc1cccc(-c2ccc(OC[C@H]3CC4CCN3CC4)c3ccccc23)n1 ZINC000013559830 FI Annotated Anodyne Nc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1N ZINC000013560564 FI Annotated Anodyne O=C1CCCC2=Nc3ccc4ncccc4c3[C@H](c3ccc(O)c(O)c3)[C@H]12 ZINC000013571351 FI Annotated Clean O=C1CCCC2=Nc3ccc4ncccc4c3[C@@H](c3ccc(O)c(O)c3)[C@@H]12 ZINC000013571353 FI Annotated Clean CC/C(=N/CCc1ccc(OC)c(OC)c1)C1=C(O)CC(C)(C)CC1=O ZINC000013571467 FI Annotated Mild CC1(C)CC(=O)C(/C=N/c2cc(C(=O)c3ccccc3)ccc2N)=C(O)C1 ZINC000013572078 FI Annotated Mild Oc1cc(Cl)ccc1NC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000013579707 FI Annotated Anodyne Oc1cc(Cl)ccc1NC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000013579709 FI Annotated Anodyne COc1ccccc1SC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000013579711 FI Annotated Anodyne COc1ccccc1SC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000013579713 FI Annotated Anodyne Cn1c2ccccc2c2nnc(N)c(-c3cccc(Br)c3)c21 ZINC000013580560 FI Annotated Anodyne COc1ccc(Oc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 ZINC000013580941 FI Annotated Anodyne Oc1nc(CCCN2CCC3=C(CCc4ccccc43)C2)nc2ccccc12 ZINC000013581569 FI Annotated Anodyne N#C/C(=C1\OC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 ZINC000013584334 FI Annotated Reactive Cc1noc(CSC[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013584890 FI Annotated Anodyne CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 ZINC000013585099 FI Annotated Anodyne CCc1nc2c(c(CC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585125 FI Annotated Anodyne C=Cc1nc2c(c(CC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585126 FI Annotated Anodyne COC(=O)c1[nH]c2ccccc2c1Sc1cc(OC)c(OC)c(OC)c1 ZINC000013585516 FI Annotated Anodyne CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Cl)cc(Cl)c1 ZINC000013586141 FI Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Cl)cc(Cl)c1 ZINC000013586142 FI Annotated Reactive O=C(Nc1cccc(Br)c1)n1nc(O)c2ccc(Cl)cc21 ZINC000013586818 FI Annotated Anodyne Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCC1CCCCC1 ZINC000013587417 FI Annotated Anodyne Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccco3)nc2C)c(C)c1 ZINC000013587428 FI Annotated Anodyne C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(C(N)=O)c1 ZINC000013587989 FI Annotated Anodyne O=C(O)c1cc(F)ccc1/N=C/c1nc(-c2ccc(Cl)cc2)oc1O ZINC000013588212 FI Annotated Mild Cc1c(S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O ZINC000013589025 FI Annotated Anodyne Oc1ccc(OC(F)(F)F)cc1/C=N/N=C(\S)Cc1ccccc1 ZINC000013589612 FI Annotated Mild Cn1nc(-c2ccc(N=[N+]=[N-])cc2)nc1-c1cccc(CN2CC=CC2)c1 ZINC000013589618 FI Annotated Mild COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)c(C)c1C ZINC000013593531 FI Annotated Anodyne COc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)c(C)c1C ZINC000013593534 FI Annotated Anodyne OCC1(C[C@@H]2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000013593592 FI Annotated Anodyne OCC1(C[C@H]2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000013593595 FI Annotated Anodyne CCOc1ccccc1-c1nc(CN(Cc2cnn(C)c2)C(C)C)c(C)o1 ZINC000013593915 FI Annotated Anodyne CN(Cc1ccno1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000013593975 FI Annotated Anodyne CC(C)c1csc(CN2CCC(CO)(Cc3cccc(F)c3)CC2)n1 ZINC000013594059 FI Annotated Anodyne CCOc1cc([C@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O ZINC000013597166 FI Annotated Anodyne CCOc1cc([C@@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O ZINC000013597169 FI Annotated Anodyne COc1cc2nc(=S)n(Cc3ccccc3Cl)c(N)c2cc1OC ZINC000013598835 FI Annotated Anodyne CN(C)Cc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 ZINC000013601072 FI Annotated Clean CSc1c(Cc2c(O)noc2C2CCNCC2)ccc2ccccc12 ZINC000013607815 FI Annotated Anodyne c1ccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)nc1 ZINC000013610215 FI Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1 ZINC000013634871 FI Annotated Anodyne Cc1noc(C)c1CN(C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000013636194 FI Annotated Anodyne Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000013636197 FI Annotated Anodyne Cc1cc(CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)on1 ZINC000013636952 FI Annotated Anodyne CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000013637115 FI Annotated Anodyne CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000013637118 FI Annotated Anodyne CCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641946 FI Annotated Anodyne CCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641949 FI Annotated Anodyne CCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641958 FI Annotated Anodyne CCCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641961 FI Annotated Anodyne CC/C=C/CO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013642004 FI Annotated Anodyne CC/C=C/CO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013642007 FI Annotated Anodyne CC/C=C\CO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013642016 FI Annotated Anodyne CC/C=C\CO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013642019 FI Annotated Anodyne N#C/C(=C1/Nc2ccccc2S1)c1cc(Br)nc(Cl)n1 ZINC000013647665 FI Annotated Reactive Clc1nc2n(c1Cl)N=C(c1ccccc1)c1cc3c(cc1C2)OCO3 ZINC000013647804 FI Annotated Anodyne Cc1nc2n(c1C)N=C(c1ccc(Cl)cc1)c1cc3c(cc1C2)OCO3 ZINC000013647810 FI Annotated Anodyne CCCN(CCC)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651084 FI Annotated Anodyne CCCN(CCC)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651085 FI Annotated Anodyne CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651094 FI Annotated Anodyne CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651095 FI Annotated Anodyne CC(C)Cc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651102 FI Annotated Anodyne CC(C)Cc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651103 FI Annotated Anodyne O=C1O[C@@H](Cn2cnc3ccccc32)CC1(c1ccccc1)c1ccccc1 ZINC000013651136 FI Annotated Anodyne O=C1O[C@H](Cn2cnc3ccccc32)CC1(c1ccccc1)c1ccccc1 ZINC000013651137 FI Annotated Anodyne CCc1nc(C)cn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651140 FI Annotated Anodyne CCc1nc(C)cn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651141 FI Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1NC1CCCCC1 ZINC000013651712 FI Annotated Clean COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccc(F)cc1 ZINC000013651714 FI Annotated Anodyne Cc1ccc(C(=O)O[C@H]2[C@H](C)Nc3ccccc3[C@@H]2N2CCCC2)cc1 ZINC000013652394 FI Annotated Anodyne CCC(CC)N1CCn2c(=O)n(-c3ccc(Cl)cc3)c3nc(C)cc1c32 ZINC000013652932 FI Annotated Anodyne COc1ccc([C@@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 ZINC000013661711 FI Annotated Anodyne COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 ZINC000013661714 FI Annotated Anodyne COc1ccc([C@@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 ZINC000013661717 FI Annotated Anodyne COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)ccc32)cc1 ZINC000013661720 FI Annotated Anodyne CCCN1CCC(=O)N([C@H](CSc2ccc(C)cc2)CC(C)C)CC1 ZINC000013661744 FI Annotated Anodyne FC(F)(F)c1ccc(-c2noc(-c3occc3Br)n2)nc1 ZINC000013671443 FI Annotated Anodyne O=C(O)C1(c2ccc(-c3ccc(OC4CCOCC4)cc3)c(F)c2)CC1 ZINC000013672571 FI Annotated Anodyne CC(=O)Nc1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1 ZINC000013675622 FI Annotated Bother CCc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12 ZINC000013680017 FI Annotated Anodyne CCCCCC(=O)N1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000013680113 FI Annotated Anodyne CCCCCC(=O)N1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000013680115 FI Annotated Anodyne CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1C(C)C ZINC000013684229 FI Annotated Anodyne COC1(c2cc(F)cc(OCc3ncc4ccccc4n3)c2)CCOCC1 ZINC000013725454 FI Annotated Anodyne C/C(=C1/SC(NC#N)=NC1=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013734211 FI Annotated Clean CN(c1ccccc1)c1cc2c(cc1N(C)c1ccccc1)C(=O)NC2=O ZINC000013735568 FI Annotated Anodyne COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br ZINC000013737384 FI Annotated Anodyne CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000013737817 FI Annotated Anodyne CCCN1CCC[C@@H](c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)C1 ZINC000013738260 FI Annotated Anodyne CCCCc1cc2cc([C@@H](C)N(O)C(=O)CCCC(=O)OC)ccc2o1 ZINC000013738968 FI Annotated Anodyne CCCCc1cc2cc([C@H](C)N(O)C(=O)CCCC(=O)OC)ccc2o1 ZINC000013738969 FI Annotated Anodyne C=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 ZINC000013740216 FI Annotated Mild CN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc13)C(N)=N2 ZINC000013741451 FI Annotated Anodyne CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OCCC(C)C)cc12 ZINC000013741857 FI Annotated Mild CN(C)CCSc1nc2ccccc2c2c1CCOc1ccccc1-2 ZINC000013742143 FI Annotated Anodyne CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C ZINC000013742262 FI Annotated Anodyne Cc1ccccc1Nc1c(C(=O)C(C)C)cnc2c(OCCO)cccc12 ZINC000013742263 FI Annotated Anodyne CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccc(F)c(F)c1)CCC2 ZINC000013743309 FI Annotated Anodyne CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(F)c(F)c1)CCC2 ZINC000013743310 FI Annotated Anodyne COc1cccc(CCN[C@@H]2CCCc3c2ccc(=O)n3CC=C(C)C)c1 ZINC000013743311 FI Annotated Anodyne COc1cccc(CCN[C@H]2CCCc3c2ccc(=O)n3CC=C(C)C)c1 ZINC000013743312 FI Annotated Anodyne COc1ccc2c(c1)C(=O)c1cc(-c3cccc(C(F)(F)F)c3)nnc1-2 ZINC000013743563 FI Annotated Clean C/C(=N\O)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 ZINC000013743627 FI Annotated Mild CCC(=O)Nc1ccc(OCCCNC(C)C)c(Cc2ccccc2)c1 ZINC000013743791 FI Annotated Anodyne CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(Cl)c3)[C@H]1C2 ZINC000013744403 FI Annotated Mild CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(Cl)c3)[C@@H]1C2 ZINC000013744405 FI Annotated Mild C=C1C[C@H](CO)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O ZINC000013755710 FI Annotated Mild C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@H]1O ZINC000013755724 FI Annotated Mild C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@@]1(C)O ZINC000013755725 FI Annotated Mild O=C(N1CCCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 ZINC000013758881 FI Annotated Anodyne Cc1ccc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)cc1 ZINC000013758883 FI Annotated Anodyne O=C(N1CCCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21 ZINC000013758903 FI Annotated Anodyne CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccc(F)cc3)c2C1(C)C ZINC000013758912 FI Annotated Anodyne COc1cccc2c1[C@H](CN(C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000013761395 FI Annotated Anodyne COc1cccc2c1[C@@H](CN(C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000013761396 FI Annotated Anodyne CCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)OCO2 ZINC000013761402 FI Annotated Anodyne CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CC[C@H]2CCOc3cccc1c32 ZINC000013761411 FI Annotated Anodyne CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CC[C@@H]2CCOc3cccc1c32 ZINC000013761412 FI Annotated Anodyne COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ocnc2c1 ZINC000013761439 FI Annotated Anodyne COc1ccc(CCCCNCCOc2cccc3c2OCCC3)cc1 ZINC000013761775 FI Annotated Anodyne COc1ccc(CCCCNCCOc2cc(C)cc3c2OCCC3)cc1 ZINC000013761776 FI Annotated Anodyne COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3)cc1 ZINC000013761777 FI Annotated Anodyne COc1ccc(CCCCNCCOc2ccc(F)c3c2OCCC3)cc1 ZINC000013761781 FI Annotated Anodyne COc1ccc(CCCCNCCOc2c(F)ccc3c2OCCC3)cc1 ZINC000013761782 FI Annotated Anodyne Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3CN[C@H]1CC2 ZINC000013762014 FI Annotated Clean O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 ZINC000013766444 FI Annotated Anodyne O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 ZINC000013766446 FI Annotated Anodyne O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@H]1SCCc1ccccc1 ZINC000013766501 FI Annotated Anodyne O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCCc1ccccc1 ZINC000013766503 FI Annotated Anodyne Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cscn1 ZINC000013775816 FI Annotated Anodyne C[C@@H](Nc1ncnc2c1nnn2Cc1ccccc1Cl)c1ccccc1 ZINC000013778548 FI Annotated Anodyne C[C@H](Nc1ncnc2c1nnn2Cc1ccccc1Cl)c1ccccc1 ZINC000013778550 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@@H](C)CC[C@@H]12 ZINC000013780200 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@H](C)CC[C@@H]12 ZINC000013780202 FI Annotated Anodyne CCN1c2ncc(/C=C\c3ccccc3)cc2C(=O)N(C)c2cccnc21 ZINC000013780550 FI Annotated Anodyne I/C=C/CN1CCC[C@@H]2c3ccccc3CC[C@H]21 ZINC000013781525 FI Annotated Anodyne OC[C@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 ZINC000013783045 FI Annotated Anodyne OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 ZINC000013783046 FI Annotated Anodyne CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]21C ZINC000013783477 FI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000013783778 FI Annotated Anodyne CC(C)n1cc2c3c(cccc31)C1=C[C@@H](COC(=O)C3CC3)CN(C)[C@@H]1C2 ZINC000013793926 FI Annotated Anodyne CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](COC(=O)C3CC3)CN(C)[C@@H]1C2 ZINC000013793956 FI Annotated Anodyne CN1CC(COC(=O)C2CCCCC2)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 ZINC000013793995 FI Annotated Anodyne COc1cc(Br)c(-n2ccc3c(C)cc(C)nc32)c(OC)c1 ZINC000013794634 FI Annotated Anodyne Cc1cc(C)c(-n2c(C)c(C)c3c(N4CCOCC4)nc(C)nc32)c(C)c1 ZINC000013795084 FI Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccccc3)ccc2O1 ZINC000013795365 FI Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3cccs3)ccc2O1 ZINC000013795371 FI Annotated Anodyne Cc1ccccc1C(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 ZINC000013795385 FI Annotated Anodyne Cc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)C[C@H]2C)c1 ZINC000013795463 FI Annotated Anodyne CCSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1 ZINC000013796353 FI Annotated Anodyne Cc1ccc([C@@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 ZINC000013804578 FI Annotated Anodyne Cc1ccc([C@@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 ZINC000013804581 FI Annotated Anodyne O=C1CCC[C@@H]2C[C@@H](NCc3ccc(Cl)c(Cl)c3)C[C@@H]3CCN1[C@@H]32 ZINC000013813314 FI Annotated Anodyne O=C1CCC[C@@H]2C[C@H](NCc3ccc(Cl)c(Cl)c3)C[C@@H]3CCN1[C@@H]32 ZINC000013813317 FI Annotated Anodyne COc1ccccc1[C@H]1C(c2cccc(C)c2)=NN(c2ccccc2)[C@@H]1CO ZINC000013813593 FI Annotated Anodyne aggregator COc1ccccc1[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1CO ZINC000013813769 FI Annotated Anodyne aggregator COc1cc([C@@H]2CC(=O)Oc3cc(C)c(Cl)cc32)cc(OC)c1OC ZINC000013813811 FI Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3cc(C)c(Cl)cc32)cc(OC)c1OC ZINC000013813815 FI Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)(C)C)cc32)cc(OC)c1OC ZINC000013814671 FI Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3ccc(C(C)(C)C)cc32)cc(OC)c1OC ZINC000013814674 FI Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)C1CCCCC1)CC2 ZINC000013817595 FI Annotated Anodyne O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21 ZINC000013817928 FI Annotated Anodyne CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 ZINC000013818070 FI Annotated Anodyne C=CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 ZINC000013818073 FI Annotated Mild CCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 ZINC000013818076 FI Annotated Anodyne CN(C)[C@H](COc1cnc(Cl)c(Br)c1)Cc1ccccc1 ZINC000013819650 FI Annotated Anodyne Cc1cc(/C=C/c2cc(Br)c(O)c(Br)c2)on1 ZINC000013820005 FI Annotated Anodyne CCN(CC)CC#CCC[C@](O)(c1ccccc1)C1SCCCS1 ZINC000013821805 FI Annotated Mild CCN(CC)CC#CCC[C@@](O)(c1ccccc1)C1SCCCS1 ZINC000013821807 FI Annotated Mild N#Cc1ccc(/C(=N\c2ccc(Br)cc2)n2ccnc2)cc1 ZINC000013827135 FI Annotated Mild COC(=O)C[C@@H]1Oc2ccccc2-n2cc(-c3ccc(Cl)cc3)nc21 ZINC000013828440 FI Annotated Anodyne COC(=O)C[C@H]1Oc2ccccc2-n2cc(-c3ccc(Cl)cc3)nc21 ZINC000013828442 FI Annotated Anodyne C/C=C1\CO[C@@](C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C ZINC000013828916 FI Annotated Anodyne C/C=C1\CO[C@](C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C ZINC000013828918 FI Annotated Anodyne CCC/C=C1/CCCO[C@@](C(=O)NCc2ccc(C)o2)(C(F)(F)F)C1 ZINC000013828975 FI Annotated Anodyne CCC/C=C1/CCCO[C@](C(=O)NCc2ccc(C)o2)(C(F)(F)F)C1 ZINC000013828977 FI Annotated Anodyne O=C(NCC1CC1)[C@]1(C(F)(F)F)C[C@@H](CCc2ccccc2)CCCO1 ZINC000013829056 FI Annotated Anodyne O=C(NCC1CC1)[C@@]1(C(F)(F)F)C[C@@H](CCc2ccccc2)CCCO1 ZINC000013829058 FI Annotated Anodyne O=C(NCC1CC1)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 ZINC000013829060 FI Annotated Anodyne O=C(NCC1CC1)[C@@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 ZINC000013829061 FI Annotated Anodyne O=C(NCC1CC1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829088 FI Annotated Anodyne O=C(NCC1CC1)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829090 FI Annotated Anodyne CCCN1CCC(=O)N([C@@H](CSc2ccc(C)cc2)CC(C)C)CC1 ZINC000013830510 FI Annotated Anodyne CC(C)(C)n1ncc2c(=O)n(Cc3cccc(-c4cccs4)c3)cnc21 ZINC000013831298 FI Annotated Anodyne CC(C)(C)n1ncc2c(=O)n(Cc3cccc(-c4ccccc4)c3)cnc21 ZINC000013831310 FI Annotated Anodyne CO[C@@H]1c2ccc(Br)cc2C(n2ccccc2=O)=CC1(C)C ZINC000013832197 FI Annotated Anodyne CO[C@H]1c2ccc(Br)cc2C(n2ccccc2=O)=CC1(C)C ZINC000013832198 FI Annotated Anodyne CC(C)c1ccc(CNC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)cc1 ZINC000013833825 FI Annotated Anodyne O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000013834236 FI Annotated Anodyne CS(=O)(=O)Nn1c(-c2ccccc2)c2c(c1-c1ccccc1)CCCC2 ZINC000013835366 FI Annotated Anodyne CC1(C)C=C2C(=NN(c3cccc(Oc4ccccc4)c3)C(N)=C2C#N)CO1 ZINC000013838694 FI Annotated Reactive CC[C@@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 ZINC000013839756 FI Annotated Mild CC[C@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 ZINC000013839759 FI Annotated Mild Cc1c(C)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000013861025 FI Annotated Anodyne CC1=C(CCCCCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O ZINC000013861909 FI Annotated Mild CC1(C)CCC[C@@H]1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1 ZINC000013864692 FI Annotated Anodyne CC1(C)CCC[C@H]1CNC(=O)c1ccc(-c2nc(CC3CC3)no2)cc1 ZINC000013864693 FI Annotated Anodyne O=C1N(c2ccccc2)c2ccccc2[C@@]1(CCCCO)Cc1ccncc1 ZINC000013902889 FI Annotated Anodyne CSc1ccc(Cl)c(NC(=N)N(C)c2cccc([S@@](C)=O)c2)c1 ZINC000013915680 FI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CCC1=C[C@@H](OC)OC1=O ZINC000013919889 FI Annotated Mild in-vitro biogenic CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCCCc1ccccc1 ZINC000013978747 FI Annotated Mild O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccccc3)cc1n2C1CC1 ZINC000013980363 FI Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1 ZINC000013982267 FI Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@H](c1ccccc1)C3 ZINC000013983749 FI Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@@H](c1ccccc1)C3 ZINC000013983752 FI Annotated Anodyne C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12C=C(O)C(=O)O2 ZINC000135705096 FI Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000135709838 FI Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)O[C@H]2CC/C(C)=C\[C@H]2[C@@H]1[C@](C)(O)CC[C@@H]2C(C)C ZINC000135724244 FI Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](C/C(C)=C\c3cc(C(=O)OC)c(o3)C1)OC2=O ZINC000136097962 FI Annotated Mild C=C1CC[C@@H]2CCC3=C(C(=O)[C@H](C3=O)/C(C)=C\[C@@H](OC(C)=O)C1)C2(C)C ZINC000136174949 FI Annotated Mild CO/C1=C/C(=O)CCc2ccc(cc2)Oc2cc(cc(OC)c2OC)CC1 ZINC000136323829 FI Annotated Mild N#C[C@H](c1ccnc(NCc2ccccc2)n1)c1nc2ccccc2s1 ZINC000136340861 FI Annotated Mild N#C[C@@H](c1ccnc(NCc2ccccc2)n1)c1nc2ccccc2s1 ZINC000136340907 FI Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CC=C(C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(C)=O ZINC000136451677 FI Annotated Mild O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000136518711 FI Annotated Anodyne COC(=O)c1c[nH]n2c(NC3CCCCCC3)c(-c3ccc(F)cc3)nc12 ZINC000136566837 FI Annotated Anodyne C=C(C)[C@@H]1C[C@]23C(=O)C(C(=O)[C@H](C)CC)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000136573149 FI Annotated Mild C=C(C)[C@H]1C[C@]23C(=O)C(C(=O)[C@H](C)CC)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000136573324 FI Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@H]3O ZINC000136669453 FI Annotated Reactive C=C1[C@H]2CC[C@H]3[C@]4(C)C[C@@H](O)[C@H](C(C)=O)[C@@]4(C)CC[C@@]34C[C@]24CC[C@H]1NC ZINC000136722702 FI Annotated Mild C=C1[C@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000136722752 FI Annotated Mild CCCCCCCCCCCCCCSCC(=O)OC[C@@H](O)CO ZINC000136787820 FI Annotated Mild COc1ccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000136811439 FI Annotated Anodyne O=c1c(-c2ccsc2)cnc2c(-c3cccc(C(F)(F)F)c3)c[nH]n12 ZINC000136815001 FI Annotated Anodyne N#C[C@H]1C[C@@H](c2coc3ccc(Cl)cc3c2=O)N(c2ccccc2)O1 ZINC000136826502 FI Annotated Mild CCO[C@H]1C[C@@H](c2coc3ccc(C)cc3c2=O)N(c2ccccc2)O1 ZINC000136826747 FI Annotated Anodyne Fc1ccc([C@@H]2OO[C@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000136902791 FI Annotated Reactive Fc1ccc([C@H]2OO[C@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000136902842 FI Annotated Reactive CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3N[C@H]2c2cccc(O)c2O)C1 ZINC000136915119 FI Annotated Clean CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N[C@H]2c2cccc(O)c2O)C1 ZINC000136915171 FI Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)CC[C@@]3(C)C(=CC2=C1C=O)C(=O)C[C@@H]3C(C)C ZINC000136942729 FI Annotated Reactive CCS[C@H](C)CC1CC(=O)C(/C(CC)=N/OC/C=C/Cl)C(=O)C1 ZINC000136999460 FI Annotated Mild CCS[C@@H](C)CC1CC(=O)C(/C(CC)=N/OC/C=C/Cl)C(=O)C1 ZINC000136999499 FI Annotated Mild O=c1c(-c2ccsc2)cnc2c(-c3cccc(Br)c3)c[nH]n12 ZINC000137105037 FI Annotated Anodyne O=c1[nH]c2ccc(/C=C3\c4ccccc4COc4cc(F)ccc43)cc2[nH]1 ZINC000137107938 FI Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@]12C[C@@]43C ZINC000137122282 FI Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCCCC3)[C@@H]2CC1 ZINC000137385801 FI Annotated Anodyne C=C1CCC[C@H]2[C@@]1(C)CC[C@]1(C)CC3=C(O[C@]21C)C(=O)C=C(OC)C3=O ZINC000137512397 FI Annotated Mild CC(C)=CCc1c(O)cc2c(c1C)OC(=O)c1c(C)cc(O)c(CO)c1O2 ZINC000137806713 FI Annotated Anodyne O=c1c2cnc3c(OCc4ccccc4)cccc3c2[nH]n1-c1ccccc1 ZINC000137821352 FI Annotated Anodyne CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3cccc(Cl)c3)[C@@H]1C2 ZINC000137888821 FI Annotated Mild C=C1CC[C@@H]2OC3=C(C[C@]4(C)[C@@H](C)CC[C@@]1(C)[C@@H]24)C(=O)C(OC)=CC3=O ZINC000137893228 FI Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@@]1(C)OC3=C(C[C@@]21C)C(=O)C(OC)=CC3=O ZINC000137893326 FI Annotated Mild C=C1CCC[C@H]2[C@]3(C)CC4=C(O[C@]3(C)CC[C@@]12C)C(=O)C=C(OC)C4=O ZINC000137893434 FI Annotated Mild CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@H](C)CCC=C(C)C ZINC000137916660 FI Annotated Anodyne O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 ZINC000138023561 FI Annotated Mild Cc1cc2c(cc1C)[n+](=O)c(C(=O)/C=C/c1ccc(Cl)cc1)c(C)n2O ZINC000138193567 FI Annotated Anodyne Cc1n[nH]c(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000138228416 FI Annotated Anodyne Cc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3)ccc12 ZINC000138255254 FI Annotated Anodyne Cc1noc(C)c1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 ZINC000138255365 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 ZINC000138354489 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@H](c4c3ccc3ccccc43)[C@@H]2C(=O)N1c1ccccc1 ZINC000138354593 FI Annotated Anodyne N=c1ccn(CCCCCn2ccc(=N)c3ccccc32)c2ccccc12 ZINC000138571401 FI Annotated Anodyne C[C@]1(c2cccs2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138766236 FI Annotated Anodyne C[C@@]1(c2cccs2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138766315 FI Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/c3cc(C(=O)OC)c(o3)C1)OC2=O ZINC000138788202 FI Annotated Mild CC(=O)O[C@H]1/C=C(C(C)C)\C=C\[C@@](C)(O)CC/C=C(/C)CC[C@@H]2O[C@@]12C ZINC000138788281 FI Annotated Anodyne COc1cc2nc3occc3c(OC)c2c(/C=C/C(C)(C)OO)c1OC ZINC000138815911 FI Annotated Reactive N#Cc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)c1 ZINC000138893185 FI Annotated Mild N#C[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000138952946 FI Annotated Mild N#C[C@@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000138953070 FI Annotated Mild O=C1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 ZINC000138985328 FI Annotated Anodyne Cc1cc2c(cc1C)N=C(N1CCN(C)CC1)CC(c1ccc(F)cc1)=N2 ZINC000139032211 FI Annotated Anodyne C=C([C@@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C)[C@H](O)CC ZINC000139042145 FI Annotated Mild C/C(=C\CCC1=CCOC1=O)C/C=C/[C@@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 ZINC000139048564 FI Annotated Anodyne COC(=O)C/C=C1/CC2=CC[C@]3(C)C(=O)CC[C@@]3(C)[C@@H]2CC[C@H]1C(C)(C)O ZINC000139074987 FI Annotated Anodyne COC1=CC(=O)C2=C(C[C@@]3(O2)C(C)=CC[C@@H]2C(C)(C)CCC[C@]23C)C1=O ZINC000139105752 FI Annotated Mild COC1=CC(=O)C2=C(C[C@]3(O2)C(C)=CC[C@@H]2C(C)(C)CCC[C@]23C)C1=O ZINC000139105975 FI Annotated Mild CN1CCC/C1=N\C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000139148171 FI Annotated Mild c1ccc(CNc2nccnc2Oc2ccc(Nc3ccccn3)cc2)nc1 ZINC000139164211 FI Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3NCc3ccncc3)cc2)nc1 ZINC000139164334 FI Annotated Anodyne CC1(C)CC(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)=CCO1 ZINC000139327306 FI Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000139328532 FI Annotated Mild O[C@@H]1CCC[C@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000139349519 FI Annotated Anodyne O[C@H]1CCC[C@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000139349650 FI Annotated Anodyne O[C@@H]1CCC[C@@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000139349772 FI Annotated Anodyne COc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 ZINC000139349814 FI Annotated Anodyne O[C@H]1CCC[C@@H](c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000139349885 FI Annotated Anodyne O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CCCC1 ZINC000139379294 FI Annotated Anodyne CCN1CCc2sc(-c3cnc4[nH]c5cnc(C#N)cc5c4c3)cc2C1 ZINC000139452446 FI Annotated Anodyne N#Cc1cc2c(cn1)[nH]c1ncc(-c3nc(CN4CCCCC4)cs3)cc12 ZINC000139452716 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 ZINC000139553925 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 ZINC000139554437 FI Annotated Anodyne O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 ZINC000139646388 FI Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](Br)C[C@@]43C)[C@@H]1CCC2=O ZINC000139685327 FI Annotated Anodyne CC#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139772337 FI Annotated Mild C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)O ZINC000139774145 FI Annotated Mild Oc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 ZINC000139791814 FI Annotated Anodyne COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 ZINC000139806738 FI Annotated Anodyne Clc1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1 ZINC000139827405 FI Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C)C3CCCCC3)[C@@H]2CC1 ZINC000139871900 FI Annotated Anodyne CCCCCCCc1nc(-c2nc(C(=O)O)cc(OC)c2OC)cs1 ZINC000014114052 FI Annotated Mild CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@@]13OO2 ZINC000014293585 FI Annotated Reactive COc1ccc(F)cc1CO/N=C/c1cc(Cl)c(OC)c(OC)c1 ZINC000014340908 FI Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C)[C@H](C(=C)C)[C@H]2C=C(C[C@@H]1OC(C)=O)C(=O)O2 ZINC000014412477 FI Annotated Mild CCOC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12 ZINC000014440775 FI Annotated Bother COc1cc(OC)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2 ZINC000014444098 FI Annotated Anodyne COc1ccc2c(c1)CCc1c(Cc3ccc(O)cc3)c(O)cc(OC)c1-2 ZINC000014444100 FI Annotated Anodyne in-vitro biogenic C=CC/C=C/C/C=C/CCCCCCCC(=O)[C@]1(O)OC(=O)C=C1OC ZINC000014488396 FI Annotated Mild in-man endogenous CC(C)=CCCc1c(O)c2c(c(O)c1Cl)C(=O)c1ccccc1C2=O ZINC000014491143 FI Annotated Clean in-vitro biogenic CO[C@@H]1C=C(CC[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C(=O)O)CC[C@H]2C)C(=O)O1 ZINC000140091743 FI Annotated Anodyne Clc1ccccc1-c1nccnc1C1CN(c2ncc3ccccc3n2)C1 ZINC000140114659 FI Annotated Anodyne Oc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 ZINC000140122829 FI Annotated Anodyne Fc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140129081 FI Annotated Anodyne Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 ZINC000140129713 FI Annotated Anodyne C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](OCC)OC1=O ZINC000140132314 FI Annotated Mild Oc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140135310 FI Annotated Anodyne Clc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1 ZINC000140142925 FI Annotated Anodyne Nc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F ZINC000140179510 FI Annotated Anodyne N#Cc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140184731 FI Annotated Anodyne N#Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 ZINC000140186785 FI Annotated Anodyne COc1cccc(-c2nccnc2C2CN(c3nc4ccccc4s3)C2)c1 ZINC000140187272 FI Annotated Anodyne Fc1ccccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 ZINC000140198475 FI Annotated Anodyne Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cnc1F ZINC000140214627 FI Annotated Anodyne COc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140214806 FI Annotated Anodyne COC(=O)[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000140239795 FI Annotated Anodyne C/C=C(/CC)C[C@H](CC)C(=O)/N=C(\N)NC(=O)[C@H](CC)C/C(=C\C)CC ZINC000140247115 FI Annotated Mild C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2 ZINC000140271376 FI Annotated Mild CC/C1=C/C=C/[C@H](O)C/C=C\CC#CCCCCc2cc(=O)cc(o2)O1 ZINC000140404150 FI Annotated Mild CC(=O)OC[C@H]1/C(C=O)=C/C/C=C(\C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C ZINC000140436249 FI Annotated Reactive CC(=O)O[C@H]1OC(=O)[C@@H](CCC=C(C)C)[C@H]2CC/C(C)=C/C/C=C(/C=O)[C@H]12 ZINC000140489130 FI Annotated Reactive C=C(C)/C=C/C[C@@H]1C(=O)O[C@H](OC(C)=O)[C@H]2/C(C=O)=C\C/C=C(\C)CC[C@H]12 ZINC000140489844 FI Annotated Reactive COc1cc2c(cc1OC)[C@@H](C(=O)c1ccc3occc3c1OC)CCO2 ZINC000140522695 FI Annotated Anodyne CC(=O)O[C@H]1C/C=C(/C)C(=O)C[C@@H]2[C@@](C)(C/C=C/1C)CC[C@@]2(O)C(C)C ZINC000140619324 FI Annotated Mild CC(=O)O[C@H]1C/C=C(\C)C(=O)C[C@@H]2[C@@](C)(C/C=C/1C)CC[C@@]2(O)C(C)C ZINC000140619508 FI Annotated Mild CC(C)(O)/C=C/C[C@@](C)(O)[C@@H]1CC[C@@](C)(Br)[C@H](Cl)C1 ZINC000140622641 FI Annotated Reactive CO[C@H]1O[C@@H](OC)C2=C1[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@@H](C)[C@@H]1C[C@H]21 ZINC000140723999 FI Annotated Anodyne CO[C@H]1O[C@H](OC)C2=C1[C@H]1C[C@H]1[C@H](C)C[C@@H](O)[C@H]2[C@H](C)CCC=C(C)C ZINC000140724384 FI Annotated Anodyne N#Cc1cc(NC(O)=C2N=NN=N2)c(Cl)c(NC(O)=C2N=NN=N2)c1 ZINC000140909378 FI Annotated Anodyne CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1 ZINC000140954937 FI Annotated Anodyne C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C\[C@@H](OC(C)=O)C1)NC3=O)C2(C)C ZINC000141282998 FI Annotated Mild CC[C@H](C)COc1ccc([C@H](CN)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1 ZINC000141415506 FI Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\c3cc(C(=O)OC)c(o3)C1)OC2=O ZINC000141439493 FI Annotated Mild C=C1CC[C@@H]2CCC(C(=O)OCC)=C(C(=O)C/C(C)=C/[C@@H](O)C1)C2(C)C ZINC000141457954 FI Annotated Mild O=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(F)(F)F ZINC000141514786 FI Annotated Anodyne CC(C)C[C@@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000141596889 FI Annotated Anodyne CC(C)C[C@@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC1CCC(C)CC1 ZINC000141603866 FI Annotated Anodyne CC(C)C[C@@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000141604255 FI Annotated Anodyne CC(C)C[C@@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC1CCC(C)CC1 ZINC000141605823 FI Annotated Anodyne O=c1c2cnc3cccc(OCc4ccccc4)c3c2[nH]n1-c1ccccc1 ZINC000141796280 FI Annotated Anodyne O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2cccc(Cl)c2)CC1 ZINC000141817681 FI Annotated Anodyne CCCc1c(-c2cccc(OC)c2)[nH]c2c(OC)ccc(OC)c2c1=O ZINC000141822560 FI Annotated Anodyne CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000141825557 FI Annotated Anodyne CC[C@@]12C[C@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000141825986 FI Annotated Anodyne CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C=Cc1cc(O)ccc12 ZINC000141896288 FI Annotated Anodyne Cc1nc(NCCCC(C)(C)CO)cc(-c2ccc3ncsc3c2)n1 ZINC000141917690 FI Annotated Anodyne COc1cc2c(C)nc(O)c(Cc3ccnc4ccccc34)c2cc1OC ZINC000141922567 FI Annotated Anodyne Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3nonc3c2)n1 ZINC000141966130 FI Annotated Anodyne CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@@]2(C)[C@H]1O ZINC000142031840 FI Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)OC(C)C)cn1 ZINC000142063433 FI Annotated Anodyne CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CCCC3 ZINC000142093849 FI Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1ccccc1 ZINC000142096853 FI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(NCC23CC4CC(CC(C4)C2)C3)n1 ZINC000142145590 FI Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1Cl ZINC000142148215 FI Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)OC)[C@]2(C)CCc1ccoc1 ZINC000142184079 FI Annotated Anodyne Cc1ccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)cc1 ZINC000142310914 FI Annotated Anodyne Cn1c2c(c(=O)n1-c1ccccc1C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000142431365 FI Annotated Anodyne O=C1Nc2cccc(c2)CNc2nc(ncc2Cl)Nc2cccc1c2 ZINC000142436642 FI Annotated Anodyne Clc1cnc2nc1NCCc1cccc(c1)OCc1cccc(c1)N2 ZINC000142437269 FI Annotated Anodyne Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ncccc2F)s1 ZINC000142587490 FI Annotated Anodyne Cc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1 ZINC000142652253 FI Annotated Anodyne Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccncc2F)s1 ZINC000142669398 FI Annotated Anodyne Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)cc1 ZINC000142669503 FI Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(NC(=O)C(C)C)cn1 ZINC000142696789 FI Annotated Anodyne Cc1nc(NCCc2ccc(O)cc2)cc(-c2ccc3ncsc3c2)n1 ZINC000142789095 FI Annotated Anodyne O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CC=CC1 ZINC000142861727 FI Annotated Anodyne Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000142926031 FI Annotated Anodyne Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000142926249 FI Annotated Anodyne Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(C(N)=O)c2)n1 ZINC000143136251 FI Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1ccc(Cl)cc1OCCCC(F)(F)F ZINC000143159948 FI Annotated Anodyne C[C@@]1(c2cccc(Nc3cccc4cc(Cl)cnc34)c2)COCC(N)=N1 ZINC000143167102 FI Annotated Anodyne in-vitro O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(C2CC2)cc1 ZINC000143208818 FI Annotated Anodyne Cc1cc(O)n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 ZINC000143254555 FI Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)c1ccc2c3c(oc2c1)C[C@H]1CC[C@H]3N1 ZINC000143282206 FI Annotated Anodyne CCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2cccc(Cl)c2)n1 ZINC000143284732 FI Annotated Anodyne CCc1nc(Nc2ccc(C(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 ZINC000143392029 FI Annotated Anodyne C[C@@H]1CNCc2c1oc1c(Cl)cc(S(=O)(=O)c3ccccc3)cc21 ZINC000143409594 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 ZINC000143409728 FI Annotated Anodyne C[C@H]1CNCc2c1oc1c(Cl)cc(S(=O)(=O)c3ccccc3)cc21 ZINC000143409807 FI Annotated Anodyne C[C@@H]1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 ZINC000143427271 FI Annotated Anodyne C[C@H]1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 ZINC000143427493 FI Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)C(C)C)cn1 ZINC000143465751 FI Annotated Anodyne CC(=O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000143506181 FI Annotated Anodyne CC(=O)c1cc(-c2cnn(C)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000143506408 FI Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)c1ccc2oc3c(c2c1)CNCC3 ZINC000143525608 FI Annotated Anodyne CC(C)CNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 ZINC000143610278 FI Annotated Anodyne CC(C)CNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 ZINC000143610481 FI Annotated Anodyne C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CCC3)c2)c(F)c1 ZINC000143617816 FI Annotated Anodyne C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CCC3)c2)c(F)c1 ZINC000143618009 FI Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)c1ccc2oc3c(c2c1)[C@H]1CC[C@@H](C3)N1 ZINC000143633814 FI Annotated Anodyne CCc1nc(Nc2ccc(CC(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 ZINC000143667950 FI Annotated Anodyne COc1ccc2c(C)c(-c3cn4nc(SC)sc4n3)oc2c1OC ZINC000143847645 FI Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(F)cc1 ZINC000143913711 FI Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(F)cc1 ZINC000143913920 FI Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(F)cc1 ZINC000143914134 FI Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(F)cc1 ZINC000143914340 FI Annotated Anodyne CCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(Cl)cc1 ZINC000143965264 FI Annotated Anodyne CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@@H](C)c1ccc(Cl)cc1 ZINC000143965474 FI Annotated Anodyne CCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(Cl)cc1 ZINC000143965666 FI Annotated Anodyne CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@H](C)c1ccc(Cl)cc1 ZINC000143965868 FI Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@H](F)CC2)cc1)C(F)(F)F ZINC000144004695 FI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)c(OC)c3)CN3CCC[C@H]3C2)cc1 ZINC000144074546 FI Annotated Anodyne Clc1ccc(N[C@@H]2C[C@H](Oc3ncccc3C3CCOCC3)C2)nc1 ZINC000144306520 FI Annotated Anodyne COCCNC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1 ZINC000144307509 FI Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NS(=O)(=O)C3CC3)ncc2c1 ZINC000144336210 FI Annotated Anodyne O=C1N(c2cc(Cl)nc(C3CC3)c2)CCN1c1cnccc1C1CC1 ZINC000144349241 FI Annotated Anodyne O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc4c(c3)OCO4)nc2c1 ZINC000144369503 FI Annotated Anodyne O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CO)cc3)nc2c1 ZINC000144407726 FI Annotated Anodyne O=C(O)c1cccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)c1 ZINC000144419121 FI Annotated Anodyne O=C(O)c1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 ZINC000144447394 FI Annotated Anodyne COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC(=O)[C@@H]1O[C@@]12C ZINC000144502352 FI Annotated Anodyne CCOC(=O)CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 ZINC000144613226 FI Annotated Anodyne CN(C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 ZINC000144696481 FI Annotated Anodyne CN(C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 ZINC000144696702 FI Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)c(=O)[nH]c2cc(O)cc(O)c12 ZINC000144697818 FI Annotated Anodyne Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1Cl ZINC000144713684 FI Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@H](/C=C(/C)C(=O)/C=C/[C@]1(C)O)[C@]2(C)CCC=C(C)C ZINC000144717617 FI Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@H](/C=C(/C)C(=O)/C=C/[C@]1(C)O)[C@]2(C)CCC=C(C)C ZINC000144717843 FI Annotated Mild NC(=O)c1cccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)c1 ZINC000144728334 FI Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)c1 ZINC000144728543 FI Annotated Anodyne NC(=O)c1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144739621 FI Annotated Anodyne NC(=O)c1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144739820 FI Annotated Anodyne CO[C@@]1(C/C(C)=C/CC/C(C)=C/C(=O)OCc2ccoc2)C=C(C)C(=O)O1 ZINC000144755437 FI Annotated Anodyne COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@]1(C)C[C@](C)(Cl)C1 ZINC000144779872 FI Annotated Anodyne COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@]1(C)C[C@](C)(Cl)C1 ZINC000144780074 FI Annotated Anodyne OCCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144790442 FI Annotated Anodyne OCCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144790638 FI Annotated Anodyne OCCCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144791259 FI Annotated Anodyne OCCCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144791466 FI Annotated Anodyne CCCCN(C)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144795861 FI Annotated Anodyne CCCCN(C)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144796080 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144888723 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144888901 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144891419 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144891611 FI Annotated Anodyne COc1ncc(-c2cccnc2Oc2ccc(NC3=NCCC=C3)cc2)cn1 ZINC000144961399 FI Annotated Anodyne C=C(C)[C@@H]1C[C@@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@H](C)CC)=C3O ZINC000014514795 FI Annotated Mild C=C(C)[C@@H]1C[C@@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C3O ZINC000014514798 FI Annotated Mild CC1=C[C@@H](C/C(C)=C\COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000014516843 FI Annotated Anodyne in-man endogenous CC1=C[C@H](C/C(C)=C\COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000014516844 FI Annotated Anodyne in-man endogenous COc1cc(OC)c(-c2coc3cc4occc4cc3c2=O)cc1OC ZINC000014559606 FI Annotated Anodyne CC1(C)C=Cc2c(ccc3c(=O)c(-c4cc(O)c5c(c4)OCO5)coc23)O1 ZINC000014560115 FI Annotated Anodyne CC(=O)O[C@@H]1OC(=O)c2ccc([C@@]3(C)CCCC(C)(C)C3)c(C(C)=O)c21 ZINC000014584404 FI Annotated Anodyne C=C(C/C=C/C=C/Cl)C[C@H](OC(=O)[C@@H]1CCC(=O)N1C)C(C)(C)C ZINC000014585414 FI Annotated Mild C=C(C/C=C/C=C/Cl)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1C)C(C)(C)C ZINC000014585418 FI Annotated Mild O=Cc1c2[nH]c3ccccc3c2c(C(=O)C(=O)O)c2[nH]c3ccccc3c12 ZINC000014585609 FI Annotated Bother CCCc1cc(=O)oc2c3c(c(C(=O)C(C)C)c(O)c12)OC(C)(C)C=C3 ZINC000014586035 FI Annotated Anodyne in-man CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@@H](O)CC)cc(=O)oc12 ZINC000014586078 FI Annotated Anodyne CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](O)CC)cc(=O)oc12 ZINC000014586080 FI Annotated Anodyne in-vitro biogenic COc1c(OC)c(OC)c2c(ccc3ccccc32)c1CC[N+](C)(C)[O-] ZINC000014589415 FI Annotated Bother COc1c2c(c(C(=O)C=C(C)C)c3oc(C)cc(=O)c13)OC(C)(C)C=C2 ZINC000014590729 FI Annotated Mild Cc1c(Cl)cccc1NCc1cc(O)n2nc(-c3ccccc3)nc2n1 ZINC000014608990 FI Annotated Anodyne COc1cc(OC)c(CCC(C)(C)O)c2c1CC[C@@H](c1ccccc1)O2 ZINC000014614022 FI Annotated Anodyne COc1cc2cc3c4c(ccn3C)c(OC)c3c(c4c2cc1OC)OCO3 ZINC000014616201 FI Annotated Bother O=C1C[C@@H]2c3ccccc3O[C@@H]3c4cccc(O)c4-c4c(O)cc(O)c1c4[C@@H]23 ZINC000014617069 FI Annotated Anodyne in-vitro biogenic COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@@H]1C(C)(C)CCC[C@]21C=O ZINC000014620343 FI Annotated Mild C=C(C)[C@H](COc1c2ccoc2cc2oc(=O)ccc12)OC(=O)/C(C)=C\C ZINC000014635203 FI Annotated Mild COc1cccc(OC)c1-c1oc2c(ccc3occc32)c(=O)c1OC ZINC000014635254 FI Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)-c1oc3c(ccc4occc43)c(=O)c1OC2 ZINC000014635256 FI Annotated Anodyne in-vitro biogenic O=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21 ZINC000014636414 FI Annotated Mild COc1cc(C)c(CC[C@]2(C)C=Cc3cc(O)ccc3O2)c(C)c1CO ZINC000014636905 FI Annotated Anodyne COc1cc(C)c(CC[C@](C)(O)/C=C/c2cc(O)ccc2O)c(C)c1C ZINC000014636911 FI Annotated Anodyne COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)[C@H](C)C2 ZINC000014641057 FI Annotated Anodyne COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)[C@@H](C)C2 ZINC000014641060 FI Annotated Anodyne Cc1c(C(=O)CCC(C)C)cc2c(c1O)C(=O)C(=O)c1c(O)cccc1-2 ZINC000014656279 FI Annotated Clean O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000014658848 FI Annotated Anodyne CC(=O)O[C@H](C)CC1=C(O)C(=O)c2c(ccc3c(C)c(C)cc(C)c23)C1=O ZINC000014659944 FI Annotated Mild COc1c(OC)c(N(C)C)c2c(c1SSC)[C@H](OC)SCC2 ZINC000014676791 FI Annotated Reactive COc1c(OC)c(N(C)C)c2c(c1SSC)C(=S)SCC2 ZINC000014676796 FI Annotated Reactive COc1c(C(=O)C[C@H](OC)c2ccc3c(c2)OCO3)ccc2occc12 ZINC000014677187 FI Annotated Anodyne COc1c(C(=O)C[C@@H](OC)c2ccc3c(c2)OCO3)ccc2occc12 ZINC000014677189 FI Annotated Anodyne CO[C@@H]1OC(=O)[C@@H]2CCC([C@@]3(C)CCCC(C)(C)C3)=C([C@@H](C)C(=O)O)[C@H]12 ZINC000014677478 FI Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](OC2=O)[C@H](C(=C)C)c2cc(C(=O)OC)c(o2)C1 ZINC000014682087 FI Annotated Mild O=[N+]([O-])c1c([C@@H](O)c2cc(Cl)cc(Cl)c2O)[nH]c(Cl)c1Cl ZINC000014684495 FI Annotated Bother in-vitro O=[N+]([O-])c1c([C@H](O)c2cc(Cl)cc(Cl)c2O)[nH]c(Cl)c1Cl ZINC000014684496 FI Annotated Bother in-vitro CCCC(=O)c1c(O)c(C(C)=O)c2oc(=O)cc(-c3ccccc3)c2c1O ZINC000014684955 FI Annotated Anodyne O=C(O)c1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1ccccc12 ZINC000014685490 FI Annotated Anodyne COc1cc2c(OC)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 ZINC000014686707 FI Annotated Bother O=C(C1=N/C(=C\c2c[nH]c3ccccc23)C(O)=N1)c1c[nH]c2ccccc12 ZINC000014686771 FI Annotated Anodyne COc1cc2c(cc1OC)Oc1c(OC)ccc(CCN(C)C)c1C=C2 ZINC000014693748 FI Annotated Anodyne COc1cc(O)cc2occ(-c3cc(O)c4c(c3)C=CC(C)(C)O4)c(=O)c12 ZINC000014695523 FI Annotated Anodyne in-man COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCCN3C2)cc1 ZINC000014695996 FI Annotated Anodyne in-vitro biogenic COc1ccc(C2=C(c3ccc(O)cc3)CN3CCC[C@@H]3C2)cc1OC ZINC000014696006 FI Annotated Anodyne COc1ccc(C2=C(c3ccc(O)cc3)CN3CCC[C@H]3C2)cc1OC ZINC000014696008 FI Annotated Anodyne in-vitro biogenic COc1ccc(C2=C(c3ccc(OC)c(OC)c3)CN3CCC[C@H]3C2)cc1 ZINC000014696012 FI Annotated Anodyne in-vitro biogenic CCCCCC[C@@H](C)C(=O)/C=C1/C(C(=O)OC)=C2C=C(C)OC=C2[C@@]1(C)O ZINC000014696168 FI Annotated Mild CCCCCC[C@H](C)C(=O)/C=C1/C(C(=O)OC)=C2C=C(C)OC=C2[C@]1(C)O ZINC000014696174 FI Annotated Mild C/C=C(/C)C(=O)OC/C=C\c1cc(OC)c(OC(=O)/C(C)=C\C)c(OC)c1 ZINC000014709484 FI Annotated Anodyne COc1c(/C=C/C(C)(C)O)c2c(c3oc(C)cc(=O)c13)C=CC(C)(C)O2 ZINC000014711939 FI Annotated Anodyne COc1ccc([C@@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c(O)c1O ZINC000014713101 FI Annotated Clean C=C/C(=C\[C@@]1(C)CCCC(C)(C)C1)[C@@H]1[C@@H](OC(C)=O)O[C@@H]2OC(=O)C[C@@H]21 ZINC000014714398 FI Annotated Anodyne C=CC(C)(C)c1cc(O)c2oc3c(O)c4occc4cc3c(=O)c2c1O ZINC000014718264 FI Annotated Mild C=CC(C)(C)c1cc(O)c(O)c2c(=O)c3cc4ccoc4c(O)c3oc12 ZINC000014718265 FI Annotated Mild COc1c(C(C)C)cc2c(=O)cc3c(cc2c1OC)C=C[C@@H](O)C3(C)C ZINC000014721133 FI Annotated Anodyne C=C(C)[C@@H]1Cc2cc3c(cc2O1)oc(=O)c1c2cc4c(cc2oc31)OCO4 ZINC000014721486 FI Annotated Mild C=C(C)[C@H]1Cc2cc3c(cc2O1)oc(=O)c1c2cc4c(cc2oc31)OCO4 ZINC000014721488 FI Annotated Mild in-vitro biogenic COc1ccc2c(c1C1=COC(C)(C)C1=O)O[C@H](c1ccccc1)CC2=O ZINC000014721498 FI Annotated Mild COc1ccc2c(c1C1=COC(C)(C)C1=O)O[C@@H](c1ccccc1)CC2=O ZINC000014721500 FI Annotated Mild COC[C@]12CCCC(C)(C)C1=CC(=O)c1c(O)c(C(C)C)c(O)c(O)c12 ZINC000014725030 FI Annotated Mild COc1ccc([C@H]2c3cc(OC)c(OC)cc3C(=O)[C@H](C)[C@H]2C)cc1OC ZINC000014726838 FI Annotated Anodyne in-vitro biogenic COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@H](C)[C@H]2C)cc1OC ZINC000014726840 FI Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3C(=O)[C@H](C)[C@H]2C)OCO4)cc1OC ZINC000014726899 FI Annotated Anodyne in-vitro biogenic COc1cc(O)cc([C@@H]2CCc3c(O)cc(O)c(CC=C(C)C)c3O2)c1 ZINC000014762572 FI Annotated Anodyne CCCC(=O)c1c2c(c(O)c3c([C@@H](O)CC)cc(=O)oc13)C=CC(C)(C)O2 ZINC000014765959 FI Annotated Anodyne in-vitro biogenic CCCCC/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC ZINC000014768303 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC ZINC000014768309 FI Annotated Anodyne Brc1cc2[nH]cc(Br)c2cc1Br ZINC000014769622 FI Annotated Anodyne Cn1cc(Br)c2cc(Br)c(Br)cc21 ZINC000014769626 FI Annotated Anodyne Cc1c(Cl)c(O)c(Cl)c2oc3c(Cl)c(O)cc(O)c3c(=O)c12 ZINC000014769909 FI Annotated Bother Cc1c(Cl)c(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12 ZINC000014769915 FI Annotated Bother CC[C@H](O)CCCCCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O ZINC000014772405 FI Annotated Anodyne COc1cc(OC)c(-c2cc3cc4ccoc4cc3oc2=O)cc1OC ZINC000014822187 FI Annotated Anodyne C/C=C(/CC)C[C@@H](CC)C(=O)N/C(N)=N\C(=O)[C@@H](CC)C/C(=C/C)CC ZINC000014823483 FI Annotated Mild COc1ccc2c(ccc3c(CCN(C)C)cc(OC)c(OC)c32)c1OC ZINC000014826902 FI Annotated Bother CC1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 ZINC000014859297 FI Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]12C ZINC000014883752 FI Annotated Anodyne COc1c2c(cc3c1[C@H](OC)[C@H](O)[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 ZINC000014885795 FI Annotated Anodyne CO[C@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C ZINC000014930283 FI Annotated Anodyne CO[C@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C ZINC000014930287 FI Annotated Anodyne CO[C@@H]1c2c(c3c(c4c(C)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C ZINC000014930289 FI Annotated Anodyne O=C1Nc2ccccc2N(Cc2ccccc2)[C@]1(C#CC1CC1)C(F)(F)F ZINC000014943916 FI Annotated Mild O=C1Nc2ccccc2N(Cc2ccccc2)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000014943918 FI Annotated Mild CC(C)CN1c2cc(Cl)ccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000014943929 FI Annotated Mild CC(C)CN1c2cc(Cl)ccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F ZINC000014943930 FI Annotated Mild COc1ccc(-c2cc3c(NC(=O)CC4CCCC4)ncnc3o2)cc1 ZINC000014946134 FI Annotated Anodyne COc1ccc2c(=O)c(-c3ccccc3)c(Sc3ncc[nH]3)oc2c1 ZINC000014946798 FI Annotated Anodyne Cc1cccc(CCc2cccc(CCC3=C(O)C(=O)C=C(O)C3=O)c2)c1 ZINC000014951907 FI Annotated Mild CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O ZINC000014953765 FI Annotated Anodyne CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O ZINC000014953769 FI Annotated Anodyne CCOC(=O)C(=CNc1ccc2sc3ccccc3c2c1)C(=O)OCC ZINC000014956331 FI Annotated Anodyne Cn1cc([C@@H](CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21 ZINC000014957723 FI Annotated Anodyne Cn1cc([C@H](CN)c2cncc(/C=C/c3ccncc3)c2)c2ccccc21 ZINC000014957727 FI Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3[nH]cnc3-c3ccc(F)cc3)ccc21 ZINC000014958452 FI Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3c[nH]nc3-c3ccc(F)c(C)c3)ccc21 ZINC000014958537 FI Annotated Anodyne CNC[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 ZINC000014961045 FI Annotated Anodyne CNC[C@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 ZINC000014961049 FI Annotated Anodyne O[C@@H](CNCc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000014966726 FI Annotated Anodyne O[C@H](CNCc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000014966731 FI Annotated Anodyne C=CCOc1ccccc1CNC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000014966742 FI Annotated Mild C=CCOc1ccccc1CNC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000014966746 FI Annotated Mild CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000014968419 FI Annotated Anodyne O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)F)ccc2[nH]1 ZINC000014968437 FI Annotated Mild O=c1cc(C(F)(F)F)c2cc(N(CCCl)CC(F)(F)F)ccc2[nH]1 ZINC000014968441 FI Annotated Reactive CCc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 ZINC000014968496 FI Annotated Anodyne O=c1cc(Cl)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 ZINC000014968511 FI Annotated Anodyne O=C1c2ccccc2-c2nnc(COc3ccc(C(F)(F)F)cc3)cc21 ZINC000014970101 FI Annotated Clean CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1 ZINC000014970285 FI Annotated Bother CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1 ZINC000014970312 FI Annotated Bother Cc1cccc(N(C)CCNC(=O)Nc2ccccc2Br)c1 ZINC000014973924 FI Annotated Anodyne CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000014973936 FI Annotated Anodyne CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1 ZINC000014975615 FI Annotated Anodyne CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 ZINC000014975621 FI Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC000014975886 FI Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC000014975889 FI Annotated Anodyne Cc1ncsc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000014976104 FI Annotated Anodyne Cc1ncsc1C(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000014976107 FI Annotated Anodyne CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1 ZINC000014977283 FI Annotated Anodyne CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 ZINC000014977311 FI Annotated Anodyne CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 ZINC000014977315 FI Annotated Anodyne CCCN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000145178493 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2O)nc1 ZINC000145184914 FI Annotated Anodyne CC(/C=C/C(=O)O)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000145293742 FI Annotated Mild O=C(NCC1CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000145309818 FI Annotated Anodyne C=C1CC[C@@H]([C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)O2)[C@@H](O)[C@@H]2C(C)=CC[C@@H]12 ZINC000145311947 FI Annotated Mild CC[C@H](C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)[C@@H](C)O)cc1 ZINC000145363903 FI Annotated Anodyne CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 ZINC000145377214 FI Annotated Anodyne NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145448599 FI Annotated Anodyne NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145448794 FI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000145457438 FI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000145457659 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2 ZINC000145632251 FI Annotated Mild CC[C@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@@H]1CCCN1 ZINC000145902158 FI Annotated Anodyne in-vivo CC[C@@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@@H]1CCCN1 ZINC000145902358 FI Annotated Anodyne in-vivo CC[C@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@H]1CCCN1 ZINC000145902543 FI Annotated Anodyne in-vivo CC[C@@H](NC(=O)c1c(Cl)[nH]c2c1CCCc1ccccc1-2)[C@H]1CCCN1 ZINC000145902736 FI Annotated Anodyne in-vivo CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2N)C1 ZINC000145904707 FI Annotated Anodyne COc1cccc([C@@H]2CCCN(c3nc(-c4ccncc4)cs3)C2=O)c1 ZINC000146360151 FI Annotated Anodyne COc1cccc([C@H]2CCCN(c3nc(-c4ccncc4)cs3)C2=O)c1 ZINC000146360362 FI Annotated Anodyne C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(O)CC2)CC1=O ZINC000146424921 FI Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)cc1Cl ZINC000146541726 FI Annotated Anodyne [C-]#[N+]c1ccc(N[C@H](CO)c2nnc(-c3ccccc3)o2)c(C)c1Cl ZINC000146544848 FI Annotated Anodyne C=CCN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146812848 FI Annotated Mild Clc1ccc(N[C@@H]2C[C@@H](Oc3ncccc3C3CCOCC3)C2)nc1 ZINC000146909511 FI Annotated Anodyne Cc1cc(C)c(CNC(=O)c2ccc([C@H](C)c3ccccc3)cc2)c(O)n1 ZINC000146975197 FI Annotated Anodyne Cc1cc(C)c(CNC(=O)c2ccc([C@@H](C)c3ccccc3)cc2)c(O)n1 ZINC000147027619 FI Annotated Anodyne O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(Cl)cccc1Cl ZINC000147173151 FI Annotated Anodyne Cc1ccncc1N1CCN(c2ccc3nc(Cl)cc(C)c3c2)C1=O ZINC000147208656 FI Annotated Anodyne C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](OC(=O)C(N)=O)CC[C@@]23C)C1 ZINC000147283731 FI Annotated Mild [C-]#[N+]c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1 ZINC000147475580 FI Annotated Anodyne Nc1ncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cn1 ZINC000148013192 FI Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3NCc3cccnc3)cc2)nc1 ZINC000148034434 FI Annotated Anodyne CCCC[C@@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] ZINC000148045814 FI Annotated Anodyne CCCC[C@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] ZINC000148046016 FI Annotated Anodyne CCN(CC)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148191980 FI Annotated Anodyne Fc1cc(Oc2nccnc2C2CCOCC2)ccc1Nc1ccccn1 ZINC000148199862 FI Annotated Anodyne C=CCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148228916 FI Annotated Mild C=C(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148309587 FI Annotated Mild O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1C(F)(F)F ZINC000148382433 FI Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1cc(C2=CCN(C)CC2)ccn1 ZINC000148448318 FI Annotated Anodyne CC(C)=CC[C@H](OC(=O)C=C(C)C)c1cocc1C1=CC(=O)C=CC1=O ZINC000148584228 FI Annotated Mild CC(=O)O[C@H]1C=C(C)C(=O)[C@H](O)[C@H]1/C(C)=C/C=C/[C@H](C)/C=C/CC(C)C ZINC000149061335 FI Annotated Mild Cc1ccc(-c2cn3ccc(-c4nc5c(C)ncc(C)n5n4)cc3n2)c(C)c1 ZINC000149311804 FI Annotated Anodyne Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000149515361 FI Annotated Anodyne Cc1cc(O)c(-c2ccc([C@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000149515563 FI Annotated Anodyne NCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000149540527 FI Annotated Anodyne CC(C)[C@]1(O)CC[C@]2(C)C=C[C@@H](C)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 ZINC000149565980 FI Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)C1CCCCC1 ZINC000149599044 FI Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)C1CCCCC1 ZINC000149599238 FI Annotated Anodyne COc1c(C(=O)CC(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C ZINC000149615523 FI Annotated Anodyne Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)s1 ZINC000149718264 FI Annotated Reactive Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)c(F)c1 ZINC000149720471 FI Annotated Reactive Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)cc1F ZINC000149722974 FI Annotated Reactive Nc1ncc(-c2ccc(C3(c4noc(-c5ccccc5)n4)CCC3)cc2)cn1 ZINC000149737792 FI Annotated Anodyne NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000149786606 FI Annotated Anodyne CNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149821756 FI Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN(C)C)cc1 ZINC000149888583 FI Annotated Anodyne O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CCCNC2)cc1Cl ZINC000149952147 FI Annotated Anodyne O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CCCNC2)cc1Cl ZINC000149952365 FI Annotated Anodyne O=C(Nc1ccc([C@@H]2CCCNC2)cc1Cl)c1ccc(Cl)nc1 ZINC000149968070 FI Annotated Anodyne O=C(Nc1ccc([C@H]2CCCNC2)cc1Cl)c1ccc(Cl)nc1 ZINC000149968295 FI Annotated Anodyne O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CCNC2)cc1Cl ZINC000149975382 FI Annotated Anodyne O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CCNC2)cc1Cl ZINC000149975616 FI Annotated Anodyne Clc1nc2ccccc2cc1CNc1ccc([C@H]2CNCCO2)cc1 ZINC000149985163 FI Annotated Anodyne CN[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149991883 FI Annotated Anodyne CN[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149992090 FI Annotated Anodyne CCOC(=O)c1ccc(-c2cnoc2-c2cc(CC)c(OC)cc2O)o1 ZINC000001504570 FI Annotated Anodyne CN1CCN(c2cc3c(c4c2[nH]c2ccccc24)C(=O)CC(C)(C)C3)CC1 ZINC000001506765 FI Annotated Anodyne aggregator CCOCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 ZINC000001535252 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@@H](C)[C@H]3O ZINC000001540639 FI Annotated Anodyne COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC=C3)cc1 ZINC000001541480 FI Annotated Anodyne CCCCCC[C@@H](C)c1ccc2c(c1)C(=O)c1nc3ccncc3c(=O)n1-2 ZINC000001543371 FI Annotated Anodyne Cc1nc2cnccc2n1CCCO[C@H]1CC[C@H](c2ccc(F)cc2)O1 ZINC000001554989 FI Annotated Anodyne CC1(C)C=Cc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000001583495 FI Annotated Anodyne COc1cc2cc(-c3ccc(OC(C)C)c(OC)c3)[n+](C)cc2cc1OC ZINC000001591223 FI Annotated Anodyne CCN1CC[C@@](O)(/C=C/c2ccccc2)[C@H](C(=O)/C=C/c2ccccc2)C1 ZINC000001611361 FI Annotated Mild COc1c(C(C)=O)c(C)cc2cc3c(c(O)c12)C(=O)C(C)(C)C(=O)C3(C)C ZINC000001611992 FI Annotated Anodyne in-vivo Cc1ccccc1C(=O)c1c(O)c2c(c(O)c1Br)CCCC2 ZINC000001613564 FI Annotated Anodyne O=c1cccccc1NCCCCCCCCNc1cccccc1=O ZINC000001613632 FI Annotated Anodyne O=C(O)/C(Cl)=C(\Cl)C(=O)Nc1ccc(Cl)c(Cl)c1Cl ZINC000001616819 FI Annotated Anodyne CC1(C)CCc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@H]31)OCO4 ZINC000001618215 FI Annotated Anodyne CC1(C)CCc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000001618216 FI Annotated Anodyne CC1(C)CCc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@H]31)OCO4 ZINC000001618217 FI Annotated Anodyne CC1(C)CCc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000001618218 FI Annotated Anodyne O=C1c2ccccc2C(Br)(Br)c2ccccc21 ZINC000001618277 FI Annotated Anodyne COc1cc2cc[n+]3c4cc(OC)c(OC)cc4c(C)cc3c2cc1OC ZINC000001619035 FI Annotated Bother N#C[C@@]1(Cc2ccc(N)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000001619888 FI Annotated Mild COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@@H](C)N(Cc1ccccc1)CC3 ZINC000001620062 FI Annotated Bother CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1 ZINC000001622707 FI Annotated Bother C=CCC[C@@H](C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000001625456 FI Annotated Mild COc1c(Br)cc(Br)c(OC)c1-c1ccc[nH]1 ZINC000001627673 FI Annotated Anodyne Cn1c(=O)c2c3ccccc3c(C(=O)c3ccccc3)n2c2ccccc21 ZINC000001628828 FI Annotated Bother COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=NCCN2)cc1 ZINC000001629440 FI Annotated Anodyne CCCCO[C@H]1C[C@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 ZINC000001629577 FI Annotated Anodyne O=C1/C(=C/c2cccc([N+](=O)[O-])c2)COc2ccc(Br)cc21 ZINC000001630134 FI Annotated Mild COC1=C(C)C(=O)c2c(cc3c(c2O)[C@@](C)(CCC=C(C)C)[C@H](C)O3)C1=O ZINC000001630727 FI Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc3c(c2O)[C@@](C)(CCC=C(C)C)[C@@H](C)O3)C1=O ZINC000001630728 FI Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc3c(c2O)[C@](C)(CCC=C(C)C)[C@H](C)O3)C1=O ZINC000001630729 FI Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc3c(c2O)[C@](C)(CCC=C(C)C)[C@@H](C)O3)C1=O ZINC000001630730 FI Annotated Mild in-vitro O=C1c2nn(-c3ccccc3)nc2[C@@H](c2ccccc2)N1c1ccccc1 ZINC000001630902 FI Annotated Anodyne CCOC(=O)/C(Br)=C1\OC(=O)c2ccccc2-c2ccccc21 ZINC000001630949 FI Annotated Anodyne C=CCCC1(CCP(=O)(c2ccccc2)c2ccccc2)OCCO1 ZINC000001631820 FI Annotated Reactive Cc1c(-c2coc(-c3ccc(Cl)cc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000001632332 FI Annotated Anodyne O=C(c1ccccc1)c1cc(Cl)ccc1NCn1nnc2ccccc21 ZINC000001633143 FI Annotated Clean C/C(=C\Cc1cc(O)ccc1O)CCc1c(C)c(O)c(O)c(C=O)c1C ZINC000001633255 FI Annotated Clean CCO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000001633817 FI Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)c(OC)cc3[C@@H]2CCl)cc1OC ZINC000001634767 FI Annotated Reactive COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@@H]2CCl)cc1OC ZINC000001634768 FI Annotated Reactive COc1ccc([C@@H]2Oc3cc(OC)c(OC)cc3[C@H]2CCl)cc1OC ZINC000001634769 FI Annotated Reactive COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@H]2CCl)cc1OC ZINC000001634770 FI Annotated Reactive COc1ccc(-c2nc(-c3cnccn3)n(C/C=C/c3ccccc3)n2)cc1 ZINC000001635125 FI Annotated Anodyne COc1cccc(-c2nc(-c3cnccn3)n(C/C=C/c3ccccc3)n2)c1 ZINC000001635127 FI Annotated Anodyne O=C1C[C@]2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1 ZINC000001636836 FI Annotated Anodyne O=C(OCCN=C1c2ccccc2CCc2ccccc21)c1ccccc1 ZINC000001643749 FI Annotated Mild CCOC(=O)N1N(c2ccccc2)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000001647591 FI Annotated Anodyne CCC(=O)c1cc(C(=O)C(=S)SC)cc(C(=O)C(=S)SC)c1 ZINC000001648065 FI Annotated Anodyne CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1C(=O)O ZINC000001648739 FI Annotated Anodyne CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1C(=O)O ZINC000001648740 FI Annotated Anodyne CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1C(=O)O ZINC000001648741 FI Annotated Anodyne CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1C(=O)O ZINC000001648742 FI Annotated Anodyne COc1c(-c2ccccc2)oc2c(CP(=O)(OC)OC)cccc2c1=O ZINC000001648802 FI Annotated Anodyne CC(C)Oc1c(-c2ccc(F)cc2)c(O)c2c3c1oc(=O)n3C=C[C@@H]2C ZINC000001650069 FI Annotated Anodyne CN(C)c1nc2oc(-c3ccccc3)c(-c3ccccc3)c2c2nncn12 ZINC000001650423 FI Annotated Anodyne COc1ccc(CCCCl)c(C2=NCCc3cc(OC)c(OC)cc32)c1 ZINC000001650695 FI Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@H]2CCCn3c2c(C#N)c2ccccc23)cc1 ZINC000001650852 FI Annotated Mild CCOP(=O)(Nc1ccccc1P(=O)(OCC)OCC)OCC ZINC000001653618 FI Annotated Anodyne C[n+]1c2ccccc2n2c3ccccc3c(NCc3ccco3)c(C#N)c21 ZINC000001653905 FI Annotated Mild CCOC(=O)c1cc(C2=C(S)N(C[C@H](C)CC)CC2)c(C(=O)CC)[nH]1 ZINC000001653954 FI Annotated Anodyne CCN(CC)C(=S)/N=C(\SC(=S)N(CC)CC)c1ccccc1 ZINC000001654010 FI Annotated Mild C=CC(C)(C)C(=C)C(=O)N(C)c1ccccc1I ZINC000001654059 FI Annotated Mild COc1ccc2oc(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1 ZINC000001654555 FI Annotated Reactive COc1cc([C@H]2c3cccc4cccc(c34)[C@H]3CCC(=O)N23)cc(O)c1O ZINC000001654647 FI Annotated Clean COc1cc([C@@H]2c3cccc4cccc(c34)[C@H]3CCC(=O)N32)cc(O)c1O ZINC000001654648 FI Annotated Clean COc1cc([C@H]2c3cccc4cccc(c34)[C@@H]3CCC(=O)N32)cc(O)c1O ZINC000001654649 FI Annotated Clean COc1cc([C@@H]2c3cccc4cccc(c34)[C@@H]3CCC(=O)N32)cc(O)c1O ZINC000001654650 FI Annotated Clean O=C(c1ccco1)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000001655250 FI Annotated Anodyne C=CCN(c1cc(OCc2ccccc2)c2[nH]cc(C)c2c1)S(C)(=O)=O ZINC000001655809 FI Annotated Mild O=C1C=C(Br)c2c(Br)sc(Br)c21 ZINC000001656433 FI Annotated Mild CCOC(=O)N(CC)c1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O ZINC000001656558 FI Annotated Anodyne Cc1ccc2oc3c(c(Br)c(Br)n3C)c(=O)c2c1 ZINC000001656824 FI Annotated Anodyne O=C1C[C@H](n2cccc2)c2c(Br)sc(Br)c21 ZINC000001658015 FI Annotated Anodyne O=C1C[C@H](Br)c2c(Br)sc(Br)c21 ZINC000001658023 FI Annotated Reactive O=C1c2c(Br)sc(Br)c2[C@@H](Cl)[C@H]1Cl ZINC000001658024 FI Annotated Reactive COc1cc(OCc2nc3ccccc3n3cccc23)cc(OC)c1OC ZINC000001658493 FI Annotated Anodyne O=C(c1cc2c(c3ccccc13)NCCN=C2C(F)(F)F)C(F)(F)F ZINC000001658981 FI Annotated Anodyne COc1cc(OC)cc(Oc2nc3ccccc3nc2C(F)(F)F)c1 ZINC000001659553 FI Annotated Anodyne O=C(N/N=C/c1ccccc1Cl)Nc1ccc(Br)cc1 ZINC000001659578 FI Annotated Reactive CCC(=O)Nc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000001660512 FI Annotated Reactive CCC(=O)Nc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000001660513 FI Annotated Reactive CCC(=O)Nc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(SC)cc2)cc1 ZINC000001660514 FI Annotated Reactive CCC(=O)Nc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(SC)cc2)cc1 ZINC000001660515 FI Annotated Reactive Cc1cccc(Nc2nn3c(=O)c4c5c(sc4nc3s2)CCCC5)c1 ZINC000001660907 FI Annotated Anodyne Cc1ccc(N2CN3OC(=O)N(c4ccccc4)[C@@]3(c3ccccc3)C2)cc1 ZINC000001661568 FI Annotated Mild COc1cc(/C=[N+](\[O-])c2ccccc2Cl)ccc1OC(=S)S ZINC000001661824 FI Annotated Mild N#CC1=C(N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000001661843 FI Annotated Reactive N#CC1=C(N)OC2=C(CCCc3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001661845 FI Annotated Reactive COC(CN(C=O)[C@@H](c1ccc(Cl)cc1)c1cc2ccccc2o1)OC ZINC000001661927 FI Annotated Anodyne CCCC[C@H]1Cc2cc(OC)ccc2-c2n1c1ccc(OC)cc1[n+]2C ZINC000001662021 FI Annotated Anodyne CCCC[C@@H]1Cc2cc(OC)ccc2-c2n1c1ccc(OC)cc1[n+]2C ZINC000001662022 FI Annotated Anodyne O[C@@]1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21 ZINC000001662062 FI Annotated Anodyne COc1cc(NCc2ccc3n2-c2ccccc2OC3)cc(OC)c1OC ZINC000001662785 FI Annotated Clean COc1ccc(-n2c3c(c4cc(O)ccc42)Cc2ccccc2C3=O)cc1 ZINC000001662854 FI Annotated Anodyne COc1ccc(-n2c3c(c4cc(O)ccc42)C(=O)c2ccccc2C3=O)cc1 ZINC000001663331 FI Annotated Clean COc1ccc(Oc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 ZINC000001663403 FI Annotated Anodyne CCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12 ZINC000001763696 FI Annotated Bother CCCCN1C[C@@H]2C[C@H](C1)CN(C(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000001842194 FI Annotated Anodyne CCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)[C@@H](C)O ZINC000001846830 FI Annotated Anodyne CCN(CC)CCOc1ccccc1O/C(=C/c1ccccc1)[C@H](C)O ZINC000001846832 FI Annotated Anodyne CCc1cc2c(c3c1CCCC3=O)C[C@@]1(Cc3ccc(C(=O)OC)cc3C1)C2 ZINC000001855341 FI Annotated Anodyne COC(=O)c1cc2c(cc1C[C@H]1Cc3cc4c(cc3C1=O)CCC4)CCC2 ZINC000001855512 FI Annotated Anodyne O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCC4)CCC2 ZINC000001855672 FI Annotated Anodyne COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 ZINC000001855691 FI Annotated Anodyne Cc1ccc(S(=O)(=O)C2=Cc3ccccc3[C@@]2(O)c2ccccc2)cc1 ZINC000001856514 FI Annotated Anodyne CCc1ccc(Nc2cc(=O)n(C)c(SCc3ccccc3)n2)cc1 ZINC000001857573 FI Annotated Anodyne CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000001858530 FI Annotated Bother C=CC[C@H]1NCCC2=C1[C@@H](S(=O)(=O)c1ccc(C)cc1)c1ccccc12 ZINC000001860447 FI Annotated Mild C=CC[C@H]1NCCC2=C1[C@H](S(=O)(=O)c1ccc(C)cc1)c1ccccc12 ZINC000001860449 FI Annotated Mild C=CC[C@@H]1NCCC2=C1[C@@H](S(=O)(=O)c1ccc(C)cc1)c1ccccc12 ZINC000001860450 FI Annotated Mild C=CC[C@@H]1NCCC2=C1[C@H](S(=O)(=O)c1ccc(C)cc1)c1ccccc12 ZINC000001860452 FI Annotated Mild N#C[C@H](c1nc2ccccc2s1)c1nc(Cl)ncc1Br ZINC000001861448 FI Annotated Mild N#C[C@@H](c1cc(Cl)ncn1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000001861457 FI Annotated Mild C[C@H](C(=O)COCc1ccccc1)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000001861640 FI Annotated Anodyne C[C@@]1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000001864089 FI Annotated Reactive COc1ccccc1Cc1ccc([C@@H]2C=C[C@]3(CC(=O)C=C3C)C(=O)C2)o1 ZINC000001864986 FI Annotated Mild COc1ccccc1Cc1ccc([C@@H]2C=C[C@@]3(CC(=O)C=C3C)C(=O)C2)o1 ZINC000001864987 FI Annotated Mild COc1ccccc1Cc1ccc([C@H]2C=C[C@]3(CC(=O)C=C3C)C(=O)C2)o1 ZINC000001864988 FI Annotated Mild COc1ccccc1Cc1ccc([C@H]2C=C[C@@]3(CC(=O)C=C3C)C(=O)C2)o1 ZINC000001864989 FI Annotated Mild Cc1cc2c(cc1Cl)S[C@H](c1ccccc1)C(O)=NS2(=O)=O ZINC000001865124 FI Annotated Anodyne COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 ZINC000001866576 FI Annotated Anodyne O=[N+]([O-])C(=C1Nc2ccccc2N1)/C(Cl)=C(/Cl)Br ZINC000001883428 FI Annotated Anodyne Cc1cnc(NCCCN(C)C)c2c3c4ccc(O)cc4ccc3n(C)c12 ZINC000001888407 FI Annotated Bother O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccco1 ZINC000001890594 FI Annotated Anodyne O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccoc1 ZINC000001890596 FI Annotated Anodyne O=C(c1c[nH]c2cccc(OCCNCc3ccccc3)c12)C(F)(F)F ZINC000001903125 FI Annotated Anodyne C=CC[n+]1c(-c2ccc(C)cc2)csc1NNC(=O)Nc1ccccc1 ZINC000001958655 FI Annotated Reactive aggregator Cc1cccc(NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1 ZINC000001959667 FI Annotated Reactive COc1c2c(c(OC)c3occc13)O[C@H](c1ccccc1)[C@@H](OC)[C@@H]2OC ZINC000015045239 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@H](OC)[C@H]2OC ZINC000015045241 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@H](c1ccccc1)[C@@H](OC)[C@H]2OC ZINC000015045244 FI Annotated Anodyne CC(=O)OC[C@@H]1[C@H]2CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]13COC2=O ZINC000015060647 FI Annotated Anodyne Cc1cc(Cl)c2oc(C(=O)N3CCN(c4ccncc4)CC3)c(C)c2c1 ZINC000015074452 FI Annotated Anodyne CC(C)c1ccc(CN2CCC[C@@]3(CCN(Cc4ncc[nH]4)C3)C2)cc1 ZINC000015080295 FI Annotated Anodyne CC(C)c1ccc(CN2CCC[C@]3(CCN(Cc4ncc[nH]4)C3)C2)cc1 ZINC000015080298 FI Annotated Anodyne CC(C)=CC[C@H](O)/C(C)=C/C=C/C(C)=C/[C@@](C)(O)C/C=C/C=C/C(=O)O ZINC000015117559 FI Annotated Anodyne CC(C)=CC[C@H](O)/C(C)=C/C=C/C(C)=C/[C@](C)(O)C/C=C/C=C/C(=O)O ZINC000015117563 FI Annotated Anodyne CC(=O)OC[C@H]1/C(C=O)=C\C/C=C(/C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C ZINC000015119123 FI Annotated Reactive CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(C)C(=O)c1c(O)cc(O)cc1C2=O ZINC000015120529 FI Annotated Clean in-vitro CC(C)=CCC[C@](C)(O)CCc1c(O)cc(O)c(C(=O)C(C)C)c1O ZINC000015120710 FI Annotated Anodyne CC(C)=CCC[C@@](C)(O)CCc1c(O)cc(O)c(C(=O)C(C)C)c1O ZINC000015120711 FI Annotated Anodyne C=CC(C)(C)c1cc2c(c(O)c1OC)O[C@@H]1c3ccc(O)cc3OC[C@H]21 ZINC000015121049 FI Annotated Mild CC1=CC(=O)c2c(ccc(-c3ccc4cc(C)cc(O)c4c3O)c2O)C1=O ZINC000015148896 FI Annotated Mild C=C(C)[C@H]1CC/C(C)=C\CC[C@@]2(C)O[C@@H]2CC/C(COC(C)=O)=C/[C@@H]1O ZINC000015154372 FI Annotated Mild COC(=O)C[C@]1(C)CC[C@]2(O1)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]1O[C@@]12C ZINC000015168459 FI Annotated Anodyne O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2 ZINC000015188080 FI Annotated Mild C=C1CC[C@@H]([C@@]2(C)CC[C@H](C(C)(C)OC(C)=O)O2)[C@@H](O)[C@H]2C(C)=CC[C@@H]12 ZINC000015194000 FI Annotated Mild C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@@]2(C)O1 ZINC000015194963 FI Annotated Mild COc1c2c(cc3ccoc13)CC[C@H](C/C=C/C=C/C(=O)NCC(C)C)O2 ZINC000015204171 FI Annotated Anodyne COc1c2c(cc3ccoc13)CC[C@@H](C/C=C/C=C/C(=O)NCC(C)C)O2 ZINC000015204173 FI Annotated Anodyne C=CCc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H](C)O2 ZINC000015211331 FI Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c3c(c1)OCO3)[C@@H](C)O2 ZINC000015211335 FI Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c3c(c1)OCO3)[C@H](C)O2 ZINC000015211338 FI Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c3c(c1)OCO3)[C@H](C)O2 ZINC000015211340 FI Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@@H](c1cc(O)c(OC)c(OC)c1)[C@@H](C)O2 ZINC000015211381 FI Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O2 ZINC000015211395 FI Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O2 ZINC000015211401 FI Annotated Mild COc1cc(CC[N+](C)(C)[O-])c2ccc3c(OC)cccc3c2c1OC ZINC000015216308 FI Annotated Bother C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@H]3[C@H](OC(C)=O)[C@@H](C)CN1C ZINC000015219710 FI Annotated Mild C/C(=C\CC[C@@]12CC(=O)O[C@@H]1O2)C[C@@H](O)C[C@@H](C)CCCc1ccoc1 ZINC000015222743 FI Annotated Anodyne COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@H](O)CC2 ZINC000015251154 FI Annotated Anodyne COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCC[C@@H](O)CC2 ZINC000015251159 FI Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O)CO ZINC000015251935 FI Annotated Anodyne CO/C1=C/C(=O)CCc2cc(OC)c(OC)c(c2)Oc2ccc(cc2)CC1 ZINC000015252554 FI Annotated Mild CO/C1=C/C(=O)CCc2cc(c(OC)cc2OC)Oc2ccc(cc2)CC1 ZINC000015252565 FI Annotated Mild CO/C1=C/C(=O)CCc2cc(c(OC)cc2OC)-c2cc(ccc2O)CC1 ZINC000015252571 FI Annotated Mild COc1c(O)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1O2 ZINC000015263111 FI Annotated Anodyne C[C@H](/C=C/c1[nH]c2ccccc2c1CCN(C)C)CC(=O)[C@@H]1OC1(C)C ZINC000015268161 FI Annotated Anodyne COc1cc(F)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CN)cc1 ZINC000150003306 FI Annotated Anodyne FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)c(Cl)c1 ZINC000150051311 FI Annotated Anodyne Cc1cc(O)c(-c2ccc([C@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000150069517 FI Annotated Anodyne Cc1cc(O)c(-c2ccc(C[C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000150147488 FI Annotated Anodyne Cc1cc(O)c(-c2ccc(C[C@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 ZINC000150147687 FI Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)CN)cc1 ZINC000150200733 FI Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)CN)cc1 ZINC000150200935 FI Annotated Anodyne NCCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000150203830 FI Annotated Anodyne CN1Cc2cc(N3CCOCC3)ccc2[C@H](c2ccc3sccc3c2)C1 ZINC000150226332 FI Annotated Anodyne CN1Cc2cc(N3CCOCC3)ccc2[C@@H](c2ccc3sccc3c2)C1 ZINC000150226540 FI Annotated Anodyne C[C@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000150236596 FI Annotated Anodyne C=C(CC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)O)C(C)C ZINC000150247205 FI Annotated Mild biogenic C=C[C@](C)(O)CC/C=C(\CO)CC/C=C(/CCC(=C)C(C)C)C(=O)O ZINC000150248049 FI Annotated Mild biogenic NCC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1 ZINC000150287132 FI Annotated Anodyne C[C@@H](N)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000150288007 FI Annotated Anodyne C[C@H](N)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000150288223 FI Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C/CC/C(C)=C\C(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C ZINC000153492301 FI Annotated Mild O=C(c1noc2c1CCc1sccc1-2)N1CC=C(c2ccccc2)CC1 ZINC000015733262 FI Annotated Anodyne CSc1ccc(Cl)c(NC(=N)N(C)c2cccc([S@](C)=O)c2)c1 ZINC000015768723 FI Annotated Anodyne COc1c(S(=O)(=O)c2ccc(C)c(F)c2)cnc2ccc(Cl)cc12 ZINC000015828983 FI Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5ccccc5C4)[C@H]3C=C12 ZINC000015885505 FI Annotated Anodyne CC1(C)CCC(=O)N2CC[C@H]3C[C@H](OC(=O)Nc4ccccc4)C[C@@H]1[C@H]32 ZINC000015933855 FI Annotated Anodyne COc1cccc2sc3ccc(C#CC4(N)CCCCC4)cc3c(=O)c12 ZINC000015934048 FI Annotated Mild COc1cccc2sc3ccc(C#Cc4ccc(N)cc4)cc3c(=O)c12 ZINC000015934053 FI Annotated Mild CCOc1ccc(/N=C2\SCCCN2C(=O)c2c(CC)noc2C)cc1 ZINC000015934715 FI Annotated Mild C=CCn1c2ccccc2c(=O)c2cc(C#CC3(O)CCCCC3)ccc21 ZINC000015935065 FI Annotated Mild CC[C@H]1[C@@H](OC(=O)Nc2ccccc2)C[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 ZINC000015935330 FI Annotated Anodyne COc1cccc2sc3ccc(C#CC4(O)CCCCC4)cc3c(=O)c12 ZINC000015935765 FI Annotated Mild O=C1C=CC(=C2S/C(=N/c3ccccc3)NN2c2ccc(F)cc2)C=C1 ZINC000015936227 FI Annotated Mild CCCCn1c(-c2cccnc2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 ZINC000015936798 FI Annotated Anodyne O=C1CC[C@@H](O)CCN1CC[C@H](Sc1ccccc1)c1ccccc1 ZINC000015937232 FI Annotated Anodyne CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2c3ccccc3C[C@H]12 ZINC000015952427 FI Annotated Anodyne CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2c3ccccc3C[C@H]12 ZINC000015952428 FI Annotated Anodyne CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2c3ccccc3C[C@@H]21 ZINC000015952429 FI Annotated Anodyne CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2c3ccccc3C[C@H]12 ZINC000015952430 FI Annotated Anodyne Cc1cccc(/N=C/c2nc(-c3ccccc3Br)oc2O)n1 ZINC000015961124 FI Annotated Mild CC(/C=C\C=C\c1ccccc1)=N/NC(=O)c1cncc(Br)c1 ZINC000015961452 FI Annotated Reactive Cc1cc(C)n(C[C@H](C)NCc2c[nH]nc2-c2cccc3ccccc23)n1 ZINC000015962436 FI Annotated Anodyne Cc1cc(C)n(C[C@@H](C)NCc2c[nH]nc2-c2cccc3ccccc23)n1 ZINC000015962437 FI Annotated Anodyne CCOC1=C/C(=C/C=C2/C=Cc3cccc([N+](=O)[O-])c3N2)C=C(Cl)C1=O ZINC000015973773 FI Annotated Mild Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(c(=O)[nH]1)CCC2 ZINC000015973794 FI Annotated Anodyne COc1ccc(OCc2ccc(/C=N\NC(=O)c3sccc3C)o2)cc1 ZINC000015989816 FI Annotated Reactive C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C/C=C/C(C)(C)OC)[C@@H](OC)OC[C@@H]12 ZINC000157162265 FI Annotated Mild CC(C)Oc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F ZINC000016052109 FI Annotated Anodyne CNC[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000164862796 FI Annotated Anodyne CNC[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000164862905 FI Annotated Anodyne CN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000164901776 FI Annotated Anodyne CN(C)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000164951679 FI Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)N)cc1 ZINC000164966375 FI Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)N)cc1 ZINC000164966505 FI Annotated Anodyne CCN1CC[C@](O)(/C=C/c2ccccc2)[C@@H](C(=O)/C=C/c2ccccc2)C1 ZINC000016952498 FI Annotated Mild C[C@@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 ZINC000016958570 FI Annotated Anodyne C[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F ZINC000165001630 FI Annotated Anodyne C[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F ZINC000165001736 FI Annotated Anodyne CCNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165015728 FI Annotated Anodyne N#CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F ZINC000165025056 FI Annotated Anodyne CNCCc1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000165091999 FI Annotated Anodyne Cc1cc(O)c(-c2ccc(CCN)c(F)c2)c2c1[nH]c(=O)c1sccc12 ZINC000165093346 FI Annotated Anodyne COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1 ZINC000165114681 FI Annotated Anodyne CC(C)(N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165185862 FI Annotated Anodyne CC(C)(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165217021 FI Annotated Anodyne C[C@@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F ZINC000165292678 FI Annotated Anodyne C[C@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F ZINC000165292807 FI Annotated Anodyne C/C=C(\CC)C[C@H](CC)C(=O)/N=C(\N)NC(=O)[C@H](CC)C/C(=C/C)CC ZINC000165517861 FI Annotated Mild CC(=O)OC/C1=C/C/C=C(\C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H](O)[C@H]1O ZINC000165696761 FI Annotated Anodyne CCC/C=C/C=C\C=C\CCCOC[C@H](CO)OC(=O)c1ccc(O)cc1 ZINC000165721897 FI Annotated Anodyne Cc1cc(=O)cc2oc3cc(O)c(-c4c(C)cc(O)cc4O)c(C)c3nc1-2 ZINC000165752811 FI Annotated Anodyne in-vitro O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000165817768 FI Annotated Anodyne CCCC[C@H]1C[C@@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@H](CN=C=S)N13 ZINC000166167163 FI Annotated Reactive CCCC[C@H]1C[C@@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@H](N=C=S)CN13 ZINC000166167308 FI Annotated Reactive CCCC[C@H]1C[C@@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@H](CSC#N)N13 ZINC000166229691 FI Annotated Reactive COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)C=CC(C)(C)O2 ZINC000167231693 FI Annotated Anodyne N#C[C@@H](c1ccnc(Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000167372270 FI Annotated Mild N#C[C@H](c1ccnc(Cl)n1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000167372390 FI Annotated Mild CC(C)(C)n1c(-c2cccc(F)n2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169253988 FI Annotated Anodyne CC(/C=C\C(O)=C1/C(=O)[C@@H]2CCCN2C1=O)=C\c1ccc2ccccc2c1 ZINC000169290013 FI Annotated Mild CC(/C=C\C(O)=C1/C(=O)[C@H]2CCCN2C1=O)=C\c1ccc2ccccc2c1 ZINC000169290014 FI Annotated Mild CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 ZINC000169290098 FI Annotated Anodyne CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 ZINC000169290099 FI Annotated Anodyne CC(=O)OC[C@H]1/C(C=O)=C/C/C=C(/C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C ZINC000169290228 FI Annotated Reactive C=C1C[C@@H](O)/C=C(/C)CC[C@@H]2/C(=C\C=C\C(C)C)[C@@H](OC)O[C@H](OC)[C@@H]12 ZINC000169290234 FI Annotated Mild CC(=O)O[C@@H]1/C(C(C)C)=C/C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@]2(C)[C@H]1O ZINC000169290553 FI Annotated Anodyne CC(=O)O[C@@H]1/C(C(C)C)=C/C=C(\C)CC/C=C(/C)CC[C@@H]2O[C@]2(C)[C@H]1O ZINC000169290555 FI Annotated Anodyne CC(=O)O[C@@H]1/C(C(C)C)=C/C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@]2(C)[C@H]1O ZINC000169290556 FI Annotated Anodyne CN1C[C@@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291297 FI Annotated Anodyne CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169291299 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC ZINC000169292797 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC ZINC000169292798 FI Annotated Anodyne C=C(C)[C@H]1CC/C(C)=C\CC[C@@]2(C)O[C@@H]2CC/C(COC(C)=O)=C\[C@@H]1O ZINC000169292874 FI Annotated Mild C=C(C)[C@H]1CC/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(COC(C)=O)=C/[C@@H]1O ZINC000169292875 FI Annotated Mild COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000169294001 FI Annotated Anodyne COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1c1sccc1C ZINC000169294384 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000169295709 FI Annotated Anodyne C1=N\c2ncccc2OCCCOc2cccnc2/N=C\c2ccccc2/1 ZINC000169298971 FI Annotated Anodyne C1=N\c2ncccc2OCCCOc2cccnc2/N=C/c2ccccc2/1 ZINC000169298973 FI Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000169299343 FI Annotated Anodyne COC12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2NCCNC/C=C(\C)CCC=C(C)C ZINC000169300574 FI Annotated Anodyne C[C@H]1CC[C@@H]2CC(=O)O[C@H]([C@@H]3C(=O)O[C@@H](C4=CCCC4)[C@H]4[C@@H](C)CC[C@@H]43)[C@@H]12 ZINC000169301074 FI Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1 ZINC000169302699 FI Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1 ZINC000169302701 FI Annotated Anodyne COc1cccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)c1 ZINC000169303439 FI Annotated Anodyne COc1cccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)c1 ZINC000169303441 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnccc1NC(=O)c1ccc2ncsc2c1 ZINC000169303713 FI Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2cccc(C)c2)cc1Cl ZINC000169304087 FI Annotated Anodyne CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000169305083 FI Annotated Mild CCCN1N=C2/C(=C/c3ccccc3)C[S@](=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000169305595 FI Annotated Anodyne Nc1n[nH]c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c12 ZINC000169307012 FI Annotated Anodyne CC1=CS[C@@](O)(c2ccc3c(c2)Nc2ccccc2S3)CN1C=O ZINC000169307117 FI Annotated Anodyne CC1=CS[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)CN1C=O ZINC000169307118 FI Annotated Anodyne NC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2)c1O ZINC000169307451 FI Annotated Clean COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]23)cc1[N+](=O)[O-] ZINC000169307771 FI Annotated Clean COC(=O)/C(=C/c1ccc(OC)cc1)CSc1nc2ccccc2o1 ZINC000169308071 FI Annotated Anodyne CCOC(=O)/C(=C/c1cccc(Cl)c1)CSc1nc(C)cc(C)n1 ZINC000169308083 FI Annotated Anodyne CCOC(=O)/C(=C/c1ccc(CC)cc1)CSc1nc(C)cc(C)n1 ZINC000169308086 FI Annotated Anodyne COc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1 ZINC000169308776 FI Annotated Anodyne NCCCNc1nc2cccc(Br)c2c2[nH]c3ccccc3c12 ZINC000169309459 FI Annotated Bother C=C1CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000169310159 FI Annotated Reactive C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000169310160 FI Annotated Reactive C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000169310161 FI Annotated Reactive C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000169310162 FI Annotated Reactive Cn1c(=O)n(CCOc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c21 ZINC000169310418 FI Annotated Anodyne OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 ZINC000169310659 FI Annotated Anodyne OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 ZINC000169310660 FI Annotated Anodyne OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 ZINC000169310661 FI Annotated Anodyne COc1ccc(OC)c2c1NC(=O)/C2=C/c1c(Cl)[nH]c2ccccc12 ZINC000169310825 FI Annotated Clean O=C(Nc1ccc(N2CCCCC2)cc1)n1sc2ccccc2c1=O ZINC000169311125 FI Annotated Anodyne COc1ccc2c(Cc3c(-c4ccc(C)cc4)[nH][nH]c3=O)c(O)ccc2c1 ZINC000169311765 FI Annotated Anodyne COc1cc2ccccc2c(Cc2c(-c3ccc(C)cc3)[nH][nH]c2=O)c1O ZINC000169311773 FI Annotated Anodyne Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3nc(Cl)ccc23)cc1 ZINC000169311777 FI Annotated Anodyne Cc1cc(Cl)nc2ccc(O)c(Cc3c(-c4ccccc4)[nH][nH]c3=O)c12 ZINC000169311779 FI Annotated Anodyne O=C(c1ccc(OC(F)(F)F)cc1)c1ccn(-c2ccc(O)c(F)c2)c1 ZINC000169311952 FI Annotated Anodyne O=C(c1ccccc1)c1cc(C(=O)C(F)F)n(-c2ccc(O)c(F)c2)c1 ZINC000169311965 FI Annotated Anodyne CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2cc(Cl)ccc12 ZINC000169312085 FI Annotated Anodyne CC1=CC[C@H](C(C)(C)NC(=S)N/N=C/c2ccc(N(C)C)cc2)CC1 ZINC000169312744 FI Annotated Mild CC1=CC[C@H](C(C)(C)NC(=S)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000169312765 FI Annotated Mild N=c1c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2[nH]c(=S)n1N ZINC000169313061 FI Annotated Anodyne CC(=O)Oc1cccc([C@@]23CC[C@@H](C2)N(CCc2cccs2)CC3)c1 ZINC000169314270 FI Annotated Anodyne C/C(=N/NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccn1 ZINC000169314788 FI Annotated Mild NC12C[C@@H]3C[C@@H](C1)CC(SSC14C[C@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2 ZINC000169315697 FI Annotated Reactive CCCCC[C@](C)(O)/C=C/[C@H]1COC(=O)[C@@H]1CCCCCCC(=O)OC ZINC000169318074 FI Annotated Anodyne C[N+](C)(CCCCOc1ccccc1Cl)Cc1ccc([N+](=O)[O-])o1 ZINC000169318419 FI Annotated Bother C[N+](C)(CCCCOc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])o1 ZINC000169318420 FI Annotated Bother O=S(=O)(O)c1ccc(-c2ccc(-c3c[n+]4ccccc4s3)cc2)cc1 ZINC000169318505 FI Annotated Anodyne N#Cc1c(Cl)c(Cl)c(S(=O)(=O)CCCl)c(Cl)c1Cl ZINC000169319669 FI Annotated Reactive O=C(O)c1cc(=O)c2c(ccc3sc4ccc(Br)cc4c32)[nH]1 ZINC000169319944 FI Annotated Bother O=C(O)c1cc(=O)c2cc3sc4ccccc4c3c(Br)c2[nH]1 ZINC000169319977 FI Annotated Bother CSCc1c2[nH]c(C(=O)O)cc(=O)c2cc2sc3ccccc3c12 ZINC000169319978 FI Annotated Bother CC(=O)Oc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3)CCN(C#N)[C@@H](C2)C1 ZINC000169320493 FI Annotated Anodyne N#CCCn1c(-c2ccccn2)nc2cc(N=C=S)c(N=C=S)cc21 ZINC000169321314 FI Annotated Reactive C1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 ZINC000169321463 FI Annotated Reactive CC(C)(C)NC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000169321479 FI Annotated Reactive CCCCC[C@@](C)(O)/C=C/[C@H]1COC(=O)[C@@H]1CCCCCCC(=O)OC ZINC000169321677 FI Annotated Anodyne CCC(=O)c1cc(/N=N/c2cc(S(=O)(=O)O)c(C)cc2C)ccc1O ZINC000169322303 FI Annotated Clean O=c1c2ccc3ccccc3c2oc(=S)n1-c1ccc([N+](=O)[O-])cc1 ZINC000169323642 FI Annotated Bother CCN(CC)CCNc1ccc2cc(C#N)c3nc4ccccc4n3c2c1 ZINC000169324024 FI Annotated Mild CN(C)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccc(Cl)cc21 ZINC000169324437 FI Annotated Anodyne CN(C)CCCN1C(=O)/C(=C/c2ccccc2Cl)Oc2ccccc21 ZINC000169324444 FI Annotated Anodyne CN(C)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)Oc2ccccc21 ZINC000169324446 FI Annotated Anodyne CCN(CC)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccccc21 ZINC000169324471 FI Annotated Anodyne C=CCOc1ccc(OCc2cc(Cl)ccc2Cl)cc1C(=O)NO ZINC000169324504 FI Annotated Mild Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 ZINC000169325496 FI Annotated Mild Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc2ccccc2c1 ZINC000169325787 FI Annotated Anodyne O=C1C2=C(O[C@@H](c3ccc(Br)cc3)C2)C(=O)c2ccccc21 ZINC000169326676 FI Annotated Mild O=C1C2=C(O[C@H](c3ccc(Br)cc3)C2)C(=O)c2ccccc21 ZINC000169326677 FI Annotated Mild O=C(O)/C=C/[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@@H]4[C@H]3[C@H]2C=C[C@H]14 ZINC000169326883 FI Annotated Anodyne CC1=C(/C=N/N=C2\SCC(=O)N2Cc2ccccc2)C(C)(C)CC=C1 ZINC000169326905 FI Annotated Mild Cc1ccoc1-c1cc(-c2ccc(Br)cc2)[nH]c(=N)c1C#N ZINC000169327086 FI Annotated Mild CCO[C@H]1C[C@@H](c2coc3ccc(F)cc3c2=O)N(c2ccccc2)O1 ZINC000169327139 FI Annotated Anodyne Brc1cncnc1C1=CC=C(C2=CC=CCS2)SC1 ZINC000169327625 FI Annotated Anodyne CCN(CC)CCN1N=C(c2ccccc2)[C@@H](C)C2=C1CC(C)(C)CC2=O ZINC000169328675 FI Annotated Mild CCN(CC)CCN1N=C(c2ccccc2)[C@H](C)C2=C1CC(C)(C)CC2=O ZINC000169328677 FI Annotated Mild C=CCOc1cc(OCc2cc(Cl)ccc2Cl)ccc1C(=O)NO ZINC000169328713 FI Annotated Mild O=C1C(=O)c2ccccc2C2=C1C[C@H](c1ccc(Br)cc1)O2 ZINC000169328866 FI Annotated Mild O=C1C(=O)c2ccccc2C2=C1C[C@@H](c1ccc(Br)cc1)O2 ZINC000169328868 FI Annotated Mild CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2C(C)C)CCCCC1)C1CC1 ZINC000169329461 FI Annotated Anodyne CCOC(=O)c1sc(SC(C)C)c(C#N)c1-c1cc(O)cc(O)c1 ZINC000169329735 FI Annotated Mild CCOC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(O)cc1O ZINC000169329743 FI Annotated Mild COC[C@@H](COc1cccc2cnccc12)NCc1ccccc1Cl ZINC000169329845 FI Annotated Anodyne COC[C@H](COc1cccc2cnccc12)NCc1ccccc1Cl ZINC000169329846 FI Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000169330295 FI Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000169330300 FI Annotated Anodyne O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1O ZINC000169330878 FI Annotated Anodyne Cc1coc2c3c(ccc2c1=O)OC[C@H]1[C@@H]3C2=C(CCCC2=O)OC1(C)C ZINC000169330920 FI Annotated Mild CC(=O)C1=C(C)OC(C)(C)[C@H]2COc3ccc4c(=O)c(C)c(C)oc4c3[C@@H]12 ZINC000169330935 FI Annotated Mild O=c1nc2ccc(Cl)cn2cc1Cc1ccc(F)cc1C(F)(F)F ZINC000169331059 FI Annotated Anodyne O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1c1ccc(F)cc1 ZINC000169331097 FI Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@@H]1[C@@H]1CNC[C@@H]21 ZINC000169331885 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@@H]1[C@@H]1CNC[C@H]12 ZINC000169331886 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@H]1[C@@H]1CNC[C@@H]21 ZINC000169331887 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@@H]1CNC[C@H]12 ZINC000169331889 FI Annotated Mild CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169332183 FI Annotated Anodyne CCN(CC)CCN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O ZINC000169332566 FI Annotated Mild COc1cccc2c1[C@@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 ZINC000169332609 FI Annotated Clean COc1cccc2c1[C@@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 ZINC000169332612 FI Annotated Clean COc1cccc2c1[C@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 ZINC000169332613 FI Annotated Clean COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 ZINC000169332616 FI Annotated Clean O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000169332701 FI Annotated Anodyne Cc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1Cc1ccccc1 ZINC000169333091 FI Annotated Anodyne COCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(F)cc1)[C@@H]23 ZINC000169333645 FI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 ZINC000169334032 FI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 ZINC000169334034 FI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 ZINC000169334035 FI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1 ZINC000169334037 FI Annotated Anodyne CCN(CC)CCN1N=C(c2ccc(F)cc2)CC2=C1CC(C)(C)CC2=O ZINC000169334254 FI Annotated Mild COCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23 ZINC000169334436 FI Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 ZINC000169334688 FI Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 ZINC000169334689 FI Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 ZINC000169334690 FI Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(Cl)cc12 ZINC000169334691 FI Annotated Anodyne Nc1nc(=O)n(CCCc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000169335261 FI Annotated Anodyne Cc1nn(C2CCCCC2)c2c1C(c1ccccc1Cl)=NCC(=O)N2 ZINC000169335556 FI Annotated Anodyne Cc1nn(C2CCCCC2)c2c1C(c1ccccc1Cl)=NCC(=O)N2C ZINC000169335558 FI Annotated Anodyne C[N+](C)(C)C[C@H]1[C@H]2CC[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 ZINC000169336777 FI Annotated Bother C[N+](C)(C)C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1COC(=O)Nc1ccc(Cl)cc1 ZINC000169336778 FI Annotated Bother C[N+](C)(C)C[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 ZINC000169336779 FI Annotated Bother C[N+](C)(C)C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1COC(=O)Nc1ccc(Cl)cc1 ZINC000169336787 FI Annotated Bother CN1[C@H]2CC[C@H](OC(=O)C(O)(C3CCCCC3)C3CCCCC3)[C@H]1CC2 ZINC000169336892 FI Annotated Anodyne Cn1cc(COc2ncccc2-c2cncnc2)c2nc3ccccc3cc21 ZINC000169337398 FI Annotated Anodyne O[C@@H](CN1C=COC=C1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 ZINC000169338111 FI Annotated Anodyne O[C@H](CN1C=COC=C1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 ZINC000169338113 FI Annotated Anodyne O=C1CS/C(=N\N=C/C=C/C=C/c2cccs2)N1c1ccccc1 ZINC000169338293 FI Annotated Mild C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000169338305 FI Annotated Mild C=CCn1c(-c2ccccc2)cs/c1=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000169338307 FI Annotated Mild O=[N+]([O-])c1ccc(/C=N/N=c2\[nH]c(-c3ccc(Cl)cc3)cs2)s1 ZINC000169338321 FI Annotated Mild O=[N+]([O-])c1ccc(-c2cs/c(=N/C=C/c3ccc([N+](=O)[O-])s3)[nH]2)cc1 ZINC000169338322 FI Annotated Bother c1cnc(OCCc2cnc3[nH]c4ccccc4c3c2)c(-c2cncnc2)c1 ZINC000169338553 FI Annotated Anodyne CC1(C)[C@H]2CC[C@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@H]1C2 ZINC000169338767 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@H]1C2 ZINC000169338769 FI Annotated Anodyne COc1cc2c[n+](C)c3c4ccc(OC)c(OC)c4ccc3c2cc1OC ZINC000169339187 FI Annotated Bother COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C\[C@]2(C)OC(=O)C(C)=C2CC1 ZINC000169339237 FI Annotated Anodyne COC(=O)/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C\[C@]2(C)OC(=O)C(C)=C2CC1 ZINC000169339241 FI Annotated Anodyne COC(=O)/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@]2(C)OC(=O)C(C)=C2CC1 ZINC000169339243 FI Annotated Anodyne O=C(C[C@@H](C(=O)Nc1ccccc1)n1ccnc1)c1cccc2c1CCCC2 ZINC000169340245 FI Annotated Anodyne O=C(C[C@H](C(=O)Nc1ccccc1)n1ccnc1)c1cccc2c1CCCC2 ZINC000169340247 FI Annotated Anodyne CCOc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 ZINC000169340330 FI Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCSCC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342079 FI Annotated Anodyne COc1cccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)c1 ZINC000169342622 FI Annotated Anodyne COc1cccc(N2C(=O)CS[C@H]2c2cccc(Br)c2)c1 ZINC000169342623 FI Annotated Anodyne CNc1ccccc1N1C(=O)CS[C@@H]1c1cccc(Br)c1 ZINC000169342626 FI Annotated Anodyne CNc1ccccc1N1C(=O)CS[C@H]1c1cccc(Br)c1 ZINC000169342627 FI Annotated Anodyne COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1Br ZINC000169342638 FI Annotated Anodyne COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1Br ZINC000169342640 FI Annotated Anodyne CCc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 ZINC000169342961 FI Annotated Bother Cc1cc(=O)oc2cc(-c3ccc([N+](=O)[O-])o3)c3c(c12)OC(C)(C)C=C3 ZINC000169342975 FI Annotated Bother O=CNc1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1 ZINC000169343300 FI Annotated Anodyne CCCCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 ZINC000169343311 FI Annotated Anodyne CC(C)CCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 ZINC000169343312 FI Annotated Anodyne C[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1ccccc1 ZINC000169343385 FI Annotated Anodyne C[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1ccccc1 ZINC000169343388 FI Annotated Anodyne C[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1ccccc1 ZINC000169343390 FI Annotated Anodyne C[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1ccccc1 ZINC000169343392 FI Annotated Anodyne O=C(c1cc(-n2ccc3ccccc32)c(O)cc1O)N1Cc2ccccc2C1 ZINC000169343526 FI Annotated Anodyne Cc1ccc(Nc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1 ZINC000169343543 FI Annotated Anodyne CCC(Nc1ccc2c(c1)OCO2)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000169343854 FI Annotated Mild CC1(C)OC(c2ccccc2)(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000169344268 FI Annotated Anodyne COc1cccc(OC)c1NC(C)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000169344572 FI Annotated Mild COc1ccccc1NC(C)=C1C(=O)CC(c2ccccc2F)CC1=O ZINC000169344576 FI Annotated Mild O=P(N/N=C/c1ccccn1)(Oc1ccccc1)Oc1ccccc1 ZINC000169345751 FI Annotated Mild CCOC(=O)c1c(CSc2ccc(F)cc2)n(C)c2ccc(O)cc12 ZINC000169345882 FI Annotated Anodyne CCOC(=O)c1c(CSc2ccc(OC)cc2)n(C)c2ccc(O)cc12 ZINC000169345891 FI Annotated Anodyne CCOC(=O)c1c(CSc2ccccc2OC)n(C)c2ccc(O)cc12 ZINC000169345892 FI Annotated Anodyne CC[C@@H](Oc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1)C(=O)OC ZINC000169345898 FI Annotated Mild CC[C@H](Oc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1)C(=O)OC ZINC000169345899 FI Annotated Mild O=C1Nc2ccc(F)cc2[C@@H](O)C1(Cc1ccccc1)Cc1ccccc1 ZINC000169346068 FI Annotated Anodyne O=C1Nc2ccc(F)cc2[C@H](O)C1(Cc1ccccc1)Cc1ccccc1 ZINC000169346070 FI Annotated Anodyne COc1ccc2c(c1)[C@@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 ZINC000169346076 FI Annotated Anodyne COc1ccc2c(c1)[C@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 ZINC000169346077 FI Annotated Anodyne Cc1ccc2c(c1)[C@@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 ZINC000169346078 FI Annotated Anodyne Cc1ccc2c(c1)[C@H](O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 ZINC000169346079 FI Annotated Anodyne COc1cccc2c1NC(=O)C(Cc1ccccc1)(Cc1ccccc1)[C@@H]2O ZINC000169346081 FI Annotated Anodyne COc1cccc2c1NC(=O)C(Cc1ccccc1)(Cc1ccccc1)[C@H]2O ZINC000169346083 FI Annotated Anodyne CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@H](O)c2ccccc21 ZINC000169346093 FI Annotated Anodyne CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@@H](O)c2ccccc21 ZINC000169346094 FI Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 ZINC000169346511 FI Annotated Mild CCOC(=O)[C@H](C)Oc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 ZINC000169346512 FI Annotated Mild COC(=O)CCCCCCCCCCSc1ncc([N+](=O)[O-])n1C ZINC000169347027 FI Annotated Bother Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCCCC(=O)O ZINC000169347031 FI Annotated Bother CS(=O)(=O)Nc1ccc(Nc2cc(N=[N+]=[N-])nc3ccccc23)cc1 ZINC000169347082 FI Annotated Mild O=C1O[C@@H](c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1 ZINC000169347322 FI Annotated Anodyne O=C1O[C@H](c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1 ZINC000169347324 FI Annotated Anodyne COc1ccccc1NC(C)=C1C(=O)CC(c2c(F)cccc2F)CC1=O ZINC000169347533 FI Annotated Mild COc1ccccc1NC(C)=C1C(=O)CC(c2ccc(F)cc2)CC1=O ZINC000169347541 FI Annotated Mild Cc1ccc([C@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 ZINC000169347868 FI Annotated Anodyne COc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1OC ZINC000169348321 FI Annotated Anodyne N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2cccs2)[C@@H]2CCCC=C12 ZINC000169348697 FI Annotated Reactive Cc1c2c[n+](CCCCCN)ccc2c(C)c2c1c1cc(O)ccc1n2C ZINC000169349739 FI Annotated Bother Cc1ccc2c(c1)nc(CCc1nc(C)c3cccnn13)n2-c1ccccc1 ZINC000169349799 FI Annotated Anodyne CCCCCCCCN(CCCCCCCC)[C@@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169349898 FI Annotated Mild CCCCCCCCN(CCCCCCCC)[C@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169349900 FI Annotated Mild CCCCCCCCN(CCCCCCCC)[C@@H]1C=C[C@H](O)[C@@H](O)[C@@H]1O ZINC000169349902 FI Annotated Mild CCCCCCCCN(CCCCCCCC)[C@H]1C=C[C@H](O)[C@@H](O)[C@@H]1O ZINC000169349904 FI Annotated Mild O=C1Cc2c([nH]c3ccc(/C=C/C(=O)c4ccco4)cc23)-c2cccnc2N1 ZINC000169349948 FI Annotated Mild NC(=S)n1nc(Nc2nc(-c3ccccc3)co2)cc1-c1ccccc1 ZINC000169350079 FI Annotated Anodyne COc1cc(OC)n2cc(-c3ccc(NCc4ccccc4)cc3)nc2n1 ZINC000169350227 FI Annotated Anodyne Cc1cc(OCc2ccccc2)n2cc(-c3ccc([N+](=O)[O-])cc3)nc2n1 ZINC000169350232 FI Annotated Bother CCN[C@@H](c1ccnc(Nc2ccc(C#N)cc2)n1)c1ccccc1Cl ZINC000169350581 FI Annotated Mild CCN[C@H](c1ccnc(Nc2ccc(C#N)cc2)n1)c1ccccc1Cl ZINC000169350582 FI Annotated Mild CCCN[C@@H](c1ccc(C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 ZINC000169350583 FI Annotated Mild CCCN[C@H](c1ccc(C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 ZINC000169350584 FI Annotated Mild Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000169351035 FI Annotated Bother Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000169351036 FI Annotated Bother Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nnnn12 ZINC000169352550 FI Annotated Anodyne C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C[C@H]1C[C@H](C)C(=O)O1 ZINC000169352650 FI Annotated Anodyne C#CCn1c(-c2ccccc2)nc2c(N)nc(C#CCCCCCC)nc21 ZINC000169352930 FI Annotated Mild C=CCN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169354701 FI Annotated Mild C=CCN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169354703 FI Annotated Mild Cc1ccc(CN2[C@@H](C)[C@@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000169355536 FI Annotated Anodyne Cc1ccc(CN2[C@H](C)[C@@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000169355537 FI Annotated Anodyne CC(C)(C)c1ccc(O[C@@H]2[C@@H](O)CO[C@@H]2/C=C\C#Cc2ccccc2)cc1 ZINC000169355709 FI Annotated Mild CC(C)(C)c1ccc(O[C@H]2[C@@H](O)CO[C@@H]2/C=C\C#Cc2ccccc2)cc1 ZINC000169355710 FI Annotated Mild O=C(O)[C@@H]1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 ZINC000169363089 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(C(C)C)\C=C/[C@@](C)(O)CC/C=C(/C)CC[C@@H]2O[C@@]12C ZINC000169364031 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(C(C)C)\C=C/[C@@](C)(O)CC/C=C(\C)CC[C@@H]2O[C@@]12C ZINC000169364032 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169364160 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(/C)CC/C=C(\C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169364161 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(/C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169364162 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(/C)CC/C=C(/C)[C@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169364163 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169365555 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(/C)CC/C=C(\C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169365556 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(/C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169365557 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(/C)CC/C=C(/C)[C@@H](O)C[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169365558 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169365705 FI Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)C(O)=C2/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169365706 FI Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)C(O)=C2/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169365707 FI Annotated Mild CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000169366003 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000169366006 FI Annotated Anodyne CCCOC[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 ZINC000169367107 FI Annotated Mild CCCOC[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 ZINC000169367109 FI Annotated Mild CCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169367111 FI Annotated Mild CCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169367112 FI Annotated Mild CN1CC[C@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000169369011 FI Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C\C[C@@H](OC(C)=O)/C(C)=C\C[C@H]12 ZINC000169369905 FI Annotated Mild C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C\C[C@H]12 ZINC000169369907 FI Annotated Mild C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C\C[C@@H](OC(C)=O)/C(C)=C/C[C@H]12 ZINC000169369909 FI Annotated Mild CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370518 FI Annotated Mild CCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370519 FI Annotated Mild CCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370520 FI Annotated Mild CCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370521 FI Annotated Mild C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372229 FI Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372230 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372231 FI Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372232 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372537 FI Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372538 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372539 FI Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000169372540 FI Annotated Anodyne C=C1[C@H](NC)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H](C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000169373448 FI Annotated Mild Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(Br)cc12 ZINC000169426981 FI Annotated Anodyne COc1ccc2c(c1O)[C@@H](OC)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000169449010 FI Annotated Clean O=C1Oc2cc3occc3cc2[C@@H]2[C@H]1[C@@H]1C(=O)Oc3cc4occc4cc3[C@H]21 ZINC000169459097 FI Annotated Anodyne C[C@H](O)/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O ZINC000169622220 FI Annotated Anodyne C[C@@H](O)/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O ZINC000169622221 FI Annotated Anodyne C[C@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O ZINC000169622222 FI Annotated Anodyne C[C@@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O ZINC000169622223 FI Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3c2[C@@H]1CCCC3 ZINC000169639297 FI Annotated Anodyne COC(=O)c1cc2c(c(O)c1O)[C@H](C)CC[C@H]2[C@@H](C)CCC[C@H](C)CO ZINC000169640521 FI Annotated Clean CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@]46OC(=O)CC[C@]26[C@H]1N(C3)C5 ZINC000169643744 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(O)C(C)C ZINC000169644504 FI Annotated Anodyne CCCCCCCC[C@H]1[C@@H]2Cc3c(O)cc(C(=O)O)c4c3[C@@H]2[C@@H]1C(=O)C4 ZINC000169646387 FI Annotated Mild CC(C)(O)[C@@H]1CC[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@]23C)C[C@]12CCC(=O)O2 ZINC000169653649 FI Annotated Anodyne CC(=O)OC[C@H](O)[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000169675964 FI Annotated Anodyne O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 ZINC000169684765 FI Annotated Anodyne O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 ZINC000169684766 FI Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3ccccc32)[nH]c2cc(Br)ccc12 ZINC000169685093 FI Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3ccccc32)[nH]c2cc(Br)ccc12 ZINC000169685094 FI Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3cc(Br)ccc32)[nH]c2ccccc12 ZINC000169685095 FI Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3cc(Br)ccc32)[nH]c2ccccc12 ZINC000169685096 FI Annotated Anodyne CN1C(=O)[C@H](c2[nH]c3ccccc3c2N=O)c2ccc(Br)cc21 ZINC000169685097 FI Annotated Anodyne CN1C(=O)[C@@H](c2[nH]c3ccccc3c2N=O)c2ccc(Br)cc21 ZINC000169685098 FI Annotated Anodyne COc1cccc(-c2cn(C)c3c(/N=N/Cc4ccncc4)ncnc23)c1 ZINC000169685222 FI Annotated Clean CCCNc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 ZINC000169685240 FI Annotated Clean CCc1nn(-c2cccc(OC)c2)c2ncnc(/N=N/Cc3ccncc3)c12 ZINC000169685282 FI Annotated Clean COc1cccc(-n2nc(C)c3c(/N=N/[C@@H](C)c4ccncc4)ncnc32)c1 ZINC000169685287 FI Annotated Clean COc1cccc(-n2nc(C)c3c(/N=N/[C@H](C)c4ccncc4)ncnc32)c1 ZINC000169685288 FI Annotated Clean CCOC(=O)C(/C=N/c1ccc2sc3ccccc3c2c1)C(=O)OCC ZINC000169685572 FI Annotated Mild Clc1cc2c(cc1C/N=N/c1nnc3c(n1)[nH]c1ccccc13)OCO2 ZINC000169685588 FI Annotated Clean COc1ccc(/N=C2\C(=O)N(c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000169685751 FI Annotated Mild COc1ccc(/N=C2\C(=O)N(c3ccccc3)C(=O)[C@H]2c2ccccc2)cc1 ZINC000169685752 FI Annotated Mild Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1/N=N/c1ccc2ccccc2c1 ZINC000169686785 FI Annotated Clean Cc1[nH]n(-c2ccccc2)c(=S)c1/C=N/c1ccc([N+](=O)[O-])cc1O ZINC000169686834 FI Annotated Mild Cc1[nH]n(-c2ccccc2)c(=S)c1/C=N/c1cc([N+](=O)[O-])ccc1O ZINC000169686835 FI Annotated Mild Cc1cc([N+](=O)[O-])ccc1/N=C/c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000169686846 FI Annotated Mild COc1ccc(-n2c(O)c(/C=N/c3ccccc3)c3ccccc3c2=O)cc1 ZINC000169686874 FI Annotated Mild C=C(c1ccc(Br)cc1)c1sc(N2CCCC2)nc1O ZINC000169687313 FI Annotated Anodyne CCOc1ccccc1[C@@H]1c2c(-c3ccccc3)noc2N=C(N)[C@@H]1C#N ZINC000169687653 FI Annotated Mild CCOc1ccccc1[C@H]1c2c(-c3ccccc3)noc2N=C(N)[C@@H]1C#N ZINC000169687654 FI Annotated Mild O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)[C@@H]12 ZINC000169687742 FI Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)OC(=N)[C@@H](C#N)[C@@H]1C1CCCCC1 ZINC000169687754 FI Annotated Mild CCOC(=O)C1=C(c2ccccc2)OC(=N)[C@H](C#N)[C@@H]1C1CCCCC1 ZINC000169687755 FI Annotated Mild Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)[C@@H](C#N)C(=N)O2 ZINC000169687911 FI Annotated Mild Cc1[nH]nc2c1[C@H](c1ccc(-c3ccc(Cl)cc3)o1)[C@@H](C#N)C(=N)O2 ZINC000169687912 FI Annotated Mild C[C@@H]1CCc2c(c(O)n(-c3ccccc3OC(=O)c3ccccc3)c2O)C1 ZINC000169688175 FI Annotated Anodyne C[C@H]1CCc2c(c(O)n(-c3ccccc3OC(=O)c3ccccc3)c2O)C1 ZINC000169688176 FI Annotated Anodyne Cc1ccccc1-n1c(O)cc(Sc2nnc(-c3ccccc3)o2)c1O ZINC000169688239 FI Annotated Anodyne Cc1ccc(O)c(/N=C/c2c[c-](Cc3ccccc3)cc([N+](=O)[O-])c2=O)c1 ZINC000169688292 FI Annotated Mild COc1ccc(-c2csc(-c3c(O)cn(C(C)C)c3N)n2)cc1OC ZINC000169688299 FI Annotated Anodyne COc1cc(C/N=N/c2nc(C)nc3c2cnn3-c2ccccc2)ccc1O ZINC000169688300 FI Annotated Clean Cc1cc(/N=N/Cc2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1 ZINC000169688547 FI Annotated Clean O=C(O)c1cc(/N=N/Cc2ccc(N3CCOCC3)s2)ccc1Cl ZINC000169688559 FI Annotated Clean O=C1CCCC2=Nc3ccc4ncccc4c3[C@H](c3ccc(O)c(O)c3)[C@@H]12 ZINC000169688578 FI Annotated Clean O=C1CCCC2=Nc3ccc4ncccc4c3[C@@H](c3ccc(O)c(O)c3)[C@H]12 ZINC000169688579 FI Annotated Clean COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C/N=N/c1ccccc1 ZINC000169688976 FI Annotated Clean c1ccc(Nc2nc(/N=N/Cc3ccco3)nc(N3CCCCC3)n2)cc1 ZINC000169689324 FI Annotated Clean Cc1cc(C)n(Cc2cc(O)n(-c3ccc(Cl)c(Cl)c3)c2O)n1 ZINC000169689350 FI Annotated Anodyne Oc1cc(SCc2nc3ccccc3[nH]2)c(O)n1-c1ccc(F)cc1 ZINC000169689357 FI Annotated Anodyne COc1cccc(C/N=N/c2cc(C)nc(-c3ccccc3O)n2)c1O ZINC000169689545 FI Annotated Clean Cc1ccc(F)c(NC(=O)[C@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000169689563 FI Annotated Mild CCOC(=O)[C@@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)cc1 ZINC000169689620 FI Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)cc1 ZINC000169689621 FI Annotated Anodyne Cc1cc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)[C@@H](C#N)C(=N)O3)c(C)s1 ZINC000169689720 FI Annotated Mild Cc1cc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)[C@@H](C#N)C(=N)O3)c(C)s1 ZINC000169689721 FI Annotated Mild CC[N+](C)(CC)CCC[C@@H](N=O)C(O)(c1ccccc1)c1ccccc1 ZINC000169689847 FI Annotated Bother CC[N+](C)(CC)CCC[C@H](N=O)C(O)(c1ccccc1)c1ccccc1 ZINC000169689848 FI Annotated Bother Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 ZINC000169689869 FI Annotated Anodyne Oc1cc(N2CC=C(c3ccc(F)cc3)CC2)c(O)n1-c1ccc(F)cc1 ZINC000169689975 FI Annotated Anodyne C[C@@H](/N=N/c1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1 ZINC000169690382 FI Annotated Clean C[C@H](/N=N/c1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1 ZINC000169690383 FI Annotated Clean O=C1CCCCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000169690479 FI Annotated Anodyne Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)[C@@H]1C(=O)CCCC1=N2 ZINC000169690522 FI Annotated Anodyne Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)[C@@H]1C(=O)CCCC1=N2 ZINC000169690523 FI Annotated Anodyne Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)[C@H]1C(=O)CCCC1=N2 ZINC000169690524 FI Annotated Anodyne Cc1nn(-c2ccccn2)c2c1[C@H](c1ccsc1)[C@H]1C(=O)CCCC1=N2 ZINC000169690525 FI Annotated Anodyne CCOc1cc([C@@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O ZINC000169690703 FI Annotated Anodyne CCOc1cc([C@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O ZINC000169690704 FI Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1F)[C@@H](C#N)C(=N)O2 ZINC000169690897 FI Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1F)[C@@H](C#N)C(=N)O2 ZINC000169690898 FI Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@@H]3c2ccc(F)cc2)cc1 ZINC000169690936 FI Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@H]3c2ccc(F)cc2)cc1 ZINC000169690938 FI Annotated Mild Cc1ccc(SCc2n[nH]c3c2[C@@H](c2ccco2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169691039 FI Annotated Mild Cc1ccc(SCc2n[nH]c3c2[C@H](c2ccco2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169691040 FI Annotated Mild Cc1cc(-c2n[nH]c3c2[C@@H](c2ccsc2)[C@@H](C#N)C(=N)O3)c(C)s1 ZINC000169691055 FI Annotated Mild Cc1cc(-c2n[nH]c3c2[C@H](c2ccsc2)[C@@H](C#N)C(=N)O3)c(C)s1 ZINC000169691056 FI Annotated Mild COc1cc(-c2nc3c[nH]ccn-3/c2=N\c2ccc(C(C)C)cc2)ccc1O ZINC000169691522 FI Annotated Anodyne CCCN1CCC2(CC1)c1sc3nc(C)cc(C)c3c1OC(=N)[C@@H]2C#N ZINC000169691532 FI Annotated Mild CCCN1CCC2(CC1)c1sc3nc(C)cc(C)c3c1OC(=N)[C@H]2C#N ZINC000169691534 FI Annotated Mild C[C@@H]1C=CCc2c1c(O)n(-c1ccccc1OC(=O)c1cccs1)c2O ZINC000169691552 FI Annotated Anodyne C[C@H]1C=CCc2c1c(O)n(-c1ccccc1OC(=O)c1cccs1)c2O ZINC000169691553 FI Annotated Anodyne Cc1ccc([C@@H]2C3=C(CCCC3=O)N(c3cccnc3)C(=N)[C@@H]2C#N)c(C)c1 ZINC000169691554 FI Annotated Mild Cc1ccc([C@H]2C3=C(CCCC3=O)N(c3cccnc3)C(=N)[C@@H]2C#N)c(C)c1 ZINC000169691555 FI Annotated Mild CC(C)(C)/N=N/Cc1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12 ZINC000169691607 FI Annotated Clean O=c1c2c(-c3ccccc3)[nH]n(-c3ccccc3)c-2c(O)n1-c1ccccc1 ZINC000169691720 FI Annotated Anodyne Oc1cc(N2CC=C(c3ccccc3)CC2)c(O)n1-c1ccc(F)cc1 ZINC000169691762 FI Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12 ZINC000169692013 FI Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12 ZINC000169692014 FI Annotated Anodyne Cc1cc(O)n(-c2ccc(NCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1O ZINC000169692314 FI Annotated Bother CCc1ccccc1/N=C/c1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000169693280 FI Annotated Mild N#C[C@@H]1C(=S)N=C(N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCC2 ZINC000169693840 FI Annotated Mild N#C[C@H]1C(=S)N=C(N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCC2 ZINC000169693841 FI Annotated Mild N#C[C@@H]1C(=S)N=C(N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCC2 ZINC000169693842 FI Annotated Mild N#C[C@H]1C(=S)N=C(N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCC2 ZINC000169693843 FI Annotated Mild CCOC(=O)CC(C)(C)[C-](C)/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169693871 FI Annotated Clean NS/C=N/N=C(\CCc1ccccc1)c1cccc(Br)c1 ZINC000169697000 FI Annotated Mild Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 ZINC000169700147 FI Annotated Anodyne Cc1nc(Nc2n[nH]c3ncc(F)cc23)cc(C2CCC(F)(F)CC2)n1 ZINC000169700828 FI Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)c(Cl)c3)cc2)CO1 ZINC000169701162 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O ZINC000169702033 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O ZINC000169702034 FI Annotated Anodyne CCc1[nH]c(=O)c(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12 ZINC000169703382 FI Annotated Anodyne CC1=NN=C(c2cc3c(F)cccc3s2)c2cc3oc(=O)[nH]c3cc2C1 ZINC000169703948 FI Annotated Anodyne CC1=NN=C(c2cc3ccc(F)cc3s2)c2cc3oc(=O)[nH]c3cc2C1 ZINC000169703950 FI Annotated Anodyne C=CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21 ZINC000169704836 FI Annotated Mild CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21 ZINC000169704955 FI Annotated Anodyne CN1C(=O)CCc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cccc21 ZINC000169704956 FI Annotated Anodyne CN1C(=O)CCc2c(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cccc21 ZINC000169704957 FI Annotated Anodyne Cc1cc2c(NC(=O)N[C@H]3CC[C@@H](c4ncc(C)o4)C3)c(F)ccc2cn1 ZINC000169704981 FI Annotated Anodyne Cc1cc2c(NC(=O)N[C@@H]3CC[C@H](c4ncc(C)o4)C3)c(F)ccc2cn1 ZINC000169704982 FI Annotated Anodyne O=C1N=Nc2nc(CNCc3ccc(Cl)c(Cl)c3)nc3cccc1c23 ZINC000169710138 FI Annotated Anodyne O=C1N=Nc2nc(CNCc3cccc(C(F)(F)F)c3)nc3cccc1c23 ZINC000169710140 FI Annotated Anodyne O=C1N=Nc2nc(CN3CCC(c4ccccc4)CC3)nc3cccc1c23 ZINC000169710162 FI Annotated Anodyne O=CN[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711168 FI Annotated Anodyne Cc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4C[C@@H]3C)ncnn12 ZINC000169711748 FI Annotated Anodyne Cc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4C[C@H]3C)ncnn12 ZINC000169711749 FI Annotated Anodyne CCOC(=O)C(=O)C/C=C(\Sc1ccccc1)C(=O)c1ccccc1 ZINC000169712682 FI Annotated Mild CCOC(=O)C(=O)C/C=C(/Sc1ccccc1)C(=O)c1ccccc1 ZINC000169712683 FI Annotated Mild CCOC(=O)/C(=C\CC(=O)C(=O)c1ccccc1)Sc1ccccc1 ZINC000169712691 FI Annotated Clean CCOC(=O)/C(=C/CC(=O)C(=O)c1ccccc1)Sc1ccccc1 ZINC000169712692 FI Annotated Clean Oc1oc(CCC#Cc2ccc(Cc3ccc(F)cc3)s2)c(O)c1O ZINC000169715566 FI Annotated Mild N#C[C@@H](C(=N)Sc1ccccc1N)[C@@H](C#N)c1nc2ccccc2s1 ZINC000169715853 FI Annotated Mild N#C[C@@H](c1nc2ccccc2s1)[C@H](C#N)C(=N)Sc1ccccc1N ZINC000169715854 FI Annotated Mild Cc1c(/C=C/CCNC(=O)OC(C)(C)C)c(O)c2c(O)cccc2c1O ZINC000169716721 FI Annotated Anodyne O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3[C@H]3C[C@@H]23)c2ccccc12 ZINC000169718563 FI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@@H]3C[C@H]23)c2ccccc12 ZINC000169718564 FI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@H]3C[C@H]32)c2ccccc12 ZINC000169718565 FI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c2ccccc12 ZINC000169718566 FI Annotated Bother CCCN(CCC)c1nccc([C@@H](C#N)c2nc3ccccc3s2)n1 ZINC000169718877 FI Annotated Mild CCCN(CCC)c1nccc([C@H](C#N)c2nc3ccccc3s2)n1 ZINC000169718878 FI Annotated Mild N#C[C@H](c1cc(Br)nc(Cl)n1)c1nc2ccccc2s1 ZINC000169718886 FI Annotated Mild N#C[C@@H](c1cc(Br)nc(Cl)n1)c1nc2ccccc2s1 ZINC000169718887 FI Annotated Mild CC(=O)c1cccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)c1 ZINC000169720207 FI Annotated Anodyne CC(=O)c1cccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)c1 ZINC000169720208 FI Annotated Anodyne CC(=O)c1cccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)c1 ZINC000169720209 FI Annotated Anodyne CC(=O)c1cccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)c1 ZINC000169720210 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)cc1 ZINC000169720235 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)cc1 ZINC000169720236 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)cc1 ZINC000169720237 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)cc1 ZINC000169720238 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@@H](C)C3=O)cc2)s1 ZINC000169720259 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@@H](C)C3=O)cc2)s1 ZINC000169720260 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@@]3(C)SC(=O)[C@H](C)C3=O)cc2)s1 ZINC000169720261 FI Annotated Anodyne CC(=O)c1ccc(-c2ccc(C[C@]3(C)SC(=O)[C@H](C)C3=O)cc2)s1 ZINC000169720262 FI Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C[C@@H]1C(=O)C(=O)C=C(OC)C1=O ZINC000169720400 FI Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C[C@H]1C(=O)C(=O)C=C(OC)C1=O ZINC000169720401 FI Annotated Mild CCOC(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1cccc(Cl)c1Cl ZINC000169720812 FI Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1cccc(Cl)c1Cl ZINC000169720813 FI Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1cccc(Cl)c1Cl ZINC000169720814 FI Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1cccc(Cl)c1Cl ZINC000169720815 FI Annotated Anodyne CC1(C)CC(=O)[C@@H]2C(=Nc3nc4c(c(N)c3[C@@H]2c2ccncc2)CCCC4)C1 ZINC000169720989 FI Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3nc4c(c(N)c3[C@@H]2c2ccncc2)CCCC4)C1 ZINC000169720990 FI Annotated Anodyne CC1(C)CC(=O)[C@@H]2C(=Nc3nc4c(c(N)c3[C@H]2c2ccncc2)CCCC4)C1 ZINC000169720991 FI Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3nc4c(c(N)c3[C@H]2c2ccncc2)CCCC4)C1 ZINC000169720992 FI Annotated Anodyne O=[N+]([O-])c1ccc(-c2cnc(/N=N/[CH-]c3cccc([N+](=O)[O-])c3)nc2)cc1 ZINC000169721078 FI Annotated Clean COC1=CC(=O)C(=O)[C@@H](C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O ZINC000169721125 FI Annotated Mild COC1=CC(=O)C(=O)[C@H](C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O ZINC000169721126 FI Annotated Mild CC(C)C[C@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC1CCC(C)CC1 ZINC000169721182 FI Annotated Anodyne CC(C)C[C@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC1CCC(C)CC1 ZINC000169721183 FI Annotated Anodyne CC(C)C[C@H]1C[N+]2=C(NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000169721184 FI Annotated Anodyne CC(C)C[C@H]1C[N+]2=C(NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000169721185 FI Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@H]2/C(=N/c1ccccc1)c1ccccc1 ZINC000169721338 FI Annotated Mild COC(=O)c1ccc2c(c1)NC(=O)[C@H]2/C(=N/c1ccccc1)c1ccccc1 ZINC000169721339 FI Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000169721867 FI Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000169721868 FI Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1Cc1ccccc1 ZINC000169721877 FI Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1Cc1ccccc1 ZINC000169721878 FI Annotated Mild O=C(O)/C(Cc1ccccc1)=N/c1c(Cl)c(O)c2ccccc2c1O ZINC000169722272 FI Annotated Mild O=C(O)c1cccc(-c2ccc(C/N=N/c3ccc([N+](=O)[O-])cn3)o2)c1 ZINC000169722484 FI Annotated Clean Cc1cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc(C)c1C#N ZINC000169722684 FI Annotated Mild O=c1[nH]c(O)c(Cc2ccc(Oc3cc4ccccc4cn3)cc2)s1 ZINC000169722716 FI Annotated Anodyne COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2Cl)cc1OC ZINC000169723212 FI Annotated Clean COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1OC ZINC000169723243 FI Annotated Clean O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccc(Cl)cc12 ZINC000169723361 FI Annotated Bother CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000169724272 FI Annotated Anodyne CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000169724273 FI Annotated Anodyne CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000169724274 FI Annotated Anodyne CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000169724275 FI Annotated Anodyne O=c1cc(CCl)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12 ZINC000169724618 FI Annotated Reactive O=NCC1=NCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169726195 FI Annotated Anodyne Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169727108 FI Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169727109 FI Annotated Mild O=C1Nc2ccc(F)cc2[C@@]12C[C@@H](c1ccc(Br)cc1)N=N2 ZINC000169727678 FI Annotated Anodyne O=C1Nc2ccc(F)cc2[C@]12C[C@@H](c1ccc(Br)cc1)N=N2 ZINC000169727679 FI Annotated Anodyne O=C1Nc2ccc(F)cc2[C@@]12C[C@H](c1ccc(Br)cc1)N=N2 ZINC000169727680 FI Annotated Anodyne O=C1Nc2ccc(F)cc2[C@]12C[C@H](c1ccc(Br)cc1)N=N2 ZINC000169727681 FI Annotated Anodyne Cc1cc(/N=N/Cc2ccccc2[N+](=O)[O-])c2cc3c(cc2n1)OCO3 ZINC000169727993 FI Annotated Clean Cc1cc(/N=N/Cc2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 ZINC000169727995 FI Annotated Clean O=c1cc(O)cc2oc(C(c3ccccc3)c3ccccc3)c(O)c(O)c1-2 ZINC000169729453 FI Annotated Anodyne C[C@H]1c2[nH]c3c(Br)cccc3c2Cc2c(O)n(C)c(=S)n21 ZINC000169729595 FI Annotated Anodyne C[C@H]1c2[nH]c3cc(Br)ccc3c2Cc2c(O)n(C)c(=S)n21 ZINC000169729596 FI Annotated Anodyne C[C@H]1c2[nH]c3ccc(Br)cc3c2Cc2c(O)n(C)c(=S)n21 ZINC000169729597 FI Annotated Anodyne C[C@H]1c2[nH]c3cccc(Br)c3c2Cc2c(O)n(C)c(=S)n21 ZINC000169729598 FI Annotated Anodyne CCCC/C=C/[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O ZINC000169729685 FI Annotated Anodyne CCCC/C=C/[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O ZINC000169729686 FI Annotated Anodyne CCN1C/C(=C\c2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169730327 FI Annotated Anodyne CCN1C/C(=C\c2ccccc2)C2=NC(=S)N[C@H](c3ccccc3)[C@@H]2C1 ZINC000169730328 FI Annotated Anodyne CCOC(=O)c1c(O)csc1Nc1ccc(Br)cc1C ZINC000169730435 FI Annotated Clean Oc1cc(/N=C/Cc2cccc(Br)c2)c(O)c2ncccc12 ZINC000169730514 FI Annotated Mild Cc1cccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000017108687 FI Annotated Mild in-man COc1ccc2c(c1)sc1nc(=O)c(-c3c(C)cc(C)cc3C)c(O)n12 ZINC000017112038 FI Annotated Anodyne O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000017192246 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@@H](c4ccc5ccccc5c43)[C@@H]2C(=O)N1c1ccccc1 ZINC000017193200 FI Annotated Anodyne CC(C)Cc1ccc([C@@H](C)/C=C2\CC[C@@H](CN3CCOCC3)C2=O)cc1 ZINC000017210401 FI Annotated Mild CC(C)Cc1ccc([C@H](C)/C=C2\CC[C@@H](CN3CCOCC3)C2=O)cc1 ZINC000017210404 FI Annotated Mild N#C/N=C(/NCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000017217485 FI Annotated Mild O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@@H]3[C@]12c1ccccc1 ZINC000017218614 FI Annotated Anodyne C[C@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 ZINC000017250826 FI Annotated Anodyne O=C1C[C@H]2S[C@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 ZINC000017261155 FI Annotated Anodyne N#C[C@@H]1C(=N)S[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccncc1 ZINC000017478501 FI Annotated Mild N#C[C@H]1C(=N)S[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccncc1 ZINC000017478505 FI Annotated Mild C[Si](C)(C)C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1 ZINC000170011318 FI Annotated Mild Cc1ncc(CO)c2c(Nc3ccccn3)c(NC[Si](C)(C)C)oc12 ZINC000170168243 FI Annotated Anodyne Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511633 FI Annotated Anodyne Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511635 FI Annotated Anodyne Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511637 FI Annotated Anodyne Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511639 FI Annotated Anodyne CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N[C@@H]2c2cccc(O)c2O)C1 ZINC000017730939 FI Annotated Clean CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3N[C@@H]2c2cccc(O)c2O)C1 ZINC000017730941 FI Annotated Clean CNC(=O)Cc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 ZINC000175502533 FI Annotated Clean CCCCN(CCCC)C1=Nc2ccccc2N/C1=C(/C#N)C(=O)OCC ZINC000018045247 FI Annotated Reactive CCc1noc(C)c1C(=O)N1CCS/C1=N\c1cccc(Cl)c1C ZINC000018045546 FI Annotated Mild Oc1ccc(Cl)cc1/C=N/CCC/N=C/c1cc(Cl)ccc1O ZINC000018061088 FI Annotated Mild CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@H]1[C@H]2c1ccccc1 ZINC000018098742 FI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@@H]1[C@@H]2c1ccccc1 ZINC000018175779 FI Annotated Anodyne CCSc1nnc2nc3c(c(O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000018178452 FI Annotated Anodyne Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018188080 FI Annotated Anodyne Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018188082 FI Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018205529 FI Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000018205531 FI Annotated Anodyne Cc1noc(C)c1COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000018270627 FI Annotated Anodyne N#Cc1ccc(NC(=S)/N=C(/N)Cc2c(Cl)cccc2Cl)cc1 ZINC000018430815 FI Annotated Mild in-vivo COCC1(NC(=O)c2ccc([C@@H]3CCCN3C3CCC3)s2)CCCC1 ZINC000019147392 FI Annotated Anodyne COCC1(NC(=O)c2ccc([C@H]3CCCN3C3CCC3)s2)CCCC1 ZINC000019147395 FI Annotated Anodyne Cc1nccnc1-c1cccc(-c2ccn(Cc3cccc(C#N)c3)n2)c1 ZINC000019225533 FI Annotated Mild CCCCCCCCNC1=NC(C)(C)NC(NCc2ccc(C)cc2)=N1 ZINC000019332455 FI Annotated Mild c1ccc(CNC2CN(C3c4ccccc4CCc4ccccc43)C2)cc1 ZINC000019368344 FI Annotated Anodyne Cc1noc2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(C(F)F)c12 ZINC000019564380 FI Annotated Anodyne Cc1noc2nc([C@H]3CCCN(Cc4cccnc4)C3)cc(C(F)F)c12 ZINC000019564383 FI Annotated Anodyne O=C(NCc1ccncc1)c1ccc([C@@H]2CCCN2Cc2ccco2)s1 ZINC000019812966 FI Annotated Anodyne O=C(NCc1ccncc1)c1ccc([C@H]2CCCN2Cc2ccco2)s1 ZINC000019812969 FI Annotated Anodyne COc1cc(C)c(-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc1C(C)C ZINC000019835760 FI Annotated Anodyne CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000019867247 FI Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000019867250 FI Annotated Mild C/C(=N\NC(=O)COc1ccccc1)c1ccc(-n2c(C)ccc2C)cc1 ZINC000019887698 FI Annotated Reactive NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)s1 ZINC000019953766 FI Annotated Anodyne NC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3s2)s1 ZINC000019953771 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(C(C)C)/C=C\[C@@](C)(O)CC/C=C(/C)CC[C@@H]2O[C@@]12C ZINC000195079224 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(C(C)C)/C=C\[C@@](C)(O)CC/C=C(\C)CC[C@@H]2O[C@@]12C ZINC000195079244 FI Annotated Anodyne CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@]2(C)[C@H]1O ZINC000195109210 FI Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(C#C[Si](C)(C)C)ccc2C1=O ZINC000195112534 FI Annotated Mild C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C[C@@H](O)c1cocn1 ZINC000195138883 FI Annotated Reactive C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C[C@H](O)c1cocn1 ZINC000195150181 FI Annotated Reactive CCN(CC)[P+](N(C)C[Si](C)(C)C)(N(CC)CC)N(CC)CC ZINC000195194621 FI Annotated Mild Cc1cc(C)c(B(c2c(C)cc(C)cc2C)N(C)c2ccc(O)cc2)c(C)c1 ZINC000195201228 FI Annotated Unstable Cc1cc(C)c(B(Nc2ccc(O)cc2)c2c(C)cc(C)cc2C)c(C)c1 ZINC000195207492 FI Annotated Unstable C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000195239798 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23O4 ZINC000195239809 FI Annotated Anodyne Fc1ccc([C@@H]2OO[C@@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000195276668 FI Annotated Reactive Fc1ccc([C@H]2OO[C@@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000195276678 FI Annotated Reactive C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 ZINC000195295868 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23O4 ZINC000195295879 FI Annotated Anodyne Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)C[C@H]2C)c1 ZINC000195320267 FI Annotated Anodyne Cc1cccc(N2CCN(Cc3coc(-c4ccccc4F)n3)C[C@H]2C)c1 ZINC000195336630 FI Annotated Anodyne COc1cccc2c1[C@H](/C=C\c1ccccc1)[C@H]([C@@H](O)CN=[N+]=[N-])OC2 ZINC000195340999 FI Annotated Clean COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@H]([C@@H](O)CN=[N+]=[N-])OC2 ZINC000195341005 FI Annotated Clean C[C@@H]1CC[C@H]2[C@@H](C)CO[B-]3(OC[C@H](C)[C@@H]4CC[C@@H](C)C[C@H]4O3)O[C@@H]2C1 ZINC000195354298 FI Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccccc3[C@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000195369396 FI Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccccc3[C@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000195369405 FI Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccccc3[C@@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000195369413 FI Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccccc3[C@@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000195369421 FI Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@@H]1[C@@H]1CNC[C@H]21 ZINC000195377163 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@@H]1[C@@H]1CNC[C@@H]12 ZINC000195377171 FI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@@H]1CNC[C@@H]12 ZINC000195377179 FI Annotated Mild C=C1[C@H]2CC[C@H]3[C@]4(C)C[C@H](O)[C@H](C(C)=O)[C@@]4(C)CC[C@@]34C[C@]24CC[C@H]1NC ZINC000195379327 FI Annotated Mild CC(=O)OC[C@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000195381072 FI Annotated Anodyne CCCCOC(=O)/C=C/C1=C(C)C2=Cc3c(C)cc(C)n3[B-](F)(F)[N+]2=C1C ZINC000195411069 FI Annotated Anodyne C=CCN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000195449560 FI Annotated Mild C=CCN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000195449566 FI Annotated Mild C[Si](C)(N[Si](C)(C)OCCc1ccccc1)OCCc1ccccc1 ZINC000195455035 FI Annotated Reactive COC(=O)N[C@@H]1C[C@H]2CC[C@]1(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C2 ZINC000195478197 FI Annotated Reactive C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1CC(=O)OCC ZINC000195483141 FI Annotated Reactive CC(C)(C)OC/C=C1\C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 ZINC000195485551 FI Annotated Reactive O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)c1[nH]c3ccccc3c1[C@H]1CCC[C@H]12 ZINC000195502335 FI Annotated Anodyne C=C(C)[C@H]1CC/C(C)=C\CC[C@]2(C)O[C@H]2CC/C(COC(C)=O)=C\[C@@H]1O ZINC000195502456 FI Annotated Mild COC(=O)[C@@H]1C[C@@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2 ZINC000195517134 FI Annotated Reactive COC(=O)[C@H]1C[C@@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2 ZINC000195517136 FI Annotated Reactive COC(=O)[C@@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2 ZINC000195517138 FI Annotated Reactive COC(=O)[C@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2 ZINC000195517140 FI Annotated Reactive C/C=C(/C)C(=O)c1c(OC)c2c(c3c(C)cc(=O)oc13)OC(C)(C)C=C2 ZINC000195777908 FI Annotated Mild C[Si](C)(C)C[C@](C#N)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000196024352 FI Annotated Mild C[Si](C)(C)C[C@@](C#N)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000196024364 FI Annotated Mild Cc1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1Cl ZINC000196125474 FI Annotated Anodyne C[Si](C)(C)CC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000196164103 FI Annotated Anodyne C[Si](C)(C)CC[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000196164110 FI Annotated Anodyne CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000196482124 FI Annotated Anodyne CCOC(=O)OCC[C@@]1(C)C[C@H](O)CC[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000196926046 FI Annotated Reactive CCOC(=O)OCC[C@@]1(C)C[C@@H](O)CC[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000196926058 FI Annotated Reactive COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)CC[C@@]53C)CC[C@@H]41 ZINC000197156758 FI Annotated Anodyne C=C(C)[C@H]1/C=C\[C@@H](C)C(=O)[C@H]2C[C@@H](C)[C@@H](OC(C)=O)/C2=C/[C@@H](C)C(=O)C1 ZINC000197398034 FI Annotated Mild CC(=O)O[C@@H]1C[C@@H](/C(C)=C\CC=C(C)C)[C@H]2[C@@H]3C(=O)C[C@H](OC[C@@H]12)[C@H]3C ZINC000197682935 FI Annotated Anodyne CC(C)(C)c1ccc(O[C@H]2[C@H](/C=C\C#Cc3ccccc3)OC[C@H]2O)cc1 ZINC000198018325 FI Annotated Mild C=C1CC[C@H]2[C@@H](c3c(C)c(O)c4c(c31)C(=O)[C@H](C)C4)[C@@]2(C)COC(C)=O ZINC000198351395 FI Annotated Mild CCOc1ccc(CCNC(=O)c2cc3ccsc3n2C)cc1OCC ZINC000198386026 FI Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2CC)cc1OC ZINC000198397402 FI Annotated Anodyne CCOc1cc(CCNC(=O)c2cc3sccc3n2CC)ccc1OC ZINC000198397443 FI Annotated Anodyne N#Cc1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Br)cc1 ZINC000198474456 FI Annotated Mild O=c1c2ccccc2sc2cc(OC[C@H](S)CCl)cc(O)c12 ZINC000198496422 FI Annotated Reactive O=c1c2ccccc2sc2cc(OC[C@@H](S)CCl)cc(O)c12 ZINC000198496440 FI Annotated Reactive CC[C@@H](C)/C=C(C)/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000198908885 FI Annotated Mild C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/C(=O)/N=C(\N)NC(=O)C=C(C)C ZINC000199035543 FI Annotated Mild CCCCN1C(=O)C2=C(c3ccc(C)cc3)Nc3ccccc3CN2C1=O ZINC000199392640 FI Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccnc2)c1C(=O)c1ccccc1 ZINC000199710049 FI Annotated Anodyne COC(=O)[C@]1(CC(C)C)NC=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000199721234 FI Annotated Mild Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)N(c1ccccc1)C2=O ZINC000199729611 FI Annotated Anodyne Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(c1ccccc1)C2=O ZINC000199729632 FI Annotated Anodyne Cc1[nH]nc2c1[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C2=O ZINC000199729657 FI Annotated Anodyne Cc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C2=O ZINC000199729676 FI Annotated Anodyne COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000199730222 FI Annotated Anodyne COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000199730237 FI Annotated Anodyne COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1-c1ccc(F)cc1 ZINC000199735163 FI Annotated Anodyne COC(=O)N1Cc2ccnnc2C[C@H]1c1ccccc1-c1ccc(F)cc1 ZINC000199735183 FI Annotated Anodyne CCCC[C@H]1O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2N1C ZINC000199737584 FI Annotated Anodyne CCCC[C@@H]1O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2N1C ZINC000199737615 FI Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C[C@@H]12 ZINC000199737810 FI Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4CCN3C[C@@H]12 ZINC000199740068 FI Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@@H]12 ZINC000199740907 FI Annotated Anodyne CC(C)[C@]12/C=C/[C@](C)(O)CC/C=C(\CO)CC[C@H](Cl)[C@](C)(CC1)O2 ZINC000199852537 FI Annotated Reactive CC(=O)O[C@H]1C[C@@]2(O)C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H](C)[C@H]12 ZINC000199898747 FI Annotated Anodyne CCCCCCCC1=Cc2cc3c(c(O)c2CO1)C(=O)C(=O)C(OC)=C3 ZINC000199901908 FI Annotated Mild O=C1Nc2ccc(Cl)cc2N(CC2CC2)[C@]1(C#CC1CC1)C(F)(F)F ZINC000002008762 FI Annotated Mild CCCOP(=S)(OCCC)SCC(=O)N1CCCC[C@H]1C ZINC000002014850 FI Annotated Reactive in-vitro CCCOP(=S)(OCCC)SCC(=O)N1CCCC[C@@H]1C ZINC000002014851 FI Annotated Reactive in-vitro CSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000002038627 FI Annotated Anodyne CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 ZINC000002121759 FI Annotated Anodyne O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000002192380 FI Annotated Mild COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C ZINC000002243721 FI Annotated Reactive in-vitro CCCSc1nnc2nc3c(c(O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000002246473 FI Annotated Anodyne CCCSc1nnc2nc3c(c(O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000002246474 FI Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC(=O)N2 ZINC000002456266 FI Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC(=O)N2 ZINC000002456268 FI Annotated Anodyne CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002456364 FI Annotated Anodyne CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456367 FI Annotated Anodyne CCCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002456372 FI Annotated Anodyne CCCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456374 FI Annotated Anodyne O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456402 FI Annotated Anodyne O=C1CN(C(=O)C2CCCC2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456403 FI Annotated Anodyne CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002456422 FI Annotated Anodyne CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456424 FI Annotated Anodyne O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000002456584 FI Annotated Anodyne O=C1CN(C(=O)C2CCCC2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000002456586 FI Annotated Anodyne O=C1CN(C(=O)c2cccs2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456722 FI Annotated Anodyne O=C1CN(C(=O)c2cccs2)[C@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456723 FI Annotated Anodyne COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2cccnc2)n1 ZINC000002458850 FI Annotated Anodyne COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl ZINC000002468473 FI Annotated Anodyne COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1Cl ZINC000002468475 FI Annotated Anodyne COc1cc(OC)c(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1Cl ZINC000002468476 FI Annotated Anodyne COc1cc(OC)c(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1Cl ZINC000002468478 FI Annotated Anodyne COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1OC ZINC000002468483 FI Annotated Anodyne COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1OC ZINC000002468485 FI Annotated Anodyne COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1OC ZINC000002468488 FI Annotated Anodyne CSc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002468584 FI Annotated Bother CSc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002468586 FI Annotated Bother CSc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002468587 FI Annotated Bother CSc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002468589 FI Annotated Bother CSc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 ZINC000002468590 FI Annotated Bother CSc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 ZINC000002468591 FI Annotated Bother CSc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 ZINC000002468593 FI Annotated Bother C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000002468955 FI Annotated Mild C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000002468957 FI Annotated Mild C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000002468958 FI Annotated Mild CCOc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000002471814 FI Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000002471816 FI Annotated Anodyne CCOc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000002471820 FI Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000002471919 FI Annotated Anodyne CCOc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000002471921 FI Annotated Anodyne CCOc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3ncnn32)cc1 ZINC000002471923 FI Annotated Anodyne CCOc1ccccc1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 ZINC000002471926 FI Annotated Anodyne CCOc1ccccc1[C@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 ZINC000002471928 FI Annotated Anodyne CCOc1ccccc1[C@@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 ZINC000002471929 FI Annotated Anodyne Cc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002471931 FI Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002471933 FI Annotated Anodyne Cc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002471935 FI Annotated Anodyne CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 ZINC000002472049 FI Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 ZINC000002472050 FI Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 ZINC000002472053 FI Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 ZINC000002472174 FI Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 ZINC000002472176 FI Annotated Anodyne CCc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 ZINC000002472178 FI Annotated Anodyne CC(C)c1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 ZINC000002472339 FI Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 ZINC000002472341 FI Annotated Anodyne CC(C)c1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 ZINC000002472343 FI Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 ZINC000002472345 FI Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472385 FI Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472387 FI Annotated Anodyne COc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472390 FI Annotated Anodyne Cc1cc(C)c(C#N)c(SCc2nc3ccccn3c2Br)n1 ZINC000002479391 FI Annotated Mild COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 ZINC000002481180 FI Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCOc1ccccc1 ZINC000002483516 FI Annotated Anodyne Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nnc(SC(C)C)n21 ZINC000002483750 FI Annotated Anodyne CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCCO ZINC000002483774 FI Annotated Anodyne COCCNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 ZINC000002483855 FI Annotated Anodyne O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cc(F)ccc1Cl ZINC000002485261 FI Annotated Bother O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cc(F)ccc1Cl ZINC000002485262 FI Annotated Bother O=C(COc1ccc(Cl)cc1)OCc1csc2c1C1CCN2CC1 ZINC000002486184 FI Annotated Anodyne COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000002490090 FI Annotated Anodyne O=C1CN(C(=O)c2ccccc2)[C@@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002494124 FI Annotated Anodyne O=C1CN(C(=O)c2ccccc2)[C@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002494127 FI Annotated Anodyne Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl ZINC000002498656 FI Annotated Bother Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl ZINC000002498658 FI Annotated Bother Cc1c(Cl)cccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498661 FI Annotated Bother Cc1c(Cl)cccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498664 FI Annotated Bother Cc1c(Cl)cccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498666 FI Annotated Bother Cc1ccc(Cl)cc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498681 FI Annotated Bother Cc1ccc(Cl)cc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498683 FI Annotated Bother Cc1ccc(Cl)cc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002498685 FI Annotated Bother CC[C@H]1CC[C@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000002499510 FI Annotated Anodyne CN(c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1)C1CCCCC1 ZINC000002499566 FI Annotated Anodyne CCCCCCN(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000002499664 FI Annotated Anodyne CCCCCCN(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000002499666 FI Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000002499911 FI Annotated Anodyne COc1cc(/C=C\c2cc(C(F)(F)F)nc(O)n2)cc(Cl)c1OC ZINC000020035975 FI Annotated Anodyne C[C@@H](CN1CCN(C)CC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000020036588 FI Annotated Anodyne C[C@H](CN1CCN(C)CC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000020036592 FI Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)CN(Cc1ccco1)C2 ZINC000020070509 FI Annotated Mild COc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)cc1 ZINC000020094456 FI Annotated Mild O=c1[nH]c(CN2CCCCC2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000020102874 FI Annotated Anodyne Cc1cccc(C)c1/N=C(\O)[C@@H](/N=C(\O)c1cnccn1)c1ccccc1 ZINC000020108315 FI Annotated Mild Cc1cccc(C)c1/N=C(\O)[C@H](/N=C(\O)c1cnccn1)c1ccccc1 ZINC000020108317 FI Annotated Mild Cn1cncc1Cn1ccc(-c2cccc(-c3nccc4occc34)c2)n1 ZINC000020118968 FI Annotated Anodyne CCc1cnc(C)nc1-c1cccc(-c2ccn(Cc3cscn3)n2)c1 ZINC000020272637 FI Annotated Anodyne Cc1nnc(Nc2ccc(F)cc2)c2c1nnn2Cc1ccccc1Cl ZINC000020447544 FI Annotated Anodyne O=C1c2c(nc3ccccn23)NC(c2ccccc2)=N[C@H]1Cc1ccccc1 ZINC000200213140 FI Annotated Anodyne CC[C@@H]1[C@@H]2CCCCn3c([C@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 ZINC000200676478 FI Annotated Anodyne CC(C)Oc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 ZINC000200822397 FI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1cccc2c1OC(F)(F)O2 ZINC000200827113 FI Annotated Mild CCCOc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 ZINC000200828279 FI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccccc1C(F)(F)F ZINC000200830177 FI Annotated Mild CSc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 ZINC000200834341 FI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccc(C(F)(F)F)c1 ZINC000200840909 FI Annotated Mild CSc1ccccc1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N ZINC000200841087 FI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccn1-c1ccccc1 ZINC000200842016 FI Annotated Mild CCCOc1ccccc1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N ZINC000200843680 FI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000200846497 FI Annotated Mild CSCCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000201441868 FI Annotated Anodyne CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1 ZINC000201766539 FI Annotated Anodyne COc1cc(O)cc2c1C[C@H](c1ccc(O)c3c1OC(C)(C)C=C3)CO2 ZINC000202043236 FI Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCC3CCC3)ccc12 ZINC000202398798 FI Annotated Mild CN(C)c1cc2c(C#N)cn(-c3ccc(C(=O)O)cc3)c2cc1C(F)(F)F ZINC000202400027 FI Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2Oc3c(C(=O)O)c(CCCCC)cc(O)c3[C@H]21 ZINC000202695592 FI Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2Oc3cc(CCCCC)c(C(=O)O)c(O)c3[C@H]21 ZINC000202695736 FI Annotated Mild O=C(O)c1cnc2c(Cl)nn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000203425277 FI Annotated Anodyne CC(=O)c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)n2c1CCC2 ZINC000203460075 FI Annotated Anodyne COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2c1CCC2 ZINC000203461233 FI Annotated Anodyne CCCC[C@@H]1C(=O)N2N=Cc3ccccc3[C@H]2N2N=Cc3ccccc3[C@@H]12 ZINC000203465112 FI Annotated Anodyne CCCC[C@@H]1C(=O)N2N=Cc3cscc3[C@H]2N2N=Cc3cscc3[C@@H]12 ZINC000203465143 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000203466153 FI Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2NC(=O)Nc2ccc(F)cc2)cc1 ZINC000203466281 FI Annotated Anodyne O=C(Nc1ccccc1)Nc1nc2ncccn2c1-c1ccc(F)c(F)c1 ZINC000203466307 FI Annotated Anodyne CCCC[C@H](C(=O)N(C)c1ccccc1)[C@@H](O)c1ccc(C(C)=O)cc1 ZINC000203466803 FI Annotated Anodyne CCN(C(=O)[C@@H](C1CC1)[C@@H](O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000203466913 FI Annotated Anodyne O=c1c2cc3cc(Cl)ccc3nc2ncn1CCc1c[nH]c2ccccc12 ZINC000203467140 FI Annotated Bother O=C1C[C@@H](c2ccccc2)N=C2N(CC3CC3)C/C(=C/c3ccccc3)N12 ZINC000203471788 FI Annotated Anodyne CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(=O)O)cnc12 ZINC000203702334 FI Annotated Anodyne O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)c(Cl)n21 ZINC000203794387 FI Annotated Anodyne CCC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204405816 FI Annotated Anodyne O[C@H]1CCCC[C@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204408199 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C2CCC(C(F)(F)F)CC2)ccc1F ZINC000204409532 FI Annotated Anodyne O[C@H]1CCCC[C@@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410230 FI Annotated Anodyne O[C@@H]1CCCC[C@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410249 FI Annotated Anodyne O[C@@H]1CCCC[C@@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410265 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000204411060 FI Annotated Anodyne OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCCC1 ZINC000204412680 FI Annotated Anodyne CC(C)(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204413701 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc(Cl)c(Cl)c2)ccc1F ZINC000204414156 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C2=CC[C@H](C(F)(F)F)CC2)ccc1F ZINC000204414391 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C2=CC[C@@H](C(F)(F)F)CC2)ccc1F ZINC000204414405 FI Annotated Anodyne CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)[C@@H](C)O ZINC000204414763 FI Annotated Anodyne CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)[C@H](C)O ZINC000204414775 FI Annotated Anodyne CC[C@H](C)[C@@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204415584 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(C(F)(F)F)c2)ccc1F ZINC000204415849 FI Annotated Anodyne CC(C)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204418916 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc(Cl)cc(Cl)c2)ccc1F ZINC000204419686 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C#Cc2ccc(C(C)(C)C)cc2)ccc1F ZINC000204419788 FI Annotated Mild CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204425219 FI Annotated Anodyne COC1CCC2(CC1)Oc1ccc(Cl)cc1[C@@]21N=C(N)c2ccccc21 ZINC000204988407 FI Annotated Anodyne COC1CCC2(CC1)Oc1ccc(Cl)cc1[C@]21N=C(N)c2ccccc21 ZINC000204988427 FI Annotated Anodyne CN(Cc1ccccc1)C(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020530971 FI Annotated Anodyne CN(Cc1ccccc1)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020530972 FI Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531057 FI Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531058 FI Annotated Anodyne CCCc1nc(SC)ncc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020557770 FI Annotated Anodyne CCCc1nc(SC)ncc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020557772 FI Annotated Anodyne Cc1ccc(-c2cccc(-c3ccn(Cc4ccc(C#N)cc4)n3)c2)nn1 ZINC000020560624 FI Annotated Mild Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCC3=CCCCC3)c2)on1 ZINC000020580034 FI Annotated Anodyne Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000020580424 FI Annotated Anodyne CCCCNC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C ZINC000020758255 FI Annotated Anodyne c1csc(Cn2ncc3[nH]c(-c4cc(CN5CCCC5)cs4)nc32)c1 ZINC000020776989 FI Annotated Anodyne Cc1cc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)cc(C)c1O ZINC000020911098 FI Annotated Anodyne Cc1cc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)cc(C)c1O ZINC000020911104 FI Annotated Anodyne COc1ccc(OC)c(Nc2ncnc3onc(-c4ccc(F)cc4)c23)c1 ZINC000020940399 FI Annotated Anodyne Cc1ccc2c(C(=O)N3CCCC(F)(F)C3)cc(-c3cn[nH]c3)nc2c1C ZINC000020998588 FI Annotated Anodyne Clc1ccccc1-c1noc2c(-c3cncnc3-n3cncn3)cccc12 ZINC000205212768 FI Annotated Anodyne Clc1ccccc1-c1noc2c(-c3cncnc3-n3nccn3)cccc12 ZINC000205212789 FI Annotated Anodyne Cc1ccccc1CN1C(=O)COCc2ccc(-c3cccc(CO)c3)cc21 ZINC000205212947 FI Annotated Anodyne O=C(O)c1cccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)c1 ZINC000205218400 FI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)COCC(=O)N2CCc1ccccc1 ZINC000205230310 FI Annotated Anodyne C=C(C)[C@@H]1C/C=C(/COC(C)=O)CC[C@H]2O[C@]2(C)CC[C@@H](O)C(=C)CC1 ZINC000205373230 FI Annotated Mild CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 ZINC000205398119 FI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1cc3ccn(C)c3cc1C(=O)CC2 ZINC000205428193 FI Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccccc4)ncc23)ccn1 ZINC000205437049 FI Annotated Anodyne C=C1CC[C@H]2[C@@H](C(=C)C)C[C@H](OC(C)=O)[C@]2(C)C[C@@H]2O[C@@]2(C)CC[C@@H]1O ZINC000205627832 FI Annotated Mild Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(N)=O)ccc12 ZINC000205648675 FI Annotated Anodyne CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(-c3nn[nH]n3)ccc12 ZINC000205662127 FI Annotated Anodyne Cc1cn(Cc2cc3c(cc2Cl)OCO3)c2cc(CC(=O)O)ccc12 ZINC000205665778 FI Annotated Anodyne CN(C(=O)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21)c1ccccc1 ZINC000205705069 FI Annotated Anodyne O=C(Nc1ccccc1F)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205707899 FI Annotated Anodyne O=C(Nc1cccc(F)c1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205707995 FI Annotated Anodyne C[C@H]1[C@@H](OC(=O)Nc2ccccc2F)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205708403 FI Annotated Anodyne C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000205709018 FI Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205709307 FI Annotated Anodyne CCCCNC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1CCC ZINC000205710672 FI Annotated Anodyne CCCCCCCC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C ZINC000205711238 FI Annotated Mild C[C@H]1[C@@H](OC(=O)NC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712029 FI Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712452 FI Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NC2CCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713239 FI Annotated Anodyne COC(=O)[C@H]1C[C@]2(C/C=C(\C)CCC=C(C)C)c3ccccc3N[C@H]2N1 ZINC000205718211 FI Annotated Anodyne Cc1cc(O)c2c(c1)Oc1c(O)cc(O)c(Oc3cc(O)cc(O)c3)c1O2 ZINC000205729728 FI Annotated Anodyne CC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)c2coc(c21)C3=O ZINC000205839250 FI Annotated Mild CC(=O)O[C@]1(C)CC/C=C(/C)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@@]2(C)O[C@H]2C[C@@H]1C(C)C ZINC000205845472 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1-n1cncc1C(=O)c1ccccc1 ZINC000205863324 FI Annotated Anodyne COc1cc(-c2[nH]nc3nccc(-c4ccccc4)c23)cc(OC)c1OC ZINC000206017001 FI Annotated Anodyne Cc1ccc(CN2C(=O)COCc3cc(-c4cccc(CO)c4)ccc32)cc1 ZINC000206017656 FI Annotated Anodyne COc1ccc(CN2C(=O)[C@H](n3c(C)ccc3C)c3cccc(F)c32)cc1 ZINC000206028873 FI Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](n3c(C)ccc3C)c3cccc(F)c32)cc1 ZINC000206028891 FI Annotated Anodyne Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccccc21 ZINC000206028967 FI Annotated Anodyne Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccccc21 ZINC000206028983 FI Annotated Anodyne Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 ZINC000206029079 FI Annotated Anodyne Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 ZINC000206029105 FI Annotated Anodyne Cc1cc2onc([C@H]3CCCN3S(=O)(=O)c3cccs3)c2cc1C ZINC000206029831 FI Annotated Anodyne Cc1ccccc1NC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C ZINC000206044424 FI Annotated Anodyne Cc1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 ZINC000206045268 FI Annotated Anodyne CC(=O)c1ccccc1N[C@@H](c1nnnn1-c1c(C)cccc1C)C1CC1 ZINC000206051360 FI Annotated Anodyne CC(=O)c1ccccc1N[C@H](c1nnnn1-c1c(C)cccc1C)C1CC1 ZINC000206051374 FI Annotated Anodyne FC(F)Oc1ccc(COc2ccc3c(-c4ccccn4)noc3n2)cc1 ZINC000206054650 FI Annotated Anodyne CN(C)c1ccc2cc3c(c(S(=O)(=O)c4ccccc4)c2c1)CCC3 ZINC000206060553 FI Annotated Anodyne Cc1ccc(C2=NC[C@H](C)n3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1 ZINC000206060790 FI Annotated Anodyne Cc1ccc(C2=NC[C@@H](C)n3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1 ZINC000206060813 FI Annotated Anodyne COc1ccc(C2=NC[C@@H](C)n3nc4cc(C(F)(F)F)ccc4c32)cc1 ZINC000206061432 FI Annotated Anodyne COc1ccc(C2=NC[C@H](C)n3nc4cc(C(F)(F)F)ccc4c32)cc1 ZINC000206061453 FI Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccccc3)cccc2c1 ZINC000206116790 FI Annotated Anodyne CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1NCc1ccccc1 ZINC000206202441 FI Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C ZINC000206492094 FI Annotated Anodyne CN(C)CCCn1c2cc(=O)c3ccccc3c-2nc2cc(Cl)ccc21 ZINC000206606963 FI Annotated Bother Cn1c(-c2cccc(Br)c2)cs/c1=N\C(=O)c1ccccc1 ZINC000207453163 FI Annotated Anodyne Cn1c(-c2ccc(Br)cc2)cs/c1=N\C(=O)c1ccccc1 ZINC000207453224 FI Annotated Anodyne Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)n2ncnc2n1 ZINC000207600486 FI Annotated Mild Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)nc2ncnn12 ZINC000207617837 FI Annotated Mild Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)nc3ncnn23)c(C)c1 ZINC000207627945 FI Annotated Mild CN(C)Cc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000207637341 FI Annotated Anodyne C/C=C\C=C/C=C\C(=O)O[C@@H]1C=C(C)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000208354707 FI Annotated Mild C/C=C/C=C\C=C/C(=O)O[C@@H]1C=C(C)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000208354749 FI Annotated Mild C/C=C\C=C\C=C/C(=O)O[C@@H]1C=C(C)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000208354788 FI Annotated Mild C/C=C/C=C/C=C\C(=O)O[C@@H]1C=C(C)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000208354824 FI Annotated Mild C[C@@H]1Oc2cc(Cl)ccc2/C(=N\OCc2ccccc2)[C@H]1n1ccnc1 ZINC000210051046 FI Annotated Mild CCOC(=O)C(=O)/C=C\C(Sc1ccccc1)=C(\O)c1ccccc1 ZINC000210775390 FI Annotated Mild CC1=N[C@]2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1 ZINC000211020097 FI Annotated Anodyne CC1=N[C@@]2(N=C1N)c1cc(-c3cc(F)cc(F)c3)ccc1CCC21CC1 ZINC000211020119 FI Annotated Anodyne O=C1C[C@H]2CCN(C(=O)C3CCC3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000211061872 FI Annotated Anodyne CCCN1CC[C@@H]2CC(=O)[C@@H](Cc3ccc(OC)cc3)[C@@H]3CCC[C@H]1[C@@H]23 ZINC000211062328 FI Annotated Anodyne Cc1cc2c(c(O)c1Br)C(=O)[C@@H](O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 ZINC000211330002 FI Annotated Anodyne Cc1cc2c(c(O)c1Br)C(=O)[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 ZINC000211330071 FI Annotated Anodyne Cc1sc(-n2cccc2CNCc2cccc(F)c2)c(C(=O)O)c1C ZINC000021643404 FI Annotated Anodyne COc1ccccc1CNCc1cccn1-c1sc(C)c(C)c1C(=O)O ZINC000021935425 FI Annotated Anodyne Cc1sc(-n2cccc2CNCCc2cccs2)c(C(=O)O)c1C ZINC000021935433 FI Annotated Anodyne C#CCSc1nc(Cl)c(C#N)c(-c2ccc(Br)cc2)n1 ZINC000215975710 FI Annotated Mild C=CC(C)(C)c1cc(/C=C\C(=O)c2ccc(O)cc2)c(OC)c(O)c1O ZINC000216106044 FI Annotated Mild CC(C)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)s2)ccc1F ZINC000216168278 FI Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@@](C)(O)[C@H](CC(=O)CCCCCCC)C2 ZINC000216497442 FI Annotated Mild CC(/C=C/C(=O)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000216574570 FI Annotated Mild CC(C)Nc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[nH]1 ZINC000216985029 FI Annotated Anodyne Clc1ccc(OC2CCNCC2)c(-c2nc(Cc3ccccc3)no2)c1 ZINC000218578611 FI Annotated Anodyne CC1(O)CCC(C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 ZINC000218961932 FI Annotated Anodyne COC1CCC(C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000218974615 FI Annotated Anodyne COc1ccccc1-c1c[nH]c2ncnc(-c3ccc4cn(C)nc4c3)c12 ZINC000218975502 FI Annotated Anodyne CO[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218979374 FI Annotated Anodyne Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1 ZINC000218995231 FI Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc(C)c3C)nc12 ZINC000219011446 FI Annotated Anodyne Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)COC2 ZINC000219024208 FI Annotated Anodyne COc1ccc(CNc2c(-c3ccccc3O)nc3ccc(F)cn23)cc1 ZINC000219244716 FI Annotated Anodyne CN(C)c1nc(SCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000219489193 FI Annotated Mild C[C@@H](NC(=O)Nc1cc2n[nH]c(C3CCC3)c2cn1)c1ccc(F)cc1 ZINC000219744996 FI Annotated Anodyne C[C@@H](NC(=O)Nc1cc2n[nH]c(C(C)(F)F)c2cn1)c1ccc(F)cc1 ZINC000219773798 FI Annotated Anodyne CN(C)CCN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1O ZINC000022044975 FI Annotated Clean O=c1cc(CSc2ccc(C(F)(F)F)cn2)c2ccc(O)cc2o1 ZINC000022118681 FI Annotated Anodyne O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)COc2ccc(Br)cc21 ZINC000022419554 FI Annotated Mild FC(F)(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000022442017 FI Annotated Anodyne CCN(C)C(=O)Oc1cc([C@@H](C)N(C)C)cc2oc(=O)c3ccccc3c12 ZINC000220085362 FI Annotated Bother CCN(C)C(=O)Oc1cc([C@H](C)N(C)C)cc2oc(=O)c3ccccc3c12 ZINC000220085434 FI Annotated Bother CCN(C)C(=O)Oc1cc([C@@H](C)N(C)C)c2c(c1)oc(=O)c1ccccc12 ZINC000220085542 FI Annotated Bother CCN(C)C(=O)Oc1cc([C@H](C)N(C)C)c2c(c1)oc(=O)c1ccccc12 ZINC000220085605 FI Annotated Bother O=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCCC1 ZINC000220141659 FI Annotated Anodyne Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000220976343 FI Annotated Anodyne Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000220989367 FI Annotated Anodyne Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)ncc(=O)n1C ZINC000221000549 FI Annotated Anodyne Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)cnc(=O)n1C ZINC000221000634 FI Annotated Anodyne COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1 ZINC000221012326 FI Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(Nc3ccccn3)nc12 ZINC000221017954 FI Annotated Anodyne O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3)s2)cc([N+](=O)[O-])c1 ZINC000221020671 FI Annotated Anodyne N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1 ZINC000221103385 FI Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc(O)c1 ZINC000221103476 FI Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2cccc(F)c2)n1-c1cccc(O)c1 ZINC000221129851 FI Annotated Anodyne Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 ZINC000221156487 FI Annotated Anodyne N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(N)c2)cc1 ZINC000221180418 FI Annotated Anodyne COc1cc(/C(C#N)=C/c2nc3ccccc3s2)cc(OC)c1OC ZINC000221225398 FI Annotated Reactive Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)s1 ZINC000221353274 FI Annotated Reactive O=C(N/N=C/c1cccs1)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000221353576 FI Annotated Reactive C/C=N/N(c1ccccc1)c1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000221488551 FI Annotated Mild C=CCn1c(-c2ccc(N)cc2)cs/c1=N\N=C\C=C\c1ccco1 ZINC000221680111 FI Annotated Mild O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1ncc[nH]1 ZINC000221763817 FI Annotated Anodyne Nc1cc(C(F)(F)F)ccc1OC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000221835894 FI Annotated Mild CC(C)=CCc1ccc([C@H]2C(=O)O[C@@H](Cc3ccc(O)cc3)[C@H]2C)cc1O ZINC000222286691 FI Annotated Anodyne c1ccc(-c2csc3ncnc(N4CCC(CNC5CC5)CC4)c23)cc1 ZINC000223013595 FI Annotated Anodyne Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn12 ZINC000223394660 FI Annotated Anodyne Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc21 ZINC000223455538 FI Annotated Anodyne C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 ZINC000223658597 FI Annotated Anodyne C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 ZINC000223658655 FI Annotated Anodyne Cc1sc2nc(-c3ccncc3)nc(NCCN)c2c1-c1ccccc1 ZINC000223666716 FI Annotated Anodyne C[C@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12 ZINC000223668439 FI Annotated Anodyne C[C@H](N)CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 ZINC000223668646 FI Annotated Anodyne C[C@@H](N)CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 ZINC000223669311 FI Annotated Anodyne C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12 ZINC000223682008 FI Annotated Anodyne COc1cccnc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224550334 FI Annotated Anodyne N#Cc1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 ZINC000224551882 FI Annotated Mild N#Cc1ncccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224552821 FI Annotated Mild N#Cc1cccnc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224554389 FI Annotated Mild N#Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ccn1 ZINC000224556806 FI Annotated Mild Nc1cnc(-c2ccc(C3CCCCC3)c(Oc3ncccn3)c2F)cn1 ZINC000224558603 FI Annotated Anodyne Cc1cc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)no1 ZINC000224560645 FI Annotated Anodyne CC(C)CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 ZINC000224561792 FI Annotated Anodyne N#Cc1cccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 ZINC000224562102 FI Annotated Mild COC(=O)CCCC#CC#CCCCC/C=C/C#C/C=C\Br ZINC000224565556 FI Annotated Mild COC(=O)CCCC#CC#CCCCC/C=C\C#C/C=C/Br ZINC000224565601 FI Annotated Mild Cc1cc(C)nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 ZINC000224571983 FI Annotated Anodyne CC(C)(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 ZINC000224572969 FI Annotated Anodyne N#Cc1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cn1 ZINC000224582362 FI Annotated Mild Cc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 ZINC000224588178 FI Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C=O)cc2F)cn1 ZINC000224687683 FI Annotated Anodyne Cc1c(Cc2ccc(Cl)c(Cl)c2)c(=O)oc2cc(O)cc(O)c12 ZINC000224718857 FI Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3OC3CCCC3)cc2F)cn1 ZINC000224742121 FI Annotated Anodyne N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224743787 FI Annotated Mild Nc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ccn1 ZINC000224746398 FI Annotated Anodyne CCN(CC)C(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224756921 FI Annotated Anodyne Cc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1 ZINC000224760704 FI Annotated Anodyne Nc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1 ZINC000224763968 FI Annotated Clean Nc1cnc(-c2ccc(-c3ccccc3Oc3ncccn3)cc2F)cn1 ZINC000224765145 FI Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(N)c3)cc2F)cn1 ZINC000224795147 FI Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3OCC(F)(F)F)cc2F)cn1 ZINC000224797061 FI Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(Br)cc3F)cc2F)cn1 ZINC000224809274 FI Annotated Anodyne Nc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1 ZINC000224811018 FI Annotated Clean Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1 ZINC000224835218 FI Annotated Anodyne Cc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 ZINC000224835751 FI Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3Oc3ncccn3)cc2F)cn1 ZINC000224841584 FI Annotated Anodyne Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 ZINC000224851440 FI Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NC(=O)C1CCCCC1 ZINC000224878679 FI Annotated Anodyne O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1NC(=O)C1CCCCC1 ZINC000224879606 FI Annotated Anodyne CN(C)CCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000224934916 FI Annotated Anodyne Cc1ccc(Sc2ccc(F)cc2)c(NCCCN2CCN(C)CC2)c1 ZINC000022938740 FI Annotated Anodyne CCCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCC12CCC(CC1)C2 ZINC000022938897 FI Annotated Anodyne FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCC[C@@H]4C3)c2c1 ZINC000022940031 FI Annotated Anodyne COc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c(OC)c1 ZINC000225190039 FI Annotated Anodyne COc1cc(Cl)ccc1-c1ccnc2[nH]c([C@@H]3CNC(C)(C)CO3)cc12 ZINC000226057673 FI Annotated Anodyne COc1cc(Cl)ccc1-c1ccnc2[nH]c([C@H]3CNC(C)(C)CO3)cc12 ZINC000226057686 FI Annotated Anodyne Cc1cccc(Cn2ccc(-c3cccc(-c4nc(C)cnc4C)c3)n2)n1 ZINC000023146050 FI Annotated Anodyne Cc1nc(N(C)C)nc(-c2cccc(-c3ccn(CCCF)n3)c2)c1C ZINC000023231319 FI Annotated Anodyne CC1=C(CCN2CCC(n3cc(C(C)(C)N)nn3)CC2)C(C)(C)CCC1 ZINC000023339404 FI Annotated Anodyne CN(Cc1cccnc1)Cc1cccc(-c2nc(C3CCCC3)cc(=O)[nH]2)c1 ZINC000023368326 FI Annotated Anodyne Cc1cccnc1Cn1ccc(-c2ccc(CN3CCC(F)CC3)s2)n1 ZINC000023399126 FI Annotated Anodyne Cc1cnc(C)c(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)n1 ZINC000023428873 FI Annotated Anodyne COC(=O)[C@H]1C[C@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230085062 FI Annotated Anodyne in-man COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230085068 FI Annotated Anodyne in-man COC(=O)[C@H]1C[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230085073 FI Annotated Anodyne in-man C=CCc1cc(OC)c(O[C@@H](C)Cc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000230613742 FI Annotated Mild CC[C@@H](OO)[C@@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929719 FI Annotated Reactive CC[C@H](OO)[C@@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929722 FI Annotated Reactive CC[C@@H](OO)[C@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929725 FI Annotated Reactive CC[C@H](OO)[C@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929727 FI Annotated Reactive CC/C=C\C[C@@H](OO)[C@@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000231929730 FI Annotated Reactive CC/C=C\C[C@H](OO)[C@@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000231929732 FI Annotated Reactive CC/C=C\C[C@@H](OO)[C@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000231929735 FI Annotated Reactive CC/C=C\C[C@H](OO)[C@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1 ZINC000231929737 FI Annotated Reactive CC[C@H]1[C@@H]2C[C@H](OO2)[C@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO ZINC000231929772 FI Annotated Reactive CC[C@@H]1[C@@H]2C[C@H](OO2)[C@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO ZINC000231929774 FI Annotated Reactive CC[C@@H](OO)[C@@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929781 FI Annotated Reactive CC[C@H](OO)[C@@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929782 FI Annotated Reactive CC[C@@H](OO)[C@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929785 FI Annotated Reactive CC[C@H](OO)[C@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1 ZINC000231929788 FI Annotated Reactive OCC(CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231935999 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936001 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936005 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936008 FI Annotated Anodyne Cc1nc(C2CCN(Cc3ccccc3-c3ccc(C)o3)CC2)cc(=O)[nH]1 ZINC000023541841 FI Annotated Anodyne C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OCC)C1)CCN2C ZINC000238730662 FI Annotated Reactive C=C1C[C@@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CC=C(C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(C)=O ZINC000238731156 FI Annotated Mild CC(C)=CC[C@@H](OC(=O)CC(C)C)c1coc(C2=CC(=O)C=CC2=O)c1 ZINC000238731219 FI Annotated Mild C=C(C)C[C@@H](OO)c1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O ZINC000238731300 FI Annotated Reactive C=C(C)[C@H](O)CC[C@@](C)(O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000238731724 FI Annotated Reactive COC1=CC(=O)C2=C(C[C@]3(C)[C@@H](C)CC[C@@H]4[C@@H]3[C@H](CCC4(C)C)O2)C1=O ZINC000238732054 FI Annotated Mild C=C[C@](C)(CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@]2(C)C[C@@H](O)[C@@H]1C)OC(C)=O ZINC000238732938 FI Annotated Mild COC(C)(C)/C=C/c1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 ZINC000238733137 FI Annotated Anodyne C=C1CC[C@@H](C(C)C)[C@H]2[C@@H]1[C@H]1C[C@]3(C)O[C@@](C)(CC[C@@H]3OC(C)=O)[C@@H]2O1 ZINC000238733317 FI Annotated Mild COC(=O)C[C@]1(C)CC[C@@]2(O1)C(CO)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000238733319 FI Annotated Anodyne C=C[C@]1(C)O[C@@]2(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2C[C@H]1OC(C)=O ZINC000238733333 FI Annotated Mild C=C/C(=C/[C@@]1(C)CCCC(C)(C)C1)[C@@H]1[C@@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2 ZINC000238733420 FI Annotated Anodyne C=C1C[C@H](OC(=O)c2ccc(OC)cc2)[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)C ZINC000238733845 FI Annotated Mild COCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C/C(=O)O)CO ZINC000238734343 FI Annotated Anodyne CO[C@@H]1C/C(=C\C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 ZINC000238734363 FI Annotated Anodyne COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@@H](C)[C@@H]2C)cc1O ZINC000238734637 FI Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@]1(COC(=O)O1)C3 ZINC000238734671 FI Annotated Anodyne C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](/C=C(\C)OC(C)=O)C2(C)C)CC1=O ZINC000238734687 FI Annotated Mild CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1C/C(C)=C/CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 ZINC000238735328 FI Annotated Anodyne C=C1CC[C@H]([C@@H](C)CC[C@@H](O)C(C)(C)Cl)[C@H](O)[C@@H]2[C@@H]1C=C[C@@]2(C)OO ZINC000238735826 FI Annotated Reactive COc1cc(-c2oc3c(OC)cc(C=O)cc3c2C)ccc1OC(C)=O ZINC000238736378 FI Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=C[C@@H](OC)OC2=O)C/C=C\C=C/1C(=O)OC ZINC000238736383 FI Annotated Mild C[C@H]1C[C@H]2C[C@@]3(C)O[C@H]3[C@]3(C)OOC(C)(C)/C3=C/C[C@]3(C)CC[C@]1(O2)O3 ZINC000238736425 FI Annotated Reactive C=C(C)[C@H](CC[C@]1(C)CC[C@@]2(C)O[C@@H]2CC[C@@](C)(O)[C@@H]2C[C@H]21)OC(C)=O ZINC000238736586 FI Annotated Mild C[C@H](C[C@]1(C(=O)O)[C@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C)c1ccoc1 ZINC000238736866 FI Annotated Anodyne CC1=C[C@@H](C/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)OC1=O ZINC000238736969 FI Annotated Anodyne CC1=CCC2=C(C)[C@@](O)(C(C)C)C[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 ZINC000238736991 FI Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14[C@@H](CC[C@@H]1[C@](C)(C(=O)O)CCC[C@]14C)C[C@@]32C ZINC000238737060 FI Annotated Anodyne C=C[C@@]1(C)[C@H](Cl)C[C@H]2[C@@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1N=C ZINC000238737280 FI Annotated Reactive CC(=O)O[C@@H]1/C=C(C(C)C)\C=C\[C@](C)(O)CC/C=C(\C)CC[C@H]2O[C@]12C ZINC000238737380 FI Annotated Anodyne C=CCC/C=C/C#CC#CCCCCCC[C@H]1C(=O)O[C@H](C)[C@@H]1OC(C)=O ZINC000238737507 FI Annotated Mild CC(=O)O[C@H](C/C(C)=C/CCC1=CC(=O)OC1)[C@@H]1C(C)=CC(=O)CC1(C)C ZINC000238737540 FI Annotated Mild C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H](C[C@H](C)C(=O)CC[C@]3(C)OC(C)=O)[C@@H]12 ZINC000238737606 FI Annotated Mild COC(=O)C[C@@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000238738347 FI Annotated Anodyne COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@@H](OC)[C@H]2OC ZINC000238738897 FI Annotated Anodyne CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)C[C@H](O)/C=C(\C)C[C@H](O)[C@@H]12 ZINC000238738959 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(CO)C[C@H](O)C[C@]12C ZINC000238739163 FI Annotated Anodyne CC(=O)O[C@H]1C[C@H](C)[C@@]2(C)C[C@@]3(c4ccoc4)OC[C@@]14C(C)=CCC[C@]42O3 ZINC000238739281 FI Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@H]1CCC1=CC(=O)O[C@H]1OC ZINC000238739381 FI Annotated Mild COC(=O)C[C@@]1(C)CC[C@]2(O1)C(CO)=CC[C@@H]1C(C)(C)CCC[C@]12C ZINC000238739534 FI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(C)=O ZINC000238739623 FI Annotated Anodyne Cc1cc(O)cc(O)c1-c1c(C)c2nc3c(C)cc(O)cc3oc-2cc1=O ZINC000238740673 FI Annotated Bother ClC[n+]1ccc2cc3c(cc2c2cc4ccc5c(c4c1-2)OCO5)OCO3 ZINC000238740721 FI Annotated Reactive C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)CC=C(C(C)=O)C[C@@H]12)OC(C)=O ZINC000238740965 FI Annotated Mild CC[C@@H]1[C@H]2CCCCn3c([C@@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 ZINC000238741012 FI Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14[C@H](CC[C@@H]1[C@](C)(C(=O)O)CCC[C@]14C)C[C@@]32C ZINC000238741440 FI Annotated Anodyne C/C=C(/C)C(=O)OC/C=C\c1ccc(OC(=O)/C(C)=C\C)c(OC)c1OC ZINC000238741518 FI Annotated Anodyne COc1ccc(Cc2c(O)cc(O)c3c2CCc2cc(OC)ccc2-3)cc1 ZINC000238742270 FI Annotated Anodyne CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C(=O)O)CC[C@@]3(C)C(C)=CCC[C@@H]32)C(=O)O1 ZINC000238742695 FI Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(CO)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000238742744 FI Annotated Anodyne C/C(=C/CC/C(C)=C\CC/C(=C\CC/C(C)=C\C(=O)O)C(=O)O)CO ZINC000238742835 FI Annotated Anodyne CC1(C)CCC[C@@]2(C)O[C@@H]2CC/C(C(=O)O)=C\[C@H]1OC(=O)c1ccccc1 ZINC000238743223 FI Annotated Anodyne CC[C@H](C)CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238743339 FI Annotated Anodyne C=C[C@@]1(C)CC[C@H](/C(=C/C[C@H](O)C(C)(C)O)COC(C)=O)C[C@@H]1C(=C)C ZINC000238743395 FI Annotated Mild CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1C/C(C)=C\CC[C@](C)(OC[C@@H]2C)[C@@H]3O1 ZINC000238743402 FI Annotated Anodyne CC(=O)OC/C(=C/CO)[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000238743976 FI Annotated Anodyne C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@@]21C)CC(=O)O ZINC000238744113 FI Annotated Anodyne COC(C)(C)/C=C/c1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2 ZINC000238744274 FI Annotated Anodyne C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)C/C=C(/C)COC(C)=O ZINC000238744362 FI Annotated Mild COc1cc(CCc2ccccc2)c(OC)c(OC)c1CCC(C)(C)O ZINC000238744394 FI Annotated Anodyne C[C@H](O)CCCCCCCCCC[C@H](O)CCC[C@H]1CC[C@H](O)[C@@H](C)N1 ZINC000238744682 FI Annotated Anodyne CC(C)=CC[C@H]1O[C@@H]1[C@@H](C)C(=O)Oc1c2ccoc2cc2oc(=O)ccc12 ZINC000238744824 FI Annotated Anodyne CC/C(C)=C\C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238745048 FI Annotated Anodyne C=C[C@](C)(O)CCC1=C(C)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000238745092 FI Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(C)=O ZINC000238745348 FI Annotated Anodyne COCC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC ZINC000238745442 FI Annotated Anodyne COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23[C@@H](OC)OC[C@H]13 ZINC000238745448 FI Annotated Anodyne CC(C)C1=CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)O)C[C@@]42CN(C)C1 ZINC000238745490 FI Annotated Anodyne CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2O)C1 ZINC000238745858 FI Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=C[C@H](O)[C@H]1C(C)(C)CCC[C@@]12C ZINC000238745865 FI Annotated Anodyne COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1[C@@](C)(CO)CCC[C@@]12C ZINC000238746060 FI Annotated Anodyne CC(=O)OC[C@@H]1/C(C=O)=C\C/C=C(/C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C ZINC000238746184 FI Annotated Reactive COC(=O)[C@]12CCCC(C)(C)[C@@H]1CC(=O)c1cc(C(C)C)c(O)c(O)c12 ZINC000238746374 FI Annotated Clean COc1ccc(C[C@@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)cc1 ZINC000238746731 FI Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2O[C@]2(C)CC[C@H]2[C@H](/C(C)=C\C=C\C(C)(C)O)CC[C@]12C ZINC000238746876 FI Annotated Anodyne C/C=C1\[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C[C@@H](N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238747225 FI Annotated Anodyne CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC[C@H]2O[C@]2(C)[C@H]1O ZINC000238747687 FI Annotated Anodyne COc1c2c(c(/C=C/C(C)(C)O)c3oc(C)cc(=O)c13)OC(C)(C)C=C2 ZINC000238747974 FI Annotated Anodyne CC(=O)OC/C1=C\C[C@@H]2CC[C@](C)(O)[C@@H](CC[C@]3(C)O[C@H]3CC1)C2(C)C ZINC000238748004 FI Annotated Anodyne CO[C@@H]1C=C(CCC[C@@H](C)/C=C/[C@H]2C(C)(C)CCC[C@]2(C)O)C(=O)O1 ZINC000238748272 FI Annotated Anodyne C=CCc1c(O)c(OC)cc2c1O[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238748494 FI Annotated Mild C[C@@]1(CC(=O)O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]2(C)O1 ZINC000238748696 FI Annotated Anodyne C=CC[C@@]1(C/C=C(/C)COC(=O)c2ccccc2)C=C2OCOC2=CC1=O ZINC000238748707 FI Annotated Mild CC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@@H]4C[C@H]3[C@H]3O[C@@H]43)[C@]1(Cl)C2(Cl)Cl ZINC000238748934 FI Annotated Anodyne C[C@H]1C[C@H]2C[C@]3(C)O[C@@H]3[C@@]3(C)OOC(C)(C)/C3=C/C[C@]3(C)CC[C@]1(O2)O3 ZINC000238749566 FI Annotated Reactive C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1C[C@@H](O)/C(C)=C/COC ZINC000238749812 FI Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C[C@H](C)[C@H]3CC=C(C)C4=CC[C@H]1[C@H]4[C@H]32 ZINC000238749922 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)C(=O)C[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238750283 FI Annotated Mild CC(=O)O[C@@H]1C/C=C(\C)C[C@H](O)[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)/C=C/[C@H]1C ZINC000238750334 FI Annotated Anodyne C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO ZINC000238750377 FI Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]2CC/C(C(=O)O)=C\[C@H]1OC(=O)c1ccccc1 ZINC000238750443 FI Annotated Anodyne COC(=O)c1cccc2c[n+]3ccc4c5ccc(OC)cc5[nH]c4c3cc12 ZINC000238750663 FI Annotated Bother C=CCOc1cc2c(cc1OC)[C@H](C)[C@H](c1cc(OC)c3c(c1)OCO3)O2 ZINC000238751197 FI Annotated Mild CC(=O)OC[C@@]1(O)C[C@@H](/C(C)=C\CC=C(C)C)C[C@H]1[C@H]1C(=O)C=C[C@H]1C ZINC000238751453 FI Annotated Mild C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(OC(=O)/C(C)=C\C)cc1OC ZINC000238751873 FI Annotated Anodyne OCC(CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@H]2[C@H]2CC[C@H]21 ZINC000238751917 FI Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc2c1OCO2 ZINC000238751976 FI Annotated Anodyne CC(=O)O[C@@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(O)C(C)C ZINC000238752681 FI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238752733 FI Annotated Anodyne CO[C@H]1C/C(=C\C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 ZINC000238753382 FI Annotated Anodyne COC1=CC(=O)C2=C(C=C[C@](C)(CC[C@]3(C)CCC=C(C)[C@@H]3C)O2)C1=O ZINC000238753606 FI Annotated Mild C=C1CC[C@H](C(C)C)[C@H]2[C@@H]1[C@H]1C[C@]3(C)O[C@](C)(CC[C@@H]3OC(C)=O)[C@@H]2O1 ZINC000238753716 FI Annotated Mild CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@@](C)(CC1)CC[C@@]2(O)C(C)C ZINC000238753804 FI Annotated Anodyne CCOc1ccc([C@H]2CC(CCN(C)C)=NN2c2ccccc2)cc1OC ZINC000238754646 FI Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]2(C)C[C@@H]1OC(C)=O ZINC000238754991 FI Annotated Mild COc1cc(CCc2ccccc2)c(OC)c(OC)c1/C=C/C(C)(C)O ZINC000238755119 FI Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@@]2(O[C@@H](CC(C)=O)[C@@H]3C(C)(C)CCC[C@]32C)O1 ZINC000238755129 FI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CCC[C@H](C(=O)OC)[C@@]12C ZINC000238755313 FI Annotated Anodyne CO[C@H]1CCC2=C(C[C@@H]3C([C@H](C)CCC[C@H](C)CO)=CC[C@]3(C)O2)C1=O ZINC000238755317 FI Annotated Mild CC(=O)O[C@H]1[C@@]2(C)CC=C(C=O)[C@]1(C=O)[C@H]([C@H](C)CCC=C(C)C)CC2 ZINC000238756267 FI Annotated Reactive C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)O ZINC000238756376 FI Annotated Mild CC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C(=O)C[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238756776 FI Annotated Mild COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@H](O)[C@@H](C)[C@H]2C)cc1OC ZINC000238757145 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@@]12C ZINC000238757164 FI Annotated Anodyne CC(=O)OC[C@@]1(C)C[C@H](O)C[C@]2(C)[C@@H](CC/C(C)=C/CO)C(C)=CC[C@@H]12 ZINC000238757575 FI Annotated Anodyne COC(=C\C(C)=C\[C@@H]1CCCc2oc3ccc(O)cc3c21)/C=C/C(N)=O ZINC000238758069 FI Annotated Anodyne COc1c(/C=C/C(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O ZINC000238758083 FI Annotated Anodyne C=C(C)[C@H](CCC1=CC[C@@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO ZINC000238758281 FI Annotated Reactive C/C=C(/C)C(=O)OC/C=C/c1ccc(OC(=O)/C(C)=C\C)c(OC)c1OC ZINC000238758677 FI Annotated Anodyne CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C ZINC000238758821 FI Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2O[C@]2(C)CC[C@H]2[C@H](/C(C)=C/C=C/C(C)(C)O)CC[C@]12C ZINC000238758848 FI Annotated Anodyne C=C(c1[nH]c2ccccc2c1COC)[C@H]1CCN(C(=O)OC)C/C1=C/C ZINC000238759111 FI Annotated Mild CC(=O)O[C@]1(C)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@@H](O)C1 ZINC000238759214 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C/C=C(\C)CC[C@H]3O[C@@]13C)CC[C@@]2(O)C(C)C ZINC000238759456 FI Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)C(C)=C(CC/C(C)=C\CO)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238759796 FI Annotated Anodyne C=C(COC(=O)c1ccccc1)c1cc(O)c(C)cc1OC(=O)C(C)C ZINC000238759954 FI Annotated Mild C=C[C@@](C)(O)CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@]2(C)C[C@@H](OC(C)=O)[C@@H]1C ZINC000238760015 FI Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(=O)C=C(C)C)C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238760535 FI Annotated Anodyne C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@H]1[C@H]3[C@H](OC(C)=O)[C@@H](C)CN1C ZINC000238760655 FI Annotated Mild COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(O)=C1[C@]2(C)CC[C@H]2C[C@@]12C ZINC000238761316 FI Annotated Mild CC(C)C1=CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 ZINC000238761721 FI Annotated Anodyne C=C[C@@]1(C)[C@H](Cl)C[C@@H]2[C@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1N=C ZINC000238761848 FI Annotated Reactive CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)C/C=C/[C@@](C)(O)C[C@H](O)[C@@H]12 ZINC000238761905 FI Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@H]2C[C@@H]3[C@@H]4C[C@]12C[C@@]43C ZINC000238762114 FI Annotated Anodyne COc1cc2c(cc1OC)-c1c(oc3c(ccc4occc43)c1=O)CO2 ZINC000238762285 FI Annotated Anodyne CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C ZINC000238762507 FI Annotated Anodyne CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1 ZINC000238762572 FI Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@H]2Cc1c(O)ccc(O)c1C=O ZINC000238762878 FI Annotated Anodyne C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000238763074 FI Annotated Anodyne CC[C@@H](C)/C=C(C)\C=C\C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000238763217 FI Annotated Mild C=C1CC[C@H](C(C)C)[C@@H]2[C@@H]1[C@@H]1C[C@@]3(C)O[C@](C)(CC[C@@H]3OC(C)=O)[C@H]2O1 ZINC000238763472 FI Annotated Mild CO[C@H]1CC=C(c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)CC1 ZINC000238763571 FI Annotated Anodyne CC(=O)OC[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)OC[C@@H]3[C@@H]12 ZINC000238764248 FI Annotated Anodyne COC(C)(C)/C=C\c1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 ZINC000238764435 FI Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@@]2(O[C@H](C(C)=O)C[C@@H]3C(C)(C)CCC[C@]32C)O1 ZINC000238764527 FI Annotated Anodyne CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c(O)c1 ZINC000238764536 FI Annotated Mild CC(=O)OC[C@@H]1/C(C=O)=C\C/C=C(\C)C[C@@H](O)[C@@H]1[C@H](C)CCC=C(C)C ZINC000238764546 FI Annotated Reactive CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC1 ZINC000238764716 FI Annotated Reactive C=CC[C@]12C[C@@H](OC)C=C[C@]1(OC)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000238765044 FI Annotated Mild CC[C@@H](C)/C=C(C)/C=C\C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000238765206 FI Annotated Mild CC[C@@H](C)/C=C(C)\C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000238765218 FI Annotated Mild CC(=O)O[C@H](C/C(C)=C/CCC1=CC(=O)OC1)[C@H]1C(C)=CC(=O)CC1(C)C ZINC000238765486 FI Annotated Mild C=C[C@]1(C)O[C@@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2C[C@H]1OC(C)=O ZINC000238765554 FI Annotated Mild CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C ZINC000238765766 FI Annotated Anodyne C=C(C)/C1=C/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](O)/C=C(\C)C[C@@H]1OC(C)=O ZINC000238765788 FI Annotated Mild CC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1O[C@@]12C ZINC000238765952 FI Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2CC[C@]1(OC(C)=O)C3 ZINC000238767328 FI Annotated Mild C=C1[C@H](O)C[C@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO ZINC000238767758 FI Annotated Mild C=C[C@@H](C)[C@H](C[C@H]1[C@](C)(O)C(=O)C[C@H]2C(C)(C)CCC[C@@]21C)OC(C)=O ZINC000238767944 FI Annotated Mild C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)C)[C@@H](OC)O[C@H](OC)[C@@H]12 ZINC000238768071 FI Annotated Mild CC[C@H](C)CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C ZINC000238768428 FI Annotated Anodyne CCCCCCCCCC[C@](C)(O)c1cc(OC)c(COO)c(=O)o1 ZINC000238768501 FI Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2[C@@H](OC)c3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238768676 FI Annotated Anodyne C/C=C1/c2ccc(C=O)n2[C@@H]2C[C@H]1[C@@H](C(=O)OC)c1c2[nH]c2ccccc12 ZINC000238768744 FI Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52C)[C@H]63)CC[C@@H]41 ZINC000238769041 FI Annotated Anodyne C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)CC(=O)C(C)=CC[C@@H]12)OC(C)=O ZINC000238769189 FI Annotated Mild CC(=O)OC[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000238769740 FI Annotated Anodyne COc1cc2cc[n+]3cc4c(OC)c(OC)ccc4c(C)c3c2cc1OC ZINC000238769936 FI Annotated Clean C=C1CC/C=C(/C(=O)O)C[C@@H](OC(=O)/C(C)=C\C)CC(C)(C)C[C@@H]1OO ZINC000238770261 FI Annotated Reactive CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@@]12C ZINC000238770391 FI Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@H]3CC[C@@H]2[C@@]1(C)CO ZINC000238771047 FI Annotated Anodyne COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CO ZINC000238771279 FI Annotated Anodyne CCCC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C=C[C@@H](C(C)C)C[C@@H]1C2 ZINC000238771828 FI Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238771928 FI Annotated Mild CC(=O)O[C@H]1C=C(C)C(=O)[C@H](O)[C@H]1/C(C)=C/C=C/[C@H](C)/C=C\CC(C)C ZINC000238772013 FI Annotated Mild C=C1CC[C@@H](C)[C@@](C)(CCc2ccoc2)C/C=C\[C@@H]2C=NN[C@]12C(=O)OC ZINC000238772073 FI Annotated Mild C=C1CC[C@@H](C(C)C)[C@H]2[C@@H]1[C@@H]1CC(=C)[C@H](O)CC[C@](C)(OC(C)=O)[C@H]2O1 ZINC000238772158 FI Annotated Mild COC(=O)C1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000238772312 FI Annotated Anodyne C=CC(=C)CC[C@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(CO)[C@H](OC(C)=O)CC[C@]21C ZINC000238772520 FI Annotated Mild CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/CO)[C@H](C)C(=O)C[C@H]12 ZINC000238772900 FI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C=C(/C(=O)O)CC[C@H]2O[C@@]2(C)CCCC1(C)C ZINC000238773010 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]12C ZINC000238773069 FI Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCC[N+]1=C3 ZINC000238773133 FI Annotated Bother CC(=O)OCC1=C[C@@]2(O)O[C@@H]1C[C@H]1C3=C(C(C)C)CC[C@]3(C)CC[C@]12C ZINC000238773208 FI Annotated Anodyne C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](OC)C[C@H]3O ZINC000238773644 FI Annotated Mild COC(=O)C[C@@]1(C)CC[C@@]2(O1)[C@@]1(C)O[C@H]1C[C@@H]1C(C)(C)CCC[C@@]12C ZINC000238774237 FI Annotated Anodyne CC(=O)OC[C@@H](O)[C@@]1(C)CC[C@@]2(C)[C@H](C1)C(=O)C[C@]1(C)C(C)=CCC[C@@H]12 ZINC000238774520 FI Annotated Anodyne CCC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@@H]43 ZINC000238774808 FI Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12 ZINC000238774892 FI Annotated Reactive C/C1=C/CC[C@H](C(=O)O)CCC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 ZINC000238775120 FI Annotated Anodyne CC(C)=CCc1ccc(C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)cc1O ZINC000238775265 FI Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@](C)(O)[C@@H](O)COC(C)=O ZINC000238775307 FI Annotated Mild Cc1oc2c(c1C)[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@H](CC[C@@](C)(O)[C@@H]1C)C2=O ZINC000238775458 FI Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@H]3CC[C@]12O ZINC000238775724 FI Annotated Anodyne CC(=O)O[C@H]1C/C(C)=C/[C@@H](O)C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 ZINC000238776147 FI Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238776442 FI Annotated Anodyne CC(=O)O[C@@H]1CC[C@@](C)(CCC=C(C)C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@]21C ZINC000238776512 FI Annotated Anodyne CC(=O)OC[C@@]1([C@@H]2CO2)CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 ZINC000238776691 FI Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C/CC/C(C)=C/C(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C ZINC000238776921 FI Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=CC2=C(O1)C(=O)C[C@@H](OC)C2=O ZINC000238776969 FI Annotated Mild CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)C[C@@]3(c4ccoc4)OC[C@@]14C(C)=CCC[C@]42O3 ZINC000238777407 FI Annotated Anodyne COC(/C=C/C(N)=O)=C/C(C)=C/[C@@H]1CCCc2oc3ccc(O)cc3c21 ZINC000238777753 FI Annotated Anodyne CC(C)=CCc1cc(/C=C2\OC(=O)C(c3cccc(O)c3)=C2O)ccc1O ZINC000238777880 FI Annotated Anodyne C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)OC(C)=O)C2(C)C)CC1=O ZINC000238777967 FI Annotated Mild C[C@H](OCc1ccccc1O)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000238778384 FI Annotated Bother C=CCOc1cc2c(cc1OC)[C@H](C)[C@@H](c1cc(OC)c3c(c1)OCO3)O2 ZINC000238778400 FI Annotated Mild C=C[C@]1(C)C[C@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2C(=O)[C@H]1OC(C)=O ZINC000238778634 FI Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C(=O)C(C(C)C)=C(O)C3=O ZINC000238778837 FI Annotated Mild CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/CO)[C@H](C)C(=O)C[C@@H]12 ZINC000238778963 FI Annotated Anodyne C=C1[C@H](C(=O)/C=C(/C)CC)[C@H](O)C[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OC)C[C@H]12 ZINC000238779289 FI Annotated Mild C=C(C)/C=C\c1c(OC)c2c(c(CCC(=O)O)c1OC)OC(C)(C)C=C2 ZINC000238779526 FI Annotated Mild C/C(=C/CC/C(=C\CC/C(C)=C\C(=O)O)C(=O)O)CC/C=C(\C)CO ZINC000238779572 FI Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@H](C/C=C(\COC(C)=O)CC[C@@H]1O)CC[C@]2(C)O ZINC000238779655 FI Annotated Mild CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238779943 FI Annotated Anodyne CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@@H](O)C[C@H](C)[C@@]12C ZINC000238779970 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1OC(=O)C(CCC=C(C)C)=CC[C@@]1(C)O ZINC000238780014 FI Annotated Anodyne CO[C@H]1CCC(=O)C2=C1O[C@@]1(C)CC=C([C@H](C)CCC[C@H](C)CO)[C@H]1C2 ZINC000238780025 FI Annotated Mild CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1 ZINC000238780363 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@@H](C)CCC=C(C)C ZINC000238780487 FI Annotated Anodyne CC(=O)O[C@H]1C=C(C)C(=O)[C@H](O)[C@H]1/C(C)=C\C=C/[C@H](C)/C=C\CC(C)C ZINC000238780519 FI Annotated Mild CC(=O)O[C@H]1C=C(C)C(=O)[C@H](O)[C@H]1/C(C)=C/C=C\[C@H](C)/C=C\CC(C)C ZINC000238780530 FI Annotated Mild CC(=O)O[C@H]1C=C(C)C(=O)[C@H](O)[C@H]1/C(C)=C\C=C\[C@H](C)/C=C\CC(C)C ZINC000238780536 FI Annotated Mild CC[C@H](C)CC(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238780619 FI Annotated Mild C/C=C1\c2ccc(C=O)n2[C@@H]2C[C@H]1[C@@H](C(=O)OC)c1c2[nH]c2ccccc12 ZINC000238780633 FI Annotated Anodyne CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238780671 FI Annotated Anodyne COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@@H]1CN[C@H]2[C@@H](C(C)C)CC[C@@]13C ZINC000238780861 FI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](C(=O)OC)C[C@@H]1C3 ZINC000238780987 FI Annotated Mild C[C@H]1C[C@H]2C[C@]3(C)O[C@@H]3[C@@]3(C)OOC(C)(C)/C3=C\C[C@]3(C)CC[C@]1(O2)O3 ZINC000238781088 FI Annotated Reactive CO[C@H]1O[C@@H]2Oc3c(O)c(C(C)C)cc(C=O)c3[C@]13CCCC(C)(C)[C@H]23 ZINC000238781958 FI Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc2c1OCO2 ZINC000238782204 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC/C(=C\C(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238782285 FI Annotated Anodyne CCO[C@H]1[C@H]2C(C)(C)CCC[C@@]23C(=O)O[C@@H]1c1cc(C(C)C)c(O)c(O)c13 ZINC000238782349 FI Annotated Clean CCOC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC1 ZINC000238782720 FI Annotated Anodyne COc1cc2c(c3c1OCO3)C(c1ccc3c(c1)OCO3)=C(C)[C@H](C)C2 ZINC000238782892 FI Annotated Anodyne Cc1c2c(c3oc(-c4ccc(O)cc4O)cc(=O)c3c1O)C=CC(C)(C)O2 ZINC000238783215 FI Annotated Anodyne CC(=O)OC[C@@H]1/C(C=O)=C\C/C=C(\C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C ZINC000238783351 FI Annotated Reactive COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccccc1)[C@H](OC)[C@H]2OC ZINC000238783376 FI Annotated Anodyne CC(=O)O[C@@H]1CC=C(C=O)[C@@]2(C=O)[C@H]([C@@H](C)CCC=C(C)C)CC[C@@]12C ZINC000238783392 FI Annotated Reactive CC1(C)C=C[C@@H](O)[C@@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)O1 ZINC000238783864 FI Annotated Reactive COC(=O)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000238784216 FI Annotated Anodyne [C-]#[N+][C@@H]1[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C ZINC000238784311 FI Annotated Reactive COc1cccc2c1C(=O)c1c(cc(C)c(C(=O)CCC(C)C)c1O)C2=O ZINC000238784455 FI Annotated Clean COc1cc2c(cc1O)[C@@H]1O[C@H](c3cc4c(c(OC)c3-2)OCO4)[C@H](C)[C@@H]1C ZINC000238784751 FI Annotated Anodyne COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]12C ZINC000238785139 FI Annotated Anodyne C=C[C@](C)(O)CCC1=C(C)C(=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000238785156 FI Annotated Mild C/C=C\C=C(/C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000238785293 FI Annotated Clean C/C=C/C=C(\C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000238785295 FI Annotated Clean C/C=C\C=C(\C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000238785298 FI Annotated Clean C/C=C/C=C(/C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000238785302 FI Annotated Clean C=C1CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@H]2O[C@]2(C)CC[C@@H]1OC(C)=O ZINC000238785858 FI Annotated Mild CCO[C@@H]1C[C@@]2(CC[C@@]3(O2)C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 ZINC000238786450 FI Annotated Mild CC[C@H]1[C@H]2CCCCn3c([C@H]4C[C@@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 ZINC000238787179 FI Annotated Anodyne C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)C[C@@H]1C[C@@H](C)C(=O)O1 ZINC000238787210 FI Annotated Anodyne CO[C@H]1C/C(=C/C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 ZINC000238787680 FI Annotated Anodyne C#CCCCCCCCCCCC[C@H](C[C@H](CO)OC(C)=O)OC(C)=O ZINC000238788060 FI Annotated Mild CCO[C@H]1C[C@]2(CC[C@@]3(O2)C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C)CO1 ZINC000238788098 FI Annotated Mild C/C=C(\C)c1c2c(c(C)c(O)c1C(=O)O)OC(=O)c1c(C)cc(O)cc1O2 ZINC000238788125 FI Annotated Anodyne C=C(C(=O)OC)[C@H]1CC/C(C)=C\CC/C(C)=C/CC[C@](C)(O)[C@H](O)C1 ZINC000238788385 FI Annotated Mild C=C(C(=O)OC)[C@H]1CC/C(C)=C\CC/C(C)=C\CC[C@](C)(O)[C@H](O)C1 ZINC000238788386 FI Annotated Mild C=C(C(=O)OC)[C@H]1CC/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)C1 ZINC000238788387 FI Annotated Mild C=C(C(=O)OC)[C@H]1CC/C(C)=C/CC/C(C)=C\CC[C@](C)(O)[C@H](O)C1 ZINC000238788388 FI Annotated Mild C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000238788517 FI Annotated Mild CC(=O)O[C@@H]1C(=O)C=C(C)[C@H]2C[C@H](/C(C)=C/C(=O)C=C(C)C)CC[C@]12C ZINC000238788781 FI Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2occ(C)c2[C@]2(C)OC(=O)[C@H]3CCC[C@H]1[C@@]32C ZINC000238788870 FI Annotated Anodyne COC(=O)CCCC#CC#C/C=C\CC/C=C\C#C/C=C/Br ZINC000238789003 FI Annotated Mild CC(=O)O[C@@H]1C(=O)C=C(C)[C@@H]2C[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]21C ZINC000238789029 FI Annotated Mild C/C=C(/C)C(=O)OC/C=C\c1cc(OC)c(OC(=O)/C(C)=C\C)cc1OC ZINC000238789099 FI Annotated Anodyne CCCCn1cc2c3c(c(-c4ccc(O)cc4)ccc3c1=O)C(=O)C(O)=C2 ZINC000238789658 FI Annotated Mild C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](/C=C(/C)OC(C)=O)C2(C)C)CC1=O ZINC000238789727 FI Annotated Mild C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](/C=C(\C)OC(C)=O)C2(C)C)CC1=O ZINC000238789728 FI Annotated Mild C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](/C=C(/C)OC(C)=O)C2(C)C)CC1=O ZINC000238789729 FI Annotated Mild CCCC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H](C(C)C)C=C[C@@]1(C)O2 ZINC000238789775 FI Annotated Anodyne CC1(C)Cc2c(sc3nc(=S)n(Cc4ccccc4)c(O)c23)CO1 ZINC000239433374 FI Annotated Anodyne FC(F)(F)c1ccc2c(N3CCCNCC3)ncc(-c3ccccc3)c2n1 ZINC000024905223 FI Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3[C@@]23C[C@H]3c2ccccc2)c1 ZINC000248126492 FI Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3[C@@]23C[C@@H]3c2ccccc2)c1 ZINC000248126494 FI Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23C[C@H]3c2ccccc2)c1 ZINC000248126496 FI Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23C[C@@H]3c2ccccc2)c1 ZINC000248126498 FI Annotated Anodyne C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCC[C@H]1C ZINC000248133120 FI Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000248133125 FI Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@H]43)nc2nc1Cc1ccccc1 ZINC000002500081 FI Annotated Anodyne CC(C)CN(CC(C)C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000002500149 FI Annotated Anodyne CC(C)CN(CC(C)C)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000002500154 FI Annotated Anodyne CCN(Cc1ccccc1)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000002500159 FI Annotated Anodyne CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000002500162 FI Annotated Anodyne CCCN(CC1CC1)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000002500179 FI Annotated Anodyne CCN(c1ccc2nc(O)c(Cc3ccccc3)nc2n1)C1CCCCC1 ZINC000002500196 FI Annotated Anodyne FC(F)(F)c1cccc(-c2ncnn2-c2ccc(Br)nc2)c1 ZINC000002501425 FI Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N ZINC000002626454 FI Annotated Mild Cc1noc2nc(-c3cccs3)cc(-c3nnc4n3CCCCC4)c12 ZINC000002659886 FI Annotated Anodyne CCCN(CCC)c1ccc([C@H](O)c2nnc(-c3ccccc3)o2)cc1 ZINC000002659907 FI Annotated Anodyne CCCN(CCC)c1ccc([C@@H](O)c2nnc(-c3ccccc3)o2)cc1 ZINC000002659908 FI Annotated Anodyne C=CCOc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1OC ZINC000002694700 FI Annotated Mild C=CCOc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1OC ZINC000002694702 FI Annotated Mild Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC(=O)N2 ZINC000002724117 FI Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC(=O)N2 ZINC000002724118 FI Annotated Anodyne CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 ZINC000002724141 FI Annotated Anodyne CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724142 FI Annotated Anodyne CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 ZINC000002724143 FI Annotated Anodyne CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000002724144 FI Annotated Anodyne CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 ZINC000002724145 FI Annotated Anodyne CCC(CC)C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724146 FI Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1F)CC(=O)N2 ZINC000002724183 FI Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1F)CC(=O)N2 ZINC000002724184 FI Annotated Anodyne Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002724719 FI Annotated Anodyne Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002724720 FI Annotated Anodyne Cc1cc(C)c(COc2ccc(/C=N\n3c(C)nnc3S)cc2)c(C)c1 ZINC000002810291 FI Annotated Mild O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 ZINC000002883629 FI Annotated Clean COC(=O)Cc1nc(Nc2cccc(Cl)c2)c2c(C)c(C)sc2n1 ZINC000002910806 FI Annotated Anodyne Brc1cccc([C@H]2C[C@@H](c3cccs3)N3NN=NC3=N2)c1 ZINC000002914118 FI Annotated Anodyne Brc1cccc([C@@H]2C[C@@H](c3cccs3)N3NN=NC3=N2)c1 ZINC000002914120 FI Annotated Anodyne Brc1cccc([C@H]2C[C@H](c3cccs3)N3NN=NC3=N2)c1 ZINC000002914121 FI Annotated Anodyne Brc1cccc([C@@H]2C[C@H](c3cccs3)N3NN=NC3=N2)c1 ZINC000002914124 FI Annotated Anodyne Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nnnn21 ZINC000002918423 FI Annotated Anodyne Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nnnn21 ZINC000002918425 FI Annotated Anodyne Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nnnn21 ZINC000002918427 FI Annotated Anodyne Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nnnn21 ZINC000002918429 FI Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccccc3OC(F)F)Nc3ncnn32)cc1 ZINC000002919715 FI Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccccc3OC(F)F)Nc3ncnn32)cc1 ZINC000002919716 FI Annotated Anodyne COc1ccc([C@@H]2C[C@H](c3ccccc3OC(F)F)Nc3ncnn32)cc1 ZINC000002919719 FI Annotated Anodyne Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924169 FI Annotated Anodyne Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924171 FI Annotated Anodyne Cc1c(C(=O)N2CCCCCC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924268 FI Annotated Anodyne Cc1c(C(=O)N2CCCCCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924270 FI Annotated Anodyne Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924276 FI Annotated Anodyne Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924277 FI Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)NCCC3=CCCCC3)c(C)c12 ZINC000002925843 FI Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)Nc3ccccc3OC)c(C)c12 ZINC000002925845 FI Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)Nc3ccccc3F)c(C)c12 ZINC000002925858 FI Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c12 ZINC000002925865 FI Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)NC3CCCCCC3)c(C)c12 ZINC000002925883 FI Annotated Anodyne CCN(CC)c1nc(C)nc2sc(C(=O)NC3CCCCC3)c(C)c12 ZINC000002925919 FI Annotated Anodyne CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccnc2)c1C ZINC000002930685 FI Annotated Anodyne CC(C)OCCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000002940020 FI Annotated Anodyne CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000002947417 FI Annotated Anodyne CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1 ZINC000002947418 FI Annotated Anodyne O=C1CS[C@@H](c2ccccc2Br)N1c1ccc(Cl)cn1 ZINC000002947570 FI Annotated Anodyne O=C1CS[C@H](c2ccccc2Br)N1c1ccc(Cl)cn1 ZINC000002947571 FI Annotated Anodyne CC[C@@H](C)NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 ZINC000002948126 FI Annotated Anodyne CC[C@H](C)NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 ZINC000002948128 FI Annotated Anodyne Cn1c(=O)c2nc(-c3ccc(Br)cc3)oc2c2ccccc21 ZINC000002959720 FI Annotated Anodyne NC(=O)c1c(Nc2ccccc2Cl)sc(C(=O)c2ccccc2)c1N ZINC000002962466 FI Annotated Anodyne C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O ZINC000002965494 FI Annotated Anodyne C[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O ZINC000002965496 FI Annotated Anodyne C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O ZINC000002965498 FI Annotated Anodyne C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O ZINC000002965501 FI Annotated Anodyne CC[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 ZINC000002970344 FI Annotated Bother CC[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 ZINC000002970345 FI Annotated Bother O=c1c2ccccc2nc2sc(Nc3ccc(Cl)cc3Cl)nn12 ZINC000002971389 FI Annotated Anodyne COc1cc2[nH]c(=S)n([C@H]3CCCc4ccccc43)c(=O)c2cc1OC ZINC000002974254 FI Annotated Anodyne COc1cc2[nH]c(=S)n([C@@H]3CCCc4ccccc43)c(=O)c2cc1OC ZINC000002974260 FI Annotated Anodyne COCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)NC1CCCC1)CC2 ZINC000025206819 FI Annotated Anodyne COCCOc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)NC1CCCC1)CC2 ZINC000025206824 FI Annotated Anodyne COCCOc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)NC1CCCC1)CC2 ZINC000025206829 FI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)NCc1cccs1)CC2 ZINC000025207611 FI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)NCc1cccs1)CC2 ZINC000025207614 FI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)NCc1cccs1)CC2 ZINC000025207619 FI Annotated Anodyne Cc1ccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)o1 ZINC000251253096 FI Annotated Anodyne COc1cccc(N=Nc2c(N)nn3c(O)cc(-c4ccccc4)nc23)c1 ZINC000253531455 FI Annotated Clean CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 ZINC000253590188 FI Annotated Anodyne C[C@@]12C=C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253632723 FI Annotated Mild C[C@@]12C=C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253632725 FI Annotated Mild C[C@@]12C=C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253632727 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253633554 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253633557 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2C=C[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253633559 FI Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000253633641 FI Annotated Reactive C[N@@+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633711 FI Annotated Reactive C[N@+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633712 FI Annotated Reactive C[N@+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633713 FI Annotated Reactive C[N@@+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000253633715 FI Annotated Reactive C[C@]12CC[C@H]3[C@H]4CCC(=O)C=C4C4(CC4)C[C@H]3[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253634400 FI Annotated Mild C[C@]12CC[C@@H]3[C@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253634402 FI Annotated Mild C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253634544 FI Annotated Mild C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253634545 FI Annotated Mild C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253634546 FI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3[C@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253635066 FI Annotated Mild Cc1ccc([C@@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CCN(C)C[C@H]23)cc1 ZINC000253635068 FI Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3[C@H]4C[C@H]4[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253635069 FI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3[C@@H]4C[C@H]4[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253635071 FI Annotated Mild C[C@H]1CN(CCCc2ccccc2)[C@H]2C[C@@H](N)C[C@@]1(c1cccc(O)c1)C2 ZINC000253637773 FI Annotated Anodyne CC[C@@H]1CC[C@@H]2c3c(O)nc(-c4ccc5c(c4)OCCO5)nc3S[C@H]2C1 ZINC000253638100 FI Annotated Anodyne CC[C@@H]1CC[C@H]2c3c(O)nc(-c4ccc5c(c4)OCCO5)nc3S[C@H]2C1 ZINC000253638104 FI Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253638224 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253638227 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253638230 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253638233 FI Annotated Mild CCCCCCCCN(CCCCCCCC)[C@@H]1C=C[C@H](O)[C@@H](O)[C@H]1O ZINC000253638516 FI Annotated Mild CCCCCCCCN(CCCCCCCC)[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O ZINC000253638519 FI Annotated Mild O=C1C[C@]2(N3CCCCC3)C[C@@H](c3ccccc3)[C@H](N1)[C@@H](c1ccccc1)C2 ZINC000253675648 FI Annotated Anodyne CC[C@@H](C)[C@@H](CNC)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 ZINC000253679049 FI Annotated Anodyne CC[C@H](C)[C@@H](CNC)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 ZINC000253679057 FI Annotated Anodyne CC[C@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 ZINC000253679064 FI Annotated Anodyne CC[C@@H](C)[C@@H](CNC)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 ZINC000253679072 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000253683636 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 ZINC000253683640 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 ZINC000253683644 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000253683648 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000253684393 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000253684401 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000253684404 FI Annotated Anodyne O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000253684408 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@H]3CCOC3=O)[C@@H](C)CC[C@H]12 ZINC000253695477 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@H]3CCOC3=O)[C@H](C)CC[C@H]12 ZINC000253695483 FI Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253699352 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253699356 FI Annotated Mild C[C@]12C=CC(=O)C=C1[C@H]1C[C@H]1[C@@H]1[C@@H]2C=C[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253699359 FI Annotated Mild CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@@H]2[C@H]1c1cccnc1 ZINC000253700401 FI Annotated Anodyne CSc1ccc(CN2CC[C@]2(C)C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000253779088 FI Annotated Anodyne CSc1ccc(CN2CC[C@@]2(C)C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000253779095 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 ZINC000253791460 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000253791464 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000253791469 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32O4 ZINC000253791473 FI Annotated Anodyne O=C(O)[C@@H]1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 ZINC000253868718 FI Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(N=Nc2ccc(O)c3ncccc23)c1 ZINC000253915588 FI Annotated Clean CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N=NN1CCSCC1 ZINC000253960936 FI Annotated Clean aggregator CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000253961182 FI Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000253961184 FI Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000253961188 FI Annotated Mild COC(=O)c1cc(N=Nc2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 ZINC000253978795 FI Annotated Clean Cc1ccc(O[C@H](C)C(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000253979267 FI Annotated Clean Cc1ccc(O[C@@H](C)C(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000253979270 FI Annotated Clean CCn1c(O)c(N=NC(=O)c2cccnc2)c2cc(Br)ccc21 ZINC000253979514 FI Annotated Clean Cn1c(SCC(=O)N=Nc2c(O)[nH]c3ccccc23)nc2ccccc21 ZINC000253981732 FI Annotated Clean CC(C)(C)c1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000253983046 FI Annotated Mild CC(C)(C)c1ccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000253983049 FI Annotated Mild CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@H]3CC[C@]21C ZINC000253986357 FI Annotated Mild CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@@]4(C)[C@H]3CC[C@]21C ZINC000253986361 FI Annotated Mild CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@@]4(C)[C@@H]3CC[C@]21C ZINC000253986365 FI Annotated Mild CCN(CC)C(=O)c1sc2nc(=S)n(-c3ccccc3)c(O)c2c1C ZINC000253987402 FI Annotated Anodyne Cc1ccccc1/C(O)=C(\C#N)N=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000253989066 FI Annotated Reactive CCOc1cc2nc(=S)n(Cc3ccc(C)o3)c(O)c2cc1OCC ZINC000253993292 FI Annotated Anodyne CCCCOC(=O)c1ccc(N=Nc2c(O)nc(O)c(C#N)c2C)cc1 ZINC000253994970 FI Annotated Mild CC(C)n1c(O)c(N=NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000254010396 FI Annotated Clean CC(C)n1c(O)c(N=NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000254010407 FI Annotated Clean CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2c3ccccc3C[C@H]21 ZINC000254013148 FI Annotated Anodyne CCOc1ccc2nc3cc(N=Nc4ccc(N)nc4N)ccc3c(N)c2c1 ZINC000254013244 FI Annotated Clean CC(C)(C)c1ccc(O[C@@H]2[C@@H](O)CO[C@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000254026017 FI Annotated Mild C[C@@H]1[C@@H](NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)CCC[C@H]1C ZINC000254047154 FI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)CCC[C@H]1C ZINC000254047159 FI Annotated Anodyne N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](NCCCC(F)(F)F)CC1 ZINC000254051016 FI Annotated Anodyne COC(=O)[C@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)C2 ZINC000254076668 FI Annotated Reactive COC(=O)[C@@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)C2 ZINC000254076671 FI Annotated Reactive Oc1nc(O)c(Cc2nccs2)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000254085986 FI Annotated Anodyne CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@@]1(C)CO[P@](C)(=O)OC ZINC000254111166 FI Annotated Anodyne CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@]1(C)CO[P@@](C)(=O)OC ZINC000254111168 FI Annotated Anodyne CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@]1(C)CO[P@](C)(=O)OC ZINC000254111171 FI Annotated Anodyne CO[P@](C)(=O)OC[C@@H]1[C@H](C=C(C)C)[C@@]1(C)CO[P@@](C)(=O)OC ZINC000254111172 FI Annotated Anodyne Oc1nc(O)c(Cc2ccccn2)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000254133720 FI Annotated Anodyne O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@H]3[C@@]12c1ccccc1 ZINC000254135578 FI Annotated Anodyne O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@@H]3[C@@]12c1ccccc1 ZINC000254135580 FI Annotated Anodyne O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCC[C@H]3[C@]12c1ccccc1 ZINC000254135583 FI Annotated Anodyne CC1(C)N(O[C@H]2CCCCO2)[C@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] ZINC000254142657 FI Annotated Anodyne Cc1c(C#N)c(N=CN(C)C)c(C(=O)c2ccccc2)n1-c1ccccc1 ZINC000254291043 FI Annotated Mild O=C1CSC(=Nc2cccc(Cl)c2Cl)N1Cc1cccnc1 ZINC000254379058 FI Annotated Mild C(=N/N=c1/[nH]c2ccccc2s1)c1cccn1CCOc1ccccc1 ZINC000254497576 FI Annotated Mild aggregator Cc1cc(N(CCO)CCC#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000254548079 FI Annotated Mild COc1cc(N=C2C(=O)N3c4c(cccc42)C(C)=CC3(C)C)cc(OC)c1 ZINC000254601244 FI Annotated Mild COc1cccc(C=Nn2c(=S)n(C)c3cc(C)c(C)cc32)c1OC ZINC000254634354 FI Annotated Mild aggregator Cc1cc(C(=O)NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)[nH]n1 ZINC000254708685 FI Annotated Reactive aggregator O=[N+]([O-])c1ccccc1/C=C/C=Nn1c(-c2ccc(F)cc2)n[nH]c1=S ZINC000254770076 FI Annotated Mild O=[N+]([O-])c1ccc(N=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000254906427 FI Annotated Mild CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000025757608 FI Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 ZINC000025963001 FI Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)[C@H]5COC[C@]43C5)[C@@H]1CC[C@@H]2OC1CC1 ZINC000025963011 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC[C@H](C)C3=O ZINC000025973334 FI Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 ZINC000025975123 FI Annotated Anodyne CCOC(=O)[C@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 ZINC000025975131 FI Annotated Anodyne O=C(O)[C@@H]1Cc2cc3c(-c4ccccc4Cl)noc3c(Cl)c2O1 ZINC000025975982 FI Annotated Anodyne O=C(O)[C@H]1Cc2cc3c(-c4ccccc4Cl)noc3c(Cl)c2O1 ZINC000025975989 FI Annotated Anodyne CN[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000025977351 FI Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@H]4CC[C@@]5(O)C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@@]23CN1C ZINC000255222528 FI Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@@]5(O)C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@@]32CN1C ZINC000255222529 FI Annotated Anodyne C[C@]12CCC3=C(CC[C@H]4C[C@H](O)CC[C@@]34C)C1=CC=C2C1=CC(=O)OC1 ZINC000255277749 FI Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC1=C(O)C(=O)C(CO)=CC1=O ZINC000257465459 FI Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC1=C(O)C(=O)C(CO)=CC1=O ZINC000257465460 FI Annotated Mild COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@H]1C3 ZINC000257557691 FI Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@H]1C3 ZINC000257557692 FI Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000257557693 FI Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 ZINC000257557694 FI Annotated Anodyne C[C@H](C=O)Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C ZINC000026003529 FI Annotated Mild C[C@@H](C=O)Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C(C)(C)C ZINC000026003536 FI Annotated Mild COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2oc(O)nc2c1 ZINC000026006364 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000026156479 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 ZINC000026162836 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 ZINC000026168859 FI Annotated Anodyne CN(C)CCc1ccc2nc3c4ccccc4n(CCN(C)C)c3cc2c1 ZINC000026173511 FI Annotated Bother CN(C)CCO/N=C\C[C@H]1CC[C@]2(O)C[C@@H](C3CCCCC3)CC[C@]12C ZINC000026181929 FI Annotated Mild Cc1cccc2nc(N[C@H](C)c3ccc(Br)cc3)oc(=O)c12 ZINC000026184824 FI Annotated Anodyne CCCCc1c(OCCOCC)c2cccnc2n(-c2ccccc2)c1=O ZINC000026187983 FI Annotated Anodyne ONc1nc(NO)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1 ZINC000026264716 FI Annotated Anodyne Nc1nc(NO)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1 ZINC000026268754 FI Annotated Anodyne CC[C@]12CCCn3c(C(=O)OC)cc(c31)-c1ccccc1NC(=O)CC2 ZINC000026268918 FI Annotated Anodyne CC[C@]12CCCn3ccc(c31)-c1cc(NC(C)=O)ccc1NC(=O)CC2 ZINC000026271779 FI Annotated Anodyne Cc1nccn1CCCCCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026273199 FI Annotated Anodyne O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2cccnc2)O3)N1 ZINC000026274043 FI Annotated Anodyne O=c1oc2ccc(/N=C/c3ccc[nH]3)cc2cc1-c1ccc2c(c1)OCO2 ZINC000026279659 FI Annotated Mild CCN(CC)CCS/C(=N\O)c1nc(-c2cccc3ccccc23)no1 ZINC000026282624 FI Annotated Mild C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(Cl)c(N=[N+]=[N-])cc3O)CCN12 ZINC000026283714 FI Annotated Mild C/N=C(/Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccc(C#N)cc1 ZINC000026287685 FI Annotated Mild N#Cc1ccc(NC(=S)NC(=N)Cc2ccc(Cl)cc2Cl)cc1 ZINC000026293323 FI Annotated Mild O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccc(F)cc1 ZINC000026296063 FI Annotated Mild O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1cccs1 ZINC000026296068 FI Annotated Mild N#Cc1cccc(NC(=S)NC(=N)Cc2c(Cl)cccc2Cl)c1 ZINC000026376182 FI Annotated Mild O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1F ZINC000026376257 FI Annotated Mild CCCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 ZINC000026379572 FI Annotated Anodyne CC(C)Oc1ccc2c3ccc4cc5c(cc4c3n(C)cc-2c1=O)OCO5 ZINC000026381670 FI Annotated Anodyne O=C(O)C1(c2ccc3c(c2)OC[C@H](CCc2ccccc2)[C@H]3O)CCCC1 ZINC000026386456 FI Annotated Anodyne C=CCn1cc2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c21)OCO4 ZINC000026386655 FI Annotated Anodyne C=CCOc1ccc2c3ccc4cc5c(cc4c3n(C)cc-2c1=O)OCO5 ZINC000026388686 FI Annotated Anodyne CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 ZINC000026391379 FI Annotated Anodyne CC[C@@H]1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 ZINC000026392033 FI Annotated Anodyne CC[C@H]1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 ZINC000026392037 FI Annotated Anodyne CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)no1 ZINC000026392187 FI Annotated Anodyne CN1CCC/C1=N\CCSc1cn(Cc2ccco2)c2ccccc12 ZINC000026394264 FI Annotated Mild COc1ccc2c3ccc4cc5c(cc4c3n(C)c(C3CC3)c-2c1=O)OCO5 ZINC000026396349 FI Annotated Anodyne CCN1CCN(CC)[C@H](c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000026398704 FI Annotated Anodyne CN(CCCN)CCCNCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026472706 FI Annotated Bother Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C ZINC000026486558 FI Annotated Anodyne Cc1ccc(N(C)/C(S)=C2/C(=O)c3cc(Cl)ccc3N(C)C2=O)cc1 ZINC000026486945 FI Annotated Mild C/C(=C\COC(=O)Nc1ccc(C(F)(F)F)cc1)C1=CC(=O)C(C)(C)O1 ZINC000026493682 FI Annotated Mild C[C@]12CC[C@H]3[C@H]4CCC(=O)C=C4C4(CC4)C[C@H]3[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000026496883 FI Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000026496891 FI Annotated Anodyne C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000261077232 FI Annotated Mild C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000261077235 FI Annotated Mild C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@@H]([C@@H]12)[C@@H]1C[C@H]1[C@@]31CCC(=O)O1 ZINC000261077239 FI Annotated Mild C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000261077242 FI Annotated Mild Cc1cn(CCCn2c(O)c3c4c(sc3nc2=S)C[C@H](C)CC4)cn1 ZINC000261081891 FI Annotated Anodyne Cc1cn(CCCn2c(O)c3c4c(sc3nc2=S)C[C@@H](C)CC4)cn1 ZINC000261081893 FI Annotated Anodyne Cc1cccnc1N[C@@H]1CC[C@@H](Oc2ncccc2C2CCOCC2)CC1 ZINC000261083144 FI Annotated Anodyne Cc1ccnc(N[C@@H]2CC[C@@H](Oc3ncccc3C3CCOCC3)CC2)c1 ZINC000261086523 FI Annotated Anodyne C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000261094236 FI Annotated Mild C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000261094240 FI Annotated Mild C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@@H]([C@@H]12)[C@@H]1C[C@H]1[C@@]31CCC(=O)O1 ZINC000261094244 FI Annotated Mild C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000261094248 FI Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@H](CO)C[C@H]3[C@@H]1CC[C@@]21C=CCO1 ZINC000261110801 FI Annotated Mild C[C@@]12CC3CC(C(=O)NNc4ncnc5ccccc45)(C1)C[C@](C)(C3)C2 ZINC000261116473 FI Annotated Reactive CC(C)[C@H](CO)NCc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1F ZINC000261121472 FI Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@@H]2CC[C@@H](C(F)(F)F)CC2)ccc1F ZINC000261121476 FI Annotated Anodyne Cc1cccc(N[C@@H]2CC[C@@H](Oc3ncccc3C3CCOCC3)CC2)n1 ZINC000261123446 FI Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1 ZINC000261129695 FI Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1 ZINC000261129696 FI Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1 ZINC000261129698 FI Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1 ZINC000261129699 FI Annotated Anodyne CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@@H]2CCCC[C@H]21 ZINC000261133935 FI Annotated Anodyne CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@H]2CCCC[C@H]21 ZINC000261133936 FI Annotated Anodyne Cc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(=O)O)C[C@H]2C)cc1 ZINC000261135453 FI Annotated Anodyne Cc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@H]2C)cc1 ZINC000261135455 FI Annotated Anodyne Cc1cc(Oc2ncccc2C(C)C)ccc1-c1c(C)c(O)nc(=O)n1C ZINC000261136359 FI Annotated Anodyne C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4C4(CC4)C[C@@H]3[C@@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000261141658 FI Annotated Mild C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4C4(CC4)C[C@@H]3[C@@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000261141659 FI Annotated Mild C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4C4(CC4)C[C@@H]3[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000261141660 FI Annotated Mild C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4C4(CC4)C[C@@H]3[C@@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000261141661 FI Annotated Mild C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34C=CC(=O)O4)[C@H]12 ZINC000261144490 FI Annotated Mild N[C@@H]1CC[C@@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 ZINC000261144515 FI Annotated Anodyne O=C(NC[C@H]1CCN2CCC[C@H]1C2)c1ccccc1-c1cccc(Cl)c1 ZINC000261150023 FI Annotated Anodyne O=C(NC[C@@H]1CCN2CCC[C@H]1C2)c1ccccc1-c1cccc(Cl)c1 ZINC000261150026 FI Annotated Anodyne CCn1c(-c2ccc(Oc3ncccc3Cl)cc2C)c(C)c(O)nc1=O ZINC000261159235 FI Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000261165441 FI Annotated Anodyne O=C(O)Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1 ZINC000261174441 FI Annotated Clean C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccc(Cl)cc1 ZINC000261176330 FI Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@H]1C2 ZINC000261176981 FI Annotated Anodyne [C-]#[N+]c1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)c1 ZINC000261179241 FI Annotated Anodyne Cc1noc(C)c1CN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 ZINC000261180012 FI Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 ZINC000261183528 FI Annotated Anodyne C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 ZINC000261183529 FI Annotated Anodyne C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N@@+]4(C)O3)[C@@H]12 ZINC000261183689 FI Annotated Bother C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N@+]4(C)O3)[C@@H]12 ZINC000261183690 FI Annotated Bother C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N@@+]4(C)O3)[C@@H]12 ZINC000261183691 FI Annotated Bother C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N@+]4(C)O3)[C@@H]12 ZINC000261183692 FI Annotated Bother CC(=NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000261189020 FI Annotated Mild Cc1noc(CSC[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000261191042 FI Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 ZINC000261191080 FI Annotated Anodyne C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 ZINC000261191081 FI Annotated Anodyne [C-]#[N+]c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 ZINC000261192709 FI Annotated Anodyne COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)O2)ccc1O ZINC000261499522 FI Annotated Anodyne in-man endogenous COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)O2)ccc1O ZINC000261499523 FI Annotated Anodyne in-man endogenous OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]2[C@@H]2CC[C@@H]12 ZINC000261518036 FI Annotated Anodyne in-vitro OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]12 ZINC000261518037 FI Annotated Anodyne in-vitro OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]2[C@H]2CC[C@H]21 ZINC000261518038 FI Annotated Anodyne in-vitro OCC(CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@@H]3CC[C@H]3[C@@H]12 ZINC000261518039 FI Annotated Anodyne in-vitro CCc1ccc(CCNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 ZINC000263590621 FI Annotated Anodyne CCc1ccc(CCNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 ZINC000263590622 FI Annotated Anodyne COc1ccc(N/N=C(/N=Nc2nc(C)cc(O)n2)c2ccccc2)cc1 ZINC000263592098 FI Annotated Mild CN(C)C=Nc1ncc2c3ccccc3n(Cc3ccccc3)c2c1C#N ZINC000263592310 FI Annotated Mild Cc1ccc(S(=O)(=O)NN=C2[C@@H](C)C[C@H](C(C)(C)C)C[C@H]2C)cc1 ZINC000263596093 FI Annotated Mild O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000263602486 FI Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000263602487 FI Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000263602488 FI Annotated Anodyne Cc1cc2c(cc1O)CCN(CC(C)C)[C@@H]2c1ccc(/C=C/C(=O)O)cc1 ZINC000263620472 FI Annotated Anodyne Cc1c(O)ccc2c1CCN(CC(C)C)[C@@H]2c1ccc(/C=C/C(=O)O)cc1 ZINC000263620487 FI Annotated Anodyne CCCCc1cc(O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2n1 ZINC000263620809 FI Annotated Mild CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(/C=C/C(=O)O)cc1 ZINC000263621175 FI Annotated Anodyne COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 ZINC000263637754 FI Annotated Anodyne COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@H]12 ZINC000263637755 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@]12C ZINC000263638771 FI Annotated Anodyne CC(=O)OC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@]12C ZINC000263638772 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO ZINC000263638773 FI Annotated Anodyne CC(=O)OC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO ZINC000263638774 FI Annotated Anodyne O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)c2c1cccc2[N+](=O)[O-] ZINC000026500820 FI Annotated Mild Cc1cccc2c(NCCC[N+](C)(C)[O-])c3c([N+](=O)[O-])ccc(C)c3nc12 ZINC000026506686 FI Annotated Clean C[C@@H](N/C(=N/c1cc(Cl)cc(Cl)c1)NCC(=O)O)c1ccccc1 ZINC000026507003 FI Annotated Mild CC(C)(C)c1cc(-c2cn3ncc(=O)nc3s2)cc(C(C)(C)C)c1O ZINC000026508047 FI Annotated Anodyne C[C@H](COc1ccccc1F)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1 ZINC000026568179 FI Annotated Anodyne COC(=O)CCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1 ZINC000026569708 FI Annotated Anodyne COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCC(=O)O)=N1 ZINC000026573861 FI Annotated Anodyne COc1ccc(C[C@@H]2CCCc3c(C=O)nn(-c4ccc(F)cc4)c32)cc1 ZINC000026574570 FI Annotated Anodyne COc1ccc(C[C@H]2CCCc3c(C=O)nn(-c4ccc(F)cc4)c32)cc1 ZINC000026574572 FI Annotated Anodyne Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)cc(C)n1 ZINC000026575513 FI Annotated Anodyne CCc1cc2c3[nH]c4ccc(Br)cc4c3cc[n+]2nc1CC ZINC000026576811 FI Annotated Bother CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000026577262 FI Annotated Anodyne COc1cccc2c1oc1c3c(cc4c1c2nn4CCO)OC(C)(C)C=C3 ZINC000026577551 FI Annotated Bother CNC(=S)C1=CC2(Oc3ccc([N+](=O)[O-])cc31)C1CC3CC(C1)CC2C3 ZINC000026578719 FI Annotated Bother COC(=O)CCCC[C@@H](O)/C=C/C#CCCCCCCCCCC(=O)O ZINC000026578783 FI Annotated Mild COC(=O)CCCC[C@H](O)/C=C/C#CCCCCCCCCCC(=O)O ZINC000026578784 FI Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@H](C)CC[C@H]12 ZINC000026579409 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@@H]3CCOC3=O)[C@@H](C)CC[C@H]12 ZINC000026579410 FI Annotated Anodyne CN(C)CCNC(=O)c1cccc2c1Oc1cc(Cl)c(Cl)cc1O2 ZINC000026579609 FI Annotated Anodyne CN(C)CCn1nc2c3ccccc3n(C)c3c4c(cc1c23)OC(C)(C)C=C4 ZINC000026579698 FI Annotated Bother Cc1nn(-c2cccc(Br)c2)c2c1c(=O)oc1ccccc12 ZINC000026579947 FI Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3ccncc3)(c3ccncc3)[C@@H]2c2cccc[n+]21 ZINC000026637133 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3ccncc3)(c3ccncc3)[C@H]2c2cccc[n+]21 ZINC000026637138 FI Annotated Anodyne c1ccc(C2(c3ccccn3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)nc1 ZINC000026637144 FI Annotated Anodyne c1ccc(C2(c3ccccn3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)nc1 ZINC000026637150 FI Annotated Anodyne C#CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(c23)O1 ZINC000026640722 FI Annotated Mild CC1(C)[C@@H]2CC(CNC(=S)Nc3ccc(Br)cn3)C[C@H]1C2 ZINC000026644003 FI Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3nccs3)(c3nccs3)[C@@H]2c2cccc[n+]21 ZINC000026646542 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3nccs3)(c3nccs3)[C@H]2c2cccc[n+]21 ZINC000026646547 FI Annotated Anodyne c1cncc(C2(c3cccnc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 ZINC000026646589 FI Annotated Anodyne c1cncc(C2(c3cccnc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 ZINC000026646594 FI Annotated Anodyne O=C(O)[C@@H]1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1 ZINC000026647737 FI Annotated Anodyne O=C(O)[C@H]1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1 ZINC000026647742 FI Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3cncs3)(c3cncs3)[C@@H]2c2cccc[n+]21 ZINC000026649949 FI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cncs3)(c3cncs3)[C@H]2c2cccc[n+]21 ZINC000026649954 FI Annotated Anodyne CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C ZINC000026660157 FI Annotated Anodyne CN1CCN(C[C@@H]2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1 ZINC000026662718 FI Annotated Anodyne CN1CCN(C[C@H]2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1 ZINC000026662724 FI Annotated Anodyne CCOC(=O)C(=O)/C=C/C(Sc1ccccc1)=C(\O)c1ccccc1 ZINC000026663445 FI Annotated Mild COc1ccc(C[C@@]2(C)NCCc3c2[nH]c2ccc(C)cc32)cc1OC ZINC000026664986 FI Annotated Anodyne COc1ccc(C[C@]2(C)NCCc3c2[nH]c2ccc(C)cc32)cc1OC ZINC000026664991 FI Annotated Anodyne Cc1c(O)c(=O)ccn1CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026667975 FI Annotated Anodyne COc1ccc(C[C@@H]2NC[C@@H](C)c3c2[nH]c2c(C)cccc32)cc1OC ZINC000026668127 FI Annotated Anodyne COc1ccc(C[C@H]2NC[C@@H](C)c3c2[nH]c2c(C)cccc32)cc1OC ZINC000026668131 FI Annotated Anodyne COc1ccc(C[C@@H]2NC[C@H](C)c3c2[nH]c2c(C)cccc32)cc1OC ZINC000026668135 FI Annotated Anodyne COc1ccc(C[C@H]2NC[C@H](C)c3c2[nH]c2c(C)cccc32)cc1OC ZINC000026668138 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CC[C@@H]3C4)on2)cc1 ZINC000026669294 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CC[C@H]3C4)on2)cc1 ZINC000026669299 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3\CN4CC[C@@H]3C4)on2)cc1 ZINC000026674910 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3\CN4CC[C@H]3C4)on2)cc1 ZINC000026674913 FI Annotated Anodyne COc1cccc2c1ncc1c(CCO)cn(-c3ccc(F)cc3C)c12 ZINC000026717976 FI Annotated Anodyne O=c1c2c(ncn2CC2CCCCC2)c2cccnc2n1-c1ccccc1 ZINC000026718203 FI Annotated Anodyne CCN(CC)C[C@H]1C[C@@H]2COC(c3ccccc3)(c3ccccc3)[C@@H]2O1 ZINC000026718648 FI Annotated Anodyne Cc1cccc(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)c1 ZINC000026727669 FI Annotated Anodyne CN1C/C(=C\c2cccs2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c2C1 ZINC000026730776 FI Annotated Mild CN1CC2=C(N=C(S)N[C@@H]2c2cccs2)/C(=C/c2cccs2)C1 ZINC000026732679 FI Annotated Anodyne CN1CC2=C(N=C(S)N[C@H]2c2cccs2)/C(=C/c2cccs2)C1 ZINC000026732683 FI Annotated Anodyne O=C1N(c2ccccc2)c2ccccc2[C@]1(CCCO)Cc1ccncc1 ZINC000026733241 FI Annotated Anodyne O=C1N(c2ccccc2)c2ccccc2[C@@]1(CCCO)Cc1ccncc1 ZINC000026733245 FI Annotated Anodyne Cc1cccc(-n2nc(C)c3c(N4CCOCC4)nc4ccccc4c32)c1 ZINC000026737842 FI Annotated Anodyne Oc1c(CN2CCCC2)cc(Nc2ccccc2)cc1CN1CCCC1 ZINC000026743566 FI Annotated Clean CC1=CC[C@@H](C[C@@H](O)c2ccccc2I)C(=O)CC1 ZINC000026745260 FI Annotated Anodyne CC1=CC[C@H](C[C@@H](O)c2ccccc2I)C(=O)CC1 ZINC000026745265 FI Annotated Anodyne CC1=CC[C@@H](C[C@H](O)c2ccccc2I)C(=O)CC1 ZINC000026745270 FI Annotated Anodyne CC1=CC[C@H](C[C@H](O)c2ccccc2I)C(=O)CC1 ZINC000026745275 FI Annotated Anodyne CC(C)OC(=O)c1cc(NC(=S)C2=COCCS2)ccc1Cl ZINC000026746062 FI Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@@H]1C2 ZINC000026748670 FI Annotated Anodyne CC1(C)[C@H]2CC[C@H](CN3CCC(N4C(=O)Cc5ccccc54)CC3)[C@@H]1C2 ZINC000026748674 FI Annotated Anodyne Cn1c(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)nn2c1=S ZINC000026816228 FI Annotated Anodyne CCCc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)s1 ZINC000026821203 FI Annotated Mild Cc1c2c(=O)oc3ccccc3c2nn1-c1cccc(Br)c1 ZINC000026823210 FI Annotated Anodyne CC(C)c1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)s1 ZINC000026823505 FI Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)s1 ZINC000026823509 FI Annotated Mild CCN(CC)CCS[C@H]1c2cc(OC)ccc2OCc2ncccc21 ZINC000026835856 FI Annotated Anodyne CCN(CC)CCS[C@@H]1c2cc(OC)ccc2OCc2ncccc21 ZINC000026835860 FI Annotated Anodyne NC(=O)N/N=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026841381 FI Annotated Reactive Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCC(c2ccccc2)CC1 ZINC000026850320 FI Annotated Anodyne OC[C@@H](O)COc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026947948 FI Annotated Anodyne OC[C@H](O)COc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026947959 FI Annotated Anodyne OC[C@@H](O)COc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026947966 FI Annotated Anodyne OC[C@H](O)COc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026947974 FI Annotated Anodyne CSc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2c(SC)c1SC ZINC000026969846 FI Annotated Anodyne CCn1c2ccccc2c2c3c(=O)n(Cc4[nH]cnc4C)ccc3ccc21 ZINC000026972839 FI Annotated Bother Cc1ccc([C@@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027082865 FI Annotated Anodyne Cc1ccc([C@H]2CC(=O)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027082872 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027086863 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027086870 FI Annotated Anodyne CN(C)CCN=C1c2ccccc2[C@@H]2[C@@H](c3ccccc31)C2(Cl)Cl ZINC000027086883 FI Annotated Mild CN(C)CCN=C1c2ccccc2[C@@H]2[C@H](c3ccccc31)C2(Cl)Cl ZINC000027086890 FI Annotated Mild CN(C)CCN=C1c2ccccc2[C@H]2[C@H](c3ccccc31)C2(Cl)Cl ZINC000027086900 FI Annotated Mild O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087867 FI Annotated Bother O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087874 FI Annotated Bother O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1ccccc1n2O ZINC000027089233 FI Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1ccccc1n2O ZINC000027089238 FI Annotated Anodyne CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 ZINC000027093429 FI Annotated Anodyne O=C1C[C@H](c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094969 FI Annotated Anodyne O=C1C[C@@H](c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094978 FI Annotated Anodyne Cc1cc(C)cc(Sc2c(C)c(=S)nc(O)n2CSCCO)c1 ZINC000027099177 FI Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccccc3c(=O)c21 ZINC000027099454 FI Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccccc3c(=O)c21 ZINC000027099460 FI Annotated Anodyne Cc1nc2c([nH]1)C(O)=C(Cl)/C(=N\c1cccc(Cl)c1Cl)C2=O ZINC000027104642 FI Annotated Mild CC(C)(C)c1cc(-c2cn3c(n2)S(=O)(=O)C=C3)cc(C(C)(C)C)c1O ZINC000027104938 FI Annotated Anodyne CCN(CC)CCn1[nH]c2c3cc(C)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027106882 FI Annotated Bother COc1cc(OC)cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 ZINC000027107025 FI Annotated Anodyne Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1cc(Cl)c(O)c(Cl)c1 ZINC000027107181 FI Annotated Clean Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1cc(Cl)c(O)c(Cl)c1 ZINC000027107184 FI Annotated Clean Oc1ccc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027107518 FI Annotated Anodyne Oc1ccc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027107521 FI Annotated Anodyne Oc1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027108018 FI Annotated Anodyne Oc1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027108021 FI Annotated Anodyne Oc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027108650 FI Annotated Anodyne Oc1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027108653 FI Annotated Anodyne Oc1ccc2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 ZINC000027109092 FI Annotated Anodyne Oc1ccc2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 ZINC000027109093 FI Annotated Anodyne Cc1nc2c([nH]1)C(O)=C(Cl)/C(=N\c1ccc(C(F)(F)F)cc1)C2=O ZINC000027109464 FI Annotated Mild Cc1nc2c([nH]1)C(O)=C(Cl)/C(=N\c1ccc(Cl)cc1Cl)C2=O ZINC000027179357 FI Annotated Mild c1cc[n+]2c(c1)[C@H]1c3c(ccc4c3OC4)[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027179665 FI Annotated Anodyne c1cc[n+]2c(c1)[C@@H]1c3c(ccc4c3OC4)[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027179672 FI Annotated Anodyne OCc1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027179676 FI Annotated Anodyne OCc1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027179681 FI Annotated Anodyne c1ccc(C(CCNC2=NCc3ccccc3CN2)c2ccccc2)cc1 ZINC000027179810 FI Annotated Anodyne N#C[C@@]12CC(c3ccoc3)(c3ccoc3)[C@@H](c3ccccc31)c1cccc[n+]12 ZINC000027180723 FI Annotated Mild N#C[C@]12CC(c3ccoc3)(c3ccoc3)[C@H](c3ccccc31)c1cccc[n+]12 ZINC000027180731 FI Annotated Mild COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1 ZINC000027182182 FI Annotated Anodyne Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000027184502 FI Annotated Clean Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1cccc(C(F)(F)F)c1 ZINC000027184509 FI Annotated Clean CN1C(=O)c2cc3ccccc3n2C(=O)[C@H]1SSCc1ccccc1 ZINC000027187022 FI Annotated Reactive Oc1ccc2[n+](c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 ZINC000027190642 FI Annotated Anodyne Oc1ccc2[n+](c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 ZINC000027190647 FI Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CCCC2CCCCC2)cc1 ZINC000027203587 FI Annotated Anodyne C[C@@H](CN1CC[C@@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 ZINC000027207124 FI Annotated Anodyne C[C@H](CN1CC[C@@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 ZINC000027207130 FI Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CCCC2CCCCC2)cc1 ZINC000027211225 FI Annotated Anodyne CCCCc1nc2[nH]ncc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 ZINC000027215905 FI Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/C=C/c3ccc(O)c(OC)c3)oc2c1 ZINC000027216187 FI Annotated Anodyne CCn1c2c(c3cc(OC(C)=O)ccc31)CCc1cc(OC(C)=O)ccc1-2 ZINC000027304363 FI Annotated Anodyne CCn1c2c(c3ccc(OC(C)=O)cc31)CCc1cc(OC(C)=O)ccc1-2 ZINC000027304368 FI Annotated Anodyne CC/C(=N/NC(N)=O)c1ccccc1Oc1ccc(Br)cc1 ZINC000027314116 FI Annotated Reactive CC/C(=N/NC(N)=O)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000027315822 FI Annotated Reactive COC(=O)[C@@H]1C(=O)C=C(Nc2cc(Cl)c(Cl)c(Cl)c2)C[C@H]1C ZINC000027321008 FI Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)c(Cl)c2Cl)C[C@H]1C ZINC000027323994 FI Annotated Mild CC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc3cc(F)ccc3c12 ZINC000027328411 FI Annotated Anodyne CN(C)CCc1nnc2cc(-c3ccccc3)c3cc(Cl)ccc3n12 ZINC000027329107 FI Annotated Anodyne COC(=O)c1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 ZINC000027330169 FI Annotated Anodyne C[C@H](Cc1c[nH]cn1)/N=C(\c1ccc(F)cc1)c1ccc(Cl)cc1O ZINC000027330344 FI Annotated Mild C[C@H](Cc1c[nH]cn1)/N=C(\c1ccccc1)c1c(O)cc(F)cc1Cl ZINC000027330347 FI Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C ZINC000027406800 FI Annotated Mild CCn1cc(C(=O)O)c(=O)c2ccc(/C=C/c3nc(C(C)C)cs3)cc21 ZINC000027426155 FI Annotated Anodyne Clc1ccc(C(c2ccc(Cl)cc2)(c2nc[nH]n2)n2ccnc2)cc1 ZINC000027428094 FI Annotated Anodyne Clc1ccc(C(c2ccc(Cl)cc2)(c2cn[nH]n2)n2ccnc2)cc1 ZINC000027429790 FI Annotated Anodyne Oc1ccc2c(c1Cc1ccccc1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000027430749 FI Annotated Anodyne Oc1ccc2c(c1)OC[C@H]1c3cc4c(c(Cc5ccccc5)c3O[C@@H]21)OCO4 ZINC000027432529 FI Annotated Anodyne Cc1cc(=O)oc2c(OCCCN(C)C)c3oc4c(c3cc12)CCCC4 ZINC000027442126 FI Annotated Anodyne Cc1cc(=O)oc2c(OCCCN(C)C)c3oc4ccccc4c3cc12 ZINC000027517341 FI Annotated Bother Cc1cc(=O)oc2cc3oc4c(c3c(OCCCN(C)C)c12)CCCC4 ZINC000027517893 FI Annotated Anodyne CCOC1(OCC)[C@@H]2c3cc(Cl)ccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000027518456 FI Annotated Anodyne CCOC1(OCC)[C@H]2c3cc(Cl)ccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000027518457 FI Annotated Anodyne Cc1cc(=O)oc2cc3oc4ccccc4c3c(OCCCN(C)C)c12 ZINC000027518565 FI Annotated Bother CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCC(=O)C=[N+]=[N-])cc1 ZINC000027519090 FI Annotated Clean CC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000027523169 FI Annotated Anodyne Cc1c(C(=O)NCCc2ccccn2)oc2cc(-c3ccccc3)cc(O)c12 ZINC000027523416 FI Annotated Anodyne CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000027523469 FI Annotated Anodyne CC[C@@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O ZINC000027525336 FI Annotated Anodyne CC[C@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O ZINC000027525338 FI Annotated Anodyne Nc1cc(CO)cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)c1 ZINC000027526018 FI Annotated Clean COc1cc2nc(SC/C=C/c3ccccc3)oc(=O)c2cc1OC ZINC000027527251 FI Annotated Anodyne C/C(=N\O[C@@H](Cn1ccnc1)c1ccc(F)cc1F)c1ccccc1F ZINC000027552064 FI Annotated Mild C/C(=N\O[C@H](Cn1ccnc1)c1ccc(F)cc1F)c1ccccc1F ZINC000027552067 FI Annotated Mild COC(=O)Cc1cccc2c(=O)c3ccc(OCC=C(C)C)c(C)c3oc12 ZINC000027554399 FI Annotated Bother COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(C)c([N+](=O)[O-])c(C)c1)C2 ZINC000027555013 FI Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(C)c(OC(C)=O)c(C)c1)C2 ZINC000027555178 FI Annotated Mild CN1CCN(CCS[C@@H]2Cc3ccccc3Oc3ccccc32)CC1 ZINC000027557843 FI Annotated Anodyne CN1CCN(CCS[C@H]2Cc3ccccc3Oc3ccccc32)CC1 ZINC000027557845 FI Annotated Anodyne CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H]3[C@@H](C)C(=O)N(CC(C)(C)C)[C@H](O1)[C@H]23 ZINC000027558783 FI Annotated Anodyne CO[C@@]1(C)CC[C@@H]2[C@H]3[C@@H](CC[C@H]2C)[C@@H](C)C(=O)N(CC(C)(C)C)[C@@H]3O1 ZINC000027558785 FI Annotated Anodyne CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@@H]3[C@@H](C)C(=O)N(CC(C)(C)C)[C@H](O1)[C@H]23 ZINC000027558787 FI Annotated Anodyne CO[C@@]1(C)CC[C@@H]2[C@H]3[C@H](CC[C@H]2C)[C@@H](C)C(=O)N(CC(C)(C)C)[C@@H]3O1 ZINC000027558789 FI Annotated Anodyne COc1cc2c(cc1OCc1ccccc1)CCN=C2c1ccccc1O ZINC000027559964 FI Annotated Anodyne CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccncc2)/C1=C(\O)OC1CCCCC1 ZINC000027562631 FI Annotated Anodyne CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccncc2)/C1=C(\O)OC1CCCCC1 ZINC000027562634 FI Annotated Anodyne CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O ZINC000027563011 FI Annotated Anodyne CCOC(=O)C1=C[C@@H]2[C@@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 ZINC000027623747 FI Annotated Anodyne CCOC(=O)C1=C[C@H]2[C@@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 ZINC000027623754 FI Annotated Anodyne CCOC(=O)C1=C[C@@H]2[C@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 ZINC000027623760 FI Annotated Anodyne CCOC(=O)C1=C[C@H]2[C@H](CC)CCN3CCc4c(n1c1ccccc41)[C@@H]23 ZINC000027623766 FI Annotated Anodyne Cc1sc(/N=C(\N)NCc2ccccc2)nc1-c1c[nH]c2ccccc12 ZINC000027629020 FI Annotated Mild Cc1[nH]c2ccccc2c1-c1csc(/N=C(\N)NCc2ccccc2)n1 ZINC000027629939 FI Annotated Mild N/C(=N\c1nc(-c2cc3cc(F)ccc3[nH]2)cs1)NCc1ccccc1 ZINC000027630728 FI Annotated Mild Cc1ccc2[nH]cc(-c3csc(/N=C(\N)NCc4ccccc4)n3)c2c1 ZINC000027633983 FI Annotated Mild Cc1cccc2[nH]cc(-c3csc(/N=C(\N)NCc4ccccc4)n3)c12 ZINC000027633995 FI Annotated Mild Cc1ccc2c(-c3csc(/N=C(\N)NCc4ccccc4)n3)c[nH]c2c1 ZINC000027634388 FI Annotated Mild Cc1cccc2c(-c3csc(/N=C(\N)NCc4ccccc4)n3)c[nH]c12 ZINC000027635492 FI Annotated Mild O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](CC1CCCC1)C2 ZINC000027636260 FI Annotated Anodyne O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](CC1CCCC1)C2 ZINC000027636264 FI Annotated Anodyne CC(=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000027648402 FI Annotated Clean O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCN1 ZINC000027654167 FI Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4ccccc4s1)C3=CC2=O ZINC000027655763 FI Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4ccccc4s1)C3=CC2=O ZINC000027655765 FI Annotated Mild CC(C)(C/C=C1\C[C@H]2C[C@@H](O)[C@H](C#C[C@@H](O)C3CCCCC3)[C@H]2C1)CCO ZINC000027721327 FI Annotated Mild Cc1c(O)c2ccccc2c2c1sc(Nc1ccccc1)[n+]2CCO ZINC000027721429 FI Annotated Anodyne Cc1c(O)c2ccccc2c2c1sc(NC1CCCCC1)[n+]2CCO ZINC000027721436 FI Annotated Anodyne O[C@H]1Cc2ccccc2C[C@@H]1NCCC(c1ccccc1)c1ccccc1 ZINC000027726595 FI Annotated Anodyne CC(=O)c1ccc2c(c1)[C@@](O)(C[C@@H](C)CN(C)C)c1ccccc1S2 ZINC000027731847 FI Annotated Anodyne CC(=O)c1ccc2c(c1)[C@@](O)(C[C@H](C)CN(C)C)c1ccccc1S2 ZINC000027731854 FI Annotated Anodyne CC(=O)c1ccc2c(c1)[C@](O)(C[C@@H](C)CN(C)C)c1ccccc1S2 ZINC000027731860 FI Annotated Anodyne CC(=O)c1ccc2c(c1)[C@](O)(C[C@H](C)CN(C)C)c1ccccc1S2 ZINC000027731867 FI Annotated Anodyne Nc1nc(NCc2ccccc2)cc(Oc2ccc(Br)cc2)n1 ZINC000027737624 FI Annotated Anodyne O=C1CN(Cc2ccccc2)C(=S)N1c1c(Cl)cccc1Cl ZINC000027751483 FI Annotated Anodyne C/C=C/CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 ZINC000027850479 FI Annotated Clean C/C=C/CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 ZINC000027850487 FI Annotated Clean CN1c2cc3c(cc2[C@@]2(C)CCCC[C@@H]12)c(C(F)(F)F)cc(=O)n3C ZINC000027854526 FI Annotated Anodyne CCCCNCc1cc(C(C)(C)C)cc(I)c1O ZINC000027858341 FI Annotated Clean O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCc1ccccn1 ZINC000027859187 FI Annotated Bother O=C(NCc1c(O)c(Cl)cc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000027859332 FI Annotated Clean CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(=O)N(C)C)cc1 ZINC000027859962 FI Annotated Anodyne CCCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027861586 FI Annotated Anodyne CCCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027861592 FI Annotated Anodyne CCN1CCC[C@@H](N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1 ZINC000027862537 FI Annotated Bother CCN1CCC[C@H](N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1 ZINC000027862544 FI Annotated Bother CCN(CC)CCSc1ccc(CO)c2sc3ccccc3c(=O)c12 ZINC000027865578 FI Annotated Bother CCN1CCC[C@@H]1CN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000027868054 FI Annotated Bother CCN1CCC[C@H]1CN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000027868060 FI Annotated Bother Cc1cc(Cl)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c2cc(Cl)ccc12 ZINC000027871034 FI Annotated Anodyne Cc1cc(Cl)c(CC[C@H]2C[C@@H](O)CC(=O)O2)c2cc(Cl)ccc12 ZINC000027871041 FI Annotated Anodyne Cc1cc(Cl)c2ccc(Cl)cc2c1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027876016 FI Annotated Anodyne Cc1cc(Cl)c2ccc(Cl)cc2c1CC[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027876026 FI Annotated Anodyne COCC(=O)O[C@@H]1C#CCCCCC#C/C1=C\c1ccc2ccccc2c1 ZINC000027877540 FI Annotated Mild COCC(=O)O[C@H]1C#CCCCCC#C/C1=C\c1ccc2ccccc2c1 ZINC000027877548 FI Annotated Mild COCC(=O)O[C@@H]1C#CCCCCC#C/C1=C\c1cccc2ccccc12 ZINC000027877554 FI Annotated Mild COCC(=O)O[C@H]1C#CCCCCC#C/C1=C\c1cccc2ccccc12 ZINC000027877559 FI Annotated Mild CC(C)[C@@H](C)CC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027879505 FI Annotated Anodyne CC(C)[C@H](C)CC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027879512 FI Annotated Anodyne CC(C)[C@@H](C)CC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027879518 FI Annotated Anodyne CC(C)[C@H](C)CC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027879525 FI Annotated Anodyne CC(C)[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027880965 FI Annotated Mild CC(C)[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027880971 FI Annotated Mild CCCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 ZINC000027881626 FI Annotated Anodyne CC(=O)N1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1 ZINC000027886618 FI Annotated Anodyne CC(C)=CC[C@](C)(O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027889012 FI Annotated Anodyne CC(C)=CC[C@](C)(O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027889018 FI Annotated Anodyne CC(C)=CC[C@@](C)(O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027889025 FI Annotated Anodyne CC(C)=CC[C@@](C)(O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2 ZINC000027889032 FI Annotated Anodyne CCCN[C@@H](c1ccc(OC)cc1)[C@H](NCCC)c1ccc(OC)cc1 ZINC000027891400 FI Annotated Anodyne CCCN[C@@H](c1ccc(OC)cc1)[C@@H](NCCC)c1ccc(OC)cc1 ZINC000027891407 FI Annotated Anodyne CCCN[C@H](c1ccc(OC)cc1)[C@H](NCCC)c1ccc(OC)cc1 ZINC000027891413 FI Annotated Anodyne Oc1ccc(Nc2nnc(Cl)c3ccccc23)cc1CN1CCCC1 ZINC000027891805 FI Annotated Clean C/C(=C\C(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2)C(C)C ZINC000027893682 FI Annotated Mild C/C(=C\C(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2)C(C)C ZINC000027893687 FI Annotated Mild N[C@@H]1Cc2c3n(c4ccc(O)cc24)C(=O)C[C@@]2(c4ccccc4)CCC[C@@H]1[C@@H]32 ZINC000027896619 FI Annotated Anodyne O[C@@H]1c2cccc3cccc(c23)C1(Cc1ccncc1)Cc1ccncc1 ZINC000027897433 FI Annotated Anodyne O[C@H]1c2cccc3cccc(c23)C1(Cc1ccncc1)Cc1ccncc1 ZINC000027897439 FI Annotated Anodyne CCC[C@@]12CC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027898996 FI Annotated Mild CCC[C@]12CC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027898998 FI Annotated Mild CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027900575 FI Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027900579 FI Annotated Mild Cn1c(-c2ccccc2)c(CC(=O)N(CCC#N)C2CC2)c2ccccc21 ZINC000027979759 FI Annotated Mild CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)CCCCN1CC1)c1ccc(O)cc1 ZINC000027980039 FI Annotated Anodyne CC(C)(C)CCOC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027981168 FI Annotated Mild O[C@@H]1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1 ZINC000027981956 FI Annotated Anodyne O[C@H]1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1 ZINC000027981958 FI Annotated Anodyne CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC)c(Cl)c1Cl)C2 ZINC000027983228 FI Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC)c(Cl)c1Cl)C2 ZINC000027983234 FI Annotated Mild O=C(OCC1CCCCC1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027987824 FI Annotated Mild C=CCN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12 ZINC000027988020 FI Annotated Mild C/C(=N\N=C(/S)N1CC2CCC(CC2)C1)c1nccc2ccccc12 ZINC000027990785 FI Annotated Mild CCOC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027995425 FI Annotated Anodyne CCOC(=O)[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027995431 FI Annotated Anodyne CCc1cc2c(s1)Nc1ccc(F)cc1N=C2NCCN1CCCC1 ZINC000028003967 FI Annotated Anodyne CSc1ccc2c(c1)c(Cl)c(C(=O)N(C)c1ccccc1)c(=O)n2C ZINC000028004315 FI Annotated Anodyne CC(=O)N1c2ccccc2S[C@H]1c1cccc(OCCCN(C)C)c1 ZINC000028007696 FI Annotated Anodyne CC(=O)N1c2ccccc2S[C@@H]1c1cccc(OCCCN(C)C)c1 ZINC000028007699 FI Annotated Anodyne Nc1ccc(OCCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 ZINC000028007708 FI Annotated Clean Nc1ccc(OCCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 ZINC000028007712 FI Annotated Clean Nc1ccc(OCCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 ZINC000028007715 FI Annotated Clean Nc1ccc(OCCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 ZINC000028007717 FI Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)ccc1O ZINC000028009758 FI Annotated Clean CCOC(=O)[C@@H](Cc1csc(C)n1)Nc1nc2cc(C(C)C)ccc2o1 ZINC000028012198 FI Annotated Anodyne CCOC(=O)[C@H](Cc1csc(C)n1)Nc1nc2cc(C(C)C)ccc2o1 ZINC000028012202 FI Annotated Anodyne Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 ZINC000028012364 FI Annotated Anodyne Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 ZINC000028012369 FI Annotated Anodyne Cn1cccc1CCNC(=O)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 ZINC000028012373 FI Annotated Anodyne CC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCCN(C)C ZINC000028014317 FI Annotated Anodyne CC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCCN(C)C ZINC000028014322 FI Annotated Anodyne Nc1cc2[n+](c3cc(Br)ccc13)CCc1c-2[nH]c2ccccc12 ZINC000028014416 FI Annotated Anodyne S=C=Nc1ccc2oc(-c3sccc3CN3CCOCC3)nc2c1 ZINC000028022539 FI Annotated Reactive CN1CCN(Cc2ccc(-c3nc4cc(N=C=S)ccc4o3)s2)CC1 ZINC000028022892 FI Annotated Reactive CCN(CC)CCCCCCNc1cc(OC)cc2c(C)cc(=O)[nH]c12 ZINC000028085569 FI Annotated Anodyne S=C=Nc1ccc2oc(-c3ccc(CN4CCOCC4)s3)nc2c1 ZINC000028086964 FI Annotated Reactive Cc1ccc2oc(S(=O)(=O)/N=C(\O)Nc3ccc(Cl)cc3)cc2c1 ZINC000028100301 FI Annotated Mild CN(CCCNc1ncnc2oc(-c3ccccc3)nc12)c1ccccc1 ZINC000028101611 FI Annotated Anodyne CCCCc1nc2c(cc1-c1ccc(Cl)cc1)C(=O)[C@@H](N)C(=S)N2 ZINC000028104656 FI Annotated Anodyne CN1CCC(=C2c3cc(Br)ccc3CCn3cccc32)CC1 ZINC000028109242 FI Annotated Clean Cc1ccccc1Sc1nc(Nc2ccc(C#N)cc2)c(=O)n(C)c1C ZINC000028115553 FI Annotated Mild N#Cc1c(N2CCc3ccccc3C2)cc(-c2ccc(Cl)cc2)oc1=O ZINC000028120885 FI Annotated Mild Nc1nc(-c2ccc(Br)o2)c2c(n1)-c1cc(Cl)ccc1C2 ZINC000028124748 FI Annotated Anodyne CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1N1CCCCC1 ZINC000028125000 FI Annotated Anodyne CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1N1CCCCC1 ZINC000028125006 FI Annotated Anodyne CCc1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2 ZINC000028128447 FI Annotated Anodyne CCCN1C(=O)c2ccccc2[C@@]1(OCCc1ccccn1)c1ccccc1 ZINC000028131413 FI Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(OCCc1ccccn1)c1ccccc1 ZINC000028131418 FI Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)O)CCCC3)cc2)c1 ZINC000028219430 FI Annotated Anodyne CS(=O)(=O)c1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1 ZINC000028220027 FI Annotated Anodyne CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccc(C=O)o1 ZINC000028224476 FI Annotated Anodyne Cc1cc(Cl)cc(Cl)c1C/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C ZINC000028230511 FI Annotated Anodyne Cc1cc(Cl)cc(Cl)c1C/N=c1\c(O)c(O)\c1=N/[C@@H](C)C(C)(C)C ZINC000028230515 FI Annotated Anodyne N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1 ZINC000028233411 FI Annotated Mild O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000028239750 FI Annotated Anodyne O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1C[C@@H]1CNc2ccccc21 ZINC000028239757 FI Annotated Anodyne O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1C[C@H]1CNc2ccccc21 ZINC000028239761 FI Annotated Anodyne O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1C[C@H]1CNc2ccccc21 ZINC000028239768 FI Annotated Anodyne NCCN(CCN)CCNC1CCCCCCCCCCCCCCC1 ZINC000028240056 FI Annotated Anodyne COc1cc(-c2nc(-c3ccc(N=C=S)cc3)no2)cc(OC)c1OC ZINC000028240335 FI Annotated Reactive O=C(/C=C/c1ccccc1)n1c(=O)oc2c3ncccc3c(Cl)cc21 ZINC000028246961 FI Annotated Anodyne c1ccc(N/N=C(\N=N\c2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000028260548 FI Annotated Mild COC(=O)CSCCCCCCCCOC1=C(C)C(=O)S[C@@H]1C ZINC000028334729 FI Annotated Mild COC(=O)CSCCCCCCCCOC1=C(C)C(=O)S[C@H]1C ZINC000028334736 FI Annotated Mild CCCCNC(=O)c1c[nH]c(=S)n1[C@@H](CC)c1ccc(F)c(F)c1 ZINC000028337587 FI Annotated Anodyne CCCCNC(=O)c1c[nH]c(=S)n1[C@H](CC)c1ccc(F)c(F)c1 ZINC000028337594 FI Annotated Anodyne CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)NCC(C)C)c[nH]c1=S ZINC000028337601 FI Annotated Anodyne CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)NCC(C)C)c[nH]c1=S ZINC000028337607 FI Annotated Anodyne CC1=C2CCc3cc(C(=O)Oc4ccc(F)cc4)ccc3N2CCC1=O ZINC000028337670 FI Annotated Mild CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028338705 FI Annotated Anodyne CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028338712 FI Annotated Anodyne CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCC2)c[nH]c1=S ZINC000028338720 FI Annotated Anodyne CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCC2)c[nH]c1=S ZINC000028338726 FI Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1ccc2ccoc2c1 ZINC000028346877 FI Annotated Mild CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCCC2)c[nH]c1=S ZINC000028346900 FI Annotated Anodyne CC[C@H](c1ccc(F)c(F)c1)n1c(C(=O)N2CCCCC2)c[nH]c1=S ZINC000028346904 FI Annotated Anodyne CCSCCOc1ccc(-c2cc(SCC)c(C#N)c(=O)o2)cc1 ZINC000028346961 FI Annotated Mild O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1cccc2ccoc12 ZINC000028351452 FI Annotated Mild Cc1cccnc1N1CCN(c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1 ZINC000028351578 FI Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1ccc2cc[nH]c2c1 ZINC000028351664 FI Annotated Mild CC[C@@H](c1ccc(F)c(C(F)(F)F)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028351705 FI Annotated Anodyne CC[C@H](c1ccc(F)c(C(F)(F)F)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028351710 FI Annotated Anodyne CCNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028351728 FI Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1cccc2cc[nH]c12 ZINC000028355878 FI Annotated Mild CCCCn1c(S)nnc1-c1sc(SC)c2c1CCCC2=O ZINC000028357472 FI Annotated Anodyne CCCN(CC1CC1)c1cc([C@@H](O)c2c(C)cc(C)cc2C)nc(C)n1 ZINC000028360883 FI Annotated Anodyne CCCN(CC1CC1)c1cc([C@H](O)c2c(C)cc(C)cc2C)nc(C)n1 ZINC000028360887 FI Annotated Anodyne Cc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@@H]2C)cc1 ZINC000028364060 FI Annotated Anodyne Cc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(=O)O)C[C@@H]2C)cc1 ZINC000028364065 FI Annotated Anodyne C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N+]4(C)O3)[C@@H]12 ZINC000028364439 FI Annotated Bother C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N+]4(C)O3)[C@@H]12 ZINC000028364445 FI Annotated Bother Fc1cc(-c2ccccc2Cl)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028383096 FI Annotated Anodyne O=C(CN1C(=O)CS[C@@H]1c1ccccc1)Nc1cccc2ccccc12 ZINC000028384406 FI Annotated Anodyne O=C(CN1C(=O)CS[C@H]1c1ccccc1)Nc1cccc2ccccc12 ZINC000028384412 FI Annotated Anodyne Nc1ccc2cccc(OCCCNc3ccc4c(c3)OC(F)(F)O4)c2n1 ZINC000028385790 FI Annotated Anodyne CC(C)c1ccc(C(=O)NCCCOc2cccc3ccc(N)nc23)cc1 ZINC000028390469 FI Annotated Anodyne COc1cc(C(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000028391445 FI Annotated Clean in-vivo C[C@@H]1C(c2ccc(Cl)cc2)=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc21 ZINC000028395985 FI Annotated Anodyne C[C@H]1C(c2ccc(Cl)cc2)=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc21 ZINC000028395990 FI Annotated Anodyne CCc1cc(Cl)ccc1/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000028456163 FI Annotated Mild Cc1ccccc1NC(=O)[C@@H](C)SC1=CC(=O)c2ccccc2C1=O ZINC000028457774 FI Annotated Mild Cc1ccccc1NC(=O)[C@H](C)SC1=CC(=O)c2ccccc2C1=O ZINC000028457777 FI Annotated Mild Cc1ccc(NC(=O)[C@@H](C)SC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000028457779 FI Annotated Mild Cc1ccc(NC(=O)[C@H](C)SC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000028457782 FI Annotated Mild COc1cc(O)c2c(=O)cc(-c3cccc(C(F)(F)F)c3F)[nH]c2c1 ZINC000028458111 FI Annotated Anodyne CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12 ZINC000028458384 FI Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000028459874 FI Annotated Mild O=S(=O)(/N=C(\O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000028461782 FI Annotated Mild N#CCCCOc1ccc(-c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1 ZINC000028462759 FI Annotated Mild N#CCCCOc1cccc(-c2cn[nH]c2-c2cc(Cl)c(O)cc2O)c1 ZINC000028463768 FI Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3cccc4ccccc34)cc2)c(=O)o1 ZINC000028464761 FI Annotated Anodyne COC(=O)c1ccc(NC(=O)c2sc3cc(C#N)ccc3c2Cl)cc1 ZINC000028465817 FI Annotated Mild Cc1noc(CSC[C@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000028466049 FI Annotated Anodyne COc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=N)NC(C)C)cc3c12 ZINC000028469617 FI Annotated Bother O=C(CSC1=CC(=O)c2ccccc2C1=O)Nc1cccc2ccccc12 ZINC000028469733 FI Annotated Mild Clc1cccc(Cl)c1Cn1cnc2c(N3CCCCC3)ncnc21 ZINC000028476557 FI Annotated Anodyne C=C1C(C)(C)[C@@]23CC[C@]1(C)C(=O)c1cccc(OCOC)c1[C@@H]2OC(=O)O3 ZINC000028477142 FI Annotated Mild COCOc1ccc2c(c1)[C@@H]1OC(=O)O[C@]13CCC(C)=C(CO2)C3(C)C ZINC000028478273 FI Annotated Anodyne C[C@@H](CCO)[C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028520285 FI Annotated Anodyne C[C@H](CCO)[C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028520287 FI Annotated Anodyne C[C@@H](CCO)[C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028520289 FI Annotated Anodyne C[C@H](CCO)[C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028520291 FI Annotated Anodyne COCOc1ccc2c(c1)[C@@H]1OC(=O)O[C@]13CCC(C)=C(CC2=O)C3(C)C ZINC000028520542 FI Annotated Anodyne COCOc1cccc2c1[C@@H]1OC(=O)O[C@]13CCC(C)=C(CO2)C3(C)C ZINC000028520663 FI Annotated Anodyne COCOc1cccc2c1[C@@H]1OC(=O)O[C@]13CCC(C)=C(COC2)C3(C)C ZINC000028520808 FI Annotated Anodyne COCOc1ccc2c(c1)[C@@H]1OC(=O)O[C@]13CCC(C)=C(COC2)C3(C)C ZINC000028521242 FI Annotated Anodyne CC[C@@]1(c2cccc(OC(=O)c3ccccc3N)c2)CCCCN(C)C1 ZINC000028522294 FI Annotated Anodyne CC[C@]1(c2cccc(OC(=O)c3ccccc3N)c2)CCCCN(C)C1 ZINC000028522296 FI Annotated Anodyne CCc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2o1 ZINC000028522430 FI Annotated Anodyne Cc1c(C(F)(F)F)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O ZINC000028522484 FI Annotated Anodyne Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C(C)C ZINC000028522648 FI Annotated Anodyne CCN(CC)CCNc1nccc(OCc2ccc(Cl)cc2Cl)n1 ZINC000028522928 FI Annotated Anodyne O=C(O)/C(=C/c1ccc(-c2ccccc2F)s1)NC(=O)c1ccccc1 ZINC000028523649 FI Annotated Anodyne Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1 ZINC000028523718 FI Annotated Anodyne CCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O ZINC000028523894 FI Annotated Anodyne CCCCn1c(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n[nH]c1=S ZINC000028523907 FI Annotated Anodyne NC(N)=NC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)cccc2s1 ZINC000028523913 FI Annotated Mild Cc1cc2c(c(O)c1Br)C(=O)C(=O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 ZINC000028526459 FI Annotated Clean CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 ZINC000028527500 FI Annotated Anodyne O=[N+]([O-])c1ccc2c3c1oc1ccccc1c3nn2CCN1CCCCC1 ZINC000028527883 FI Annotated Bother CC(=O)Nc1ccc(C2=Nn3cc(C)nc3Cc3ccc(Cl)cc32)cc1 ZINC000028528251 FI Annotated Anodyne N#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1cccc(O)c1 ZINC000028566470 FI Annotated Mild CC(C)(C)c1cc(/C=N/N=C(\N)c2ccncc2)cc(C(C)(C)C)c1O ZINC000028568221 FI Annotated Mild CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1 ZINC000028568592 FI Annotated Anodyne CC(C)(C)c1cc(/C=N/N=C(\N)c2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000028568714 FI Annotated Mild CCCN(c1c(CC)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1 ZINC000028568908 FI Annotated Anodyne COc1c(/C=N/N=C(\N)c2ccncc2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000028568918 FI Annotated Mild N#Cc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1 ZINC000028569624 FI Annotated Mild N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)c1 ZINC000028569627 FI Annotated Mild CCN(CC)CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 ZINC000028569646 FI Annotated Anodyne COc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1 ZINC000028569706 FI Annotated Anodyne CC(C)(C)c1cc(/C=N/N=C(\N)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000028569845 FI Annotated Mild N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1 ZINC000028570061 FI Annotated Mild N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1 ZINC000028570064 FI Annotated Mild Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(Cc1ccccc1)CC2 ZINC000028570181 FI Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(Cc1ccccc1)CC2 ZINC000028570182 FI Annotated Anodyne CCCCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570304 FI Annotated Bother CC(C)(C)c1cc(/C=N/N=C(\N)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000028570327 FI Annotated Mild CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2n1 ZINC000028571245 FI Annotated Mild CN(C)Cc1c2n(c3ccccc13)Cc1c(CN(C)C)c3ccccc3n1C2 ZINC000028572129 FI Annotated Anodyne Cc1cc(N(C)C(=O)C(F)(F)F)cc(OCc2cccc(Cl)c2)n1 ZINC000028572282 FI Annotated Anodyne O=C1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C[C@H]1F ZINC000028572428 FI Annotated Anodyne O=C1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C[C@@H]1F ZINC000028572429 FI Annotated Anodyne COc1c(C)cc2c(c1C)[C@@H]1CN(C(=O)OCc3ccccc3)CC[C@@H]1N2 ZINC000028572661 FI Annotated Anodyne CCN(CC)CCn1nc2c3ccccc3oc3c4nc(C)[nH]c4cc1c23 ZINC000028604314 FI Annotated Bother Cc1cc(-c2cccnc2)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 ZINC000028604391 FI Annotated Anodyne O=c1n(Cc2cc(Cl)ccc2O)ccn1-c1ccc(C(F)(F)F)cc1 ZINC000028604429 FI Annotated Clean COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(SC)cc3)[C@H]1CC2 ZINC000028635544 FI Annotated Anodyne Cc1ccc(-c2ncnc3c2ncn3C[C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000028636618 FI Annotated Anodyne CCCCN(CCCC)c1ccc2nc3ccc(=[N+](C)C)cc-3oc2c1 ZINC000028642782 FI Annotated Bother Cc1cccc(C)c1-n1c(=O)[nH]c2c(-c3ccccc3Cl)ncnc21 ZINC000028644745 FI Annotated Anodyne Cc1nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)c1C ZINC000028647377 FI Annotated Anodyne Cc1nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)c1C ZINC000028647380 FI Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)n1 ZINC000028647395 FI Annotated Anodyne Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)n1 ZINC000028647398 FI Annotated Anodyne O=C(O)CC[C@@H]1C[C@@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 ZINC000028648227 FI Annotated Anodyne O=C(O)CC[C@H]1C[C@@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 ZINC000028648230 FI Annotated Anodyne O=C(O)CC[C@@H]1C[C@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 ZINC000028648231 FI Annotated Anodyne O=C(O)CC[C@H]1C[C@H]1c1cccc(OCCc2ccc3c(n2)NCCC3)c1 ZINC000028648234 FI Annotated Anodyne CCCC[C@@H](COCCc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000028653717 FI Annotated Anodyne CCCC[C@H](COCCc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000028653720 FI Annotated Anodyne COc1ccc(C(=O)C[C@@H](O)c2ccc(OC)c(CC=C(C)C)c2)c(O)c1 ZINC000028653851 FI Annotated Anodyne COc1ccc(C(=O)C[C@H](O)c2ccc(OC)c(CC=C(C)C)c2)c(O)c1 ZINC000028653854 FI Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(NC34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000028654856 FI Annotated Bother C=Cc1c(-c2ccccc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1N ZINC000028655252 FI Annotated Anodyne COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)cc1 ZINC000028701730 FI Annotated Anodyne COc1ccccc1CCc1cn(Cc2ccccc2)c2nc(N)nc(C)c12 ZINC000028701734 FI Annotated Anodyne CC(=O)OC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000028701972 FI Annotated Anodyne C#Cc1ccc(N/C=C(\C(=O)NCCC)C(=O)c2ccccc2Cl)cc1 ZINC000028701985 FI Annotated Mild CCNC(=O)/C(=C\Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000028701992 FI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@@H](Cl)C[C@@H]2C2CCCCC2)cc1 ZINC000028704301 FI Annotated Reactive Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2C2CCCCC2)cc1 ZINC000028704319 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2C2CCCCC2)cc1 ZINC000028704321 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@H]2CC(C)C)cc1 ZINC000028704331 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@@H]2CC(C)C)cc1 ZINC000028704333 FI Annotated Anodyne N#Cc1c(O)nsc1Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000028707479 FI Annotated Mild CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C)C2 ZINC000028707893 FI Annotated Anodyne CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@@H](C)C2 ZINC000028707895 FI Annotated Anodyne O=C(c1c(F)cccc1F)N1CCc2c(cnn2-c2ccccc2Cl)C1 ZINC000028708537 FI Annotated Anodyne CC(=O)N(C)c1ccc(-c2cn3cc(Br)ccc3n2)cc1C ZINC000028710757 FI Annotated Anodyne CCc1nnc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)s1 ZINC000028712620 FI Annotated Anodyne CCc1nnc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)s1 ZINC000028712621 FI Annotated Anodyne Cc1nc(C)c(CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nc1C ZINC000028713652 FI Annotated Anodyne CN(C)CCCC(=O)Nc1ccc2cc3ccccc3cc2c1[N+](=O)[O-] ZINC000028713841 FI Annotated Bother O=C1Nc2ccccc2C(=O)N2C=C(c3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000028714147 FI Annotated Anodyne CC1=NC(=O)[C@@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@@H]2CCCCN12 ZINC000028755842 FI Annotated Anodyne CCCCCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 ZINC000028758535 FI Annotated Clean CCc1cc(C2=NCCO2)cc(C)c1OCCCCCc1cc(C)no1 ZINC000028759559 FI Annotated Anodyne NC/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028760727 FI Annotated Mild Clc1ccc(CN2CCc3ccccc3[C@@H]2Cn2cncn2)c(Cl)c1 ZINC000028762693 FI Annotated Anodyne Clc1ccc(CN2CCc3ccccc3[C@H]2Cn2cncn2)c(Cl)c1 ZINC000028762695 FI Annotated Anodyne C=CC(C)(C)c1c(OC)cc2oc3ccc(OC)c(OC)c3c(=O)c2c1O ZINC000028763056 FI Annotated Mild COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1C(C)(C)[C@H](C)O2 ZINC000028764054 FI Annotated Bother COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1C(C)(C)[C@@H](C)O2 ZINC000028764055 FI Annotated Bother COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccccc3)c2O)c1 ZINC000028765796 FI Annotated Anodyne O=C(CO)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 ZINC000028766055 FI Annotated Anodyne COc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cncnc2)c(Cl)c1 ZINC000028766709 FI Annotated Anodyne COc1ccc([C@](O)(c2ccc(Cl)cc2)c2cncnc2)c(Cl)c1 ZINC000028766711 FI Annotated Anodyne CCOc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 ZINC000028767407 FI Annotated Anodyne O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 ZINC000028768050 FI Annotated Anodyne O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 ZINC000028768052 FI Annotated Anodyne CCc1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1CC ZINC000028768815 FI Annotated Anodyne CCc1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1CC ZINC000028768833 FI Annotated Anodyne CC(=O)c1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)o1 ZINC000028769235 FI Annotated Anodyne Cc1cc(Nc2ccc(SCC(=O)O)cc2)c2c(ccc3c[nH]nc32)n1 ZINC000028770108 FI Annotated Anodyne Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)cc(-c3ccccc3)nc12 ZINC000028770826 FI Annotated Bother C[C@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C ZINC000028771235 FI Annotated Anodyne C[C@@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C ZINC000028771237 FI Annotated Anodyne CNCCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@@H]1C ZINC000028771239 FI Annotated Anodyne CNCCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C ZINC000028771240 FI Annotated Anodyne C[C@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CN(C)C ZINC000028771975 FI Annotated Anodyne C[C@@H]1c2cc(Cl)cc3c2N(CC3)c2ccccc2N1C(=O)CN(C)C ZINC000028771977 FI Annotated Anodyne Cc1cccc(-c2nn3c(=O)c4c5c(sc4nc3s2)CCCC5)c1 ZINC000028814816 FI Annotated Anodyne CCSC[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2n1COC ZINC000028817106 FI Annotated Mild CCSC[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2n1CC#N ZINC000028817115 FI Annotated Mild COC(=O)c1cn(-c2ccc(C(C)C)cc2)c2c1C(=O)C(C)=C(C)C2=O ZINC000028817975 FI Annotated Mild CN(C)CCN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O ZINC000028818010 FI Annotated Bother CC(C)(O)c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc2c1Br ZINC000028818432 FI Annotated Bother C[C@@](O)(c1[nH]c2cc(C(F)(F)F)c(C#N)cc2c1Cl)C(F)(F)F ZINC000028818444 FI Annotated Mild C[C@](O)(c1[nH]c2cc(C(F)(F)F)c(C#N)cc2c1Cl)C(F)(F)F ZINC000028818445 FI Annotated Mild CCOC(=O)/C=C/c1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O ZINC000028818708 FI Annotated Anodyne CCSC[C@@](C)(O)Cc1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000028820602 FI Annotated Bother CCSC[C@](C)(O)Cc1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000028820604 FI Annotated Bother O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S/C1=C\c1ccc2ncccc2c1 ZINC000028821318 FI Annotated Clean Cc1ccc2c(=O)n(C)c(-c3ccccc3C=O)c(Br)c2c1 ZINC000028821998 FI Annotated Anodyne FC(F)(F)c1cccc(-c2nc(Nc3ccncc3)c3nccnc3n2)c1 ZINC000028822239 FI Annotated Anodyne CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccccc1 ZINC000028823156 FI Annotated Anodyne CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccccc1 ZINC000028823157 FI Annotated Anodyne CC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 ZINC000028823238 FI Annotated Anodyne CC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 ZINC000028823241 FI Annotated Anodyne Oc1ccc(CCc2nnc(CCCC[C@@H]3CCSS3)o2)cc1O ZINC000028823693 FI Annotated Reactive Oc1ccc(CCc2nnc(CCCC[C@H]3CCSS3)o2)cc1O ZINC000028823694 FI Annotated Reactive Oc1ccc(-c2cc(CCCCC[C@@H](S)CCS)n[nH]2)cc1O ZINC000028823699 FI Annotated Mild Oc1ccc(-c2cc(CCCCC[C@H](S)CCS)n[nH]2)cc1O ZINC000028823700 FI Annotated Mild COc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1OC ZINC000028823701 FI Annotated Reactive COc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cc1OC ZINC000028823702 FI Annotated Reactive CO[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 ZINC000028823875 FI Annotated Anodyne CO[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 ZINC000028823876 FI Annotated Anodyne C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 ZINC000028824246 FI Annotated Anodyne C[C@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 ZINC000028824247 FI Annotated Anodyne CC1(C)C(=O)N(Cc2nc3ccccc3n2CCCC#N)c2ccccc21 ZINC000028824406 FI Annotated Mild N#CCCCCn1c(CN2C(=O)CCc3ccccc32)nc2ccccc21 ZINC000028824456 FI Annotated Mild O=C1CSc2ccccc2N1Cc1nc2ccccc2n1CCCCF ZINC000028824544 FI Annotated Anodyne O=C1N(c2ccccc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 ZINC000028824754 FI Annotated Clean O=C1N(c2ccccc2)c2ccccc2[C@]12NN=C(c1ccccc1)S2 ZINC000028824755 FI Annotated Clean ClC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028825005 FI Annotated Reactive CNCc1cc(C#CCCNC2CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825160 FI Annotated Mild CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CO ZINC000028825617 FI Annotated Anodyne CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000028825618 FI Annotated Anodyne NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 ZINC000028825841 FI Annotated Anodyne CC(C)Oc1cc(NC2(CCCN)CC2)c2nc(C(F)(F)F)ccc2n1 ZINC000028826055 FI Annotated Anodyne Cc1ccc(Cn2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3ccccc32)cc1 ZINC000028826437 FI Annotated Anodyne Cc1ccc(Cn2cc(/C=C3/[C@H](O)C4CCN3CC4)c3ccccc32)cc1 ZINC000028826438 FI Annotated Anodyne Cc1ccc2c(c1)c(/C=C1/[C@@H](O)C3CCN1CC3)cn2Cc1ccccc1 ZINC000028826443 FI Annotated Anodyne Cc1ccc2c(c1)c(/C=C1/[C@H](O)C3CCN1CC3)cn2Cc1ccccc1 ZINC000028826444 FI Annotated Anodyne O[C@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)N2CCC1CC2 ZINC000028826454 FI Annotated Anodyne O[C@@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)N2CCC1CC2 ZINC000028826455 FI Annotated Anodyne CNc1ccc(/C=C/C(=O)c2ccc(I)s2)cc1 ZINC000028826790 FI Annotated Mild Nc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1 ZINC000028826838 FI Annotated Anodyne O=C(c1ccco1)c1nc2cc(C(F)(F)F)ccc2nc1C(F)(F)F ZINC000028861838 FI Annotated Anodyne c1ccc(NCCNCc2ccc(CNCCNc3ccccc3)cc2)cc1 ZINC000028863074 FI Annotated Anodyne CCOC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)O2 ZINC000028867310 FI Annotated Anodyne CCOC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)O2 ZINC000028867312 FI Annotated Anodyne Cc1ccccc1[C@H]1CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1 ZINC000028867381 FI Annotated Anodyne O=c1ccc2cc(OC/C(=N\O)c3ccc(-c4ccccc4)cc3)ccc2[nH]1 ZINC000028867560 FI Annotated Mild O=c1ccc2ccc(OC/C(=N\O)c3ccc(-c4ccccc4)cc3)cc2[nH]1 ZINC000028867762 FI Annotated Mild O=c1ccc2cccc(OC/C(=N\O)c3ccc(-c4ccccc4)cc3)c2[nH]1 ZINC000028867792 FI Annotated Mild CN(C)Cc1cc(OCCF)ccc1Sc1ccc(Cl)cc1N ZINC000028870424 FI Annotated Anodyne CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N ZINC000028870435 FI Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1cccc(Cl)c1 ZINC000028870968 FI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1cccc(Cl)c1 ZINC000028870970 FI Annotated Mild C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)NCC(=O)O ZINC000028878847 FI Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)C2(c1ccc(N)cc1)c1ccc(N)cc1 ZINC000028883941 FI Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)C2(c1ccccc1O)c1ccccc1O ZINC000028883976 FI Annotated Anodyne O=C1Nc2ccc(Cl)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028883998 FI Annotated Anodyne O=C1Nc2c(Cl)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884164 FI Annotated Anodyne Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884529 FI Annotated Anodyne O=C1Nc2c(ccc(Cl)c2F)C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884550 FI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1 ZINC000028889276 FI Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)nc1 ZINC000028889281 FI Annotated Anodyne O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1cccc(F)c1 ZINC000028889285 FI Annotated Anodyne O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F ZINC000028889289 FI Annotated Anodyne O=S(=O)(c1ccc(/C=C/c2ccccc2F)nc1)c1ccccc1F ZINC000028889297 FI Annotated Anodyne O=S(=O)(c1ccc(/C=C/c2cccc(F)c2)nc1)c1ccccc1F ZINC000028889302 FI Annotated Anodyne O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F ZINC000028889328 FI Annotated Anodyne Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000028890109 FI Annotated Anodyne Cn1c([C@@](C)(O)CSCC(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028890381 FI Annotated Anodyne Cn1c([C@](C)(O)CSCC(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028890385 FI Annotated Anodyne COc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1OC ZINC000028898100 FI Annotated Anodyne O=c1[nH]c([C@@H]2CC[C@@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 ZINC000028898944 FI Annotated Anodyne O=c1[nH]c([C@H]2CC[C@@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 ZINC000028898950 FI Annotated Anodyne O=c1[nH]c([C@@H]2CC[C@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 ZINC000028898952 FI Annotated Anodyne O=c1[nH]c([C@H]2CC[C@H](N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 ZINC000028898957 FI Annotated Anodyne CCCCOC[C@H]1O[C@@H](CCC)[C@H](O)[C@@H](OCCCC)[C@@H]1OCCCC ZINC000028900833 FI Annotated Anodyne CCCCOC[C@H]1O[C@@H](CCC)[C@H](O)[C@@H](OCCCC)[C@H]1OCCCC ZINC000028900838 FI Annotated Anodyne CCCCOC[C@H]1O[C@@H](CCC)C(=O)[C@@H](OCCCC)[C@@H]1OCCCC ZINC000028901139 FI Annotated Anodyne CN(CCN(C)c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000028903422 FI Annotated Anodyne Cc1cc(O)n2nc3c(C#N)c(C(F)(F)F)cc(-c4ccccc4)c3c2n1 ZINC000028948223 FI Annotated Anodyne COc1ccccc1[C@@H]1CN=C(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000028948587 FI Annotated Anodyne COc1ccccc1[C@H]1CN=C(c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000028948589 FI Annotated Anodyne COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)C[C@H](C)CC4)cc1 ZINC000028948967 FI Annotated Anodyne COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)C[C@@H](C)CC4)cc1 ZINC000028948969 FI Annotated Anodyne C#CCSc1nc2sc(CC)c(C)c2c(=O)n1-c1ccc(OC)cc1 ZINC000028949093 FI Annotated Mild CSc1nc2sc3ccccc3c2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000028949293 FI Annotated Anodyne COC(=O)c1c(C)c(OC)cc(O)c1CNc1cc(Cl)cc(Cl)c1 ZINC000028950808 FI Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2c2ccco2)cc1 ZINC000028950857 FI Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2c2ccco2)cc1 ZINC000028950859 FI Annotated Clean C=CCNC(=O)[C@@H](CCCCC)N(C(=O)c1cccnc1)C1CCCCC1 ZINC000028952962 FI Annotated Mild C=CCNC(=O)[C@H](CCCCC)N(C(=O)c1cccnc1)C1CCCCC1 ZINC000028952964 FI Annotated Mild CCSC[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954269 FI Annotated Anodyne CCSC[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954271 FI Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(N(C)C)c2)n1CC1CC1 ZINC000028954326 FI Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1C ZINC000028954340 FI Annotated Anodyne CS/C(=N\C(=O)c1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000028954625 FI Annotated Mild COC(=O)c1cccc(Cl)c1NC(=O)c1ccccc1Br ZINC000028956433 FI Annotated Anodyne O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCCC1 ZINC000028956831 FI Annotated Anodyne CN(c1nc2ccccc2[nH]1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000028957169 FI Annotated Anodyne O=C(O)c1cc([N+](=O)[O-])c2ccc(/C=C/c3ccccc3Cl)nc2c1O ZINC000028957935 FI Annotated Bother CN(CCOc1ccc(-c2ccccc2)cc1-c1cccs1)CC(=O)O ZINC000028958313 FI Annotated Anodyne Clc1ccccc1-c1cc(NC2CC2)n2ncc(Br)c2n1 ZINC000028959068 FI Annotated Anodyne O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(Br)ccc21 ZINC000028964604 FI Annotated Anodyne O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(Br)ccc21 ZINC000028964609 FI Annotated Anodyne COc1ccc(-c2nc3ccccc3o2)cc1I ZINC000028964902 FI Annotated Anodyne CC1(C)CC(=O)c2cc(C#N)c(N3CC=C(c4ccccc4)CC3)nc2C1 ZINC000028967588 FI Annotated Mild C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C/[C@@H](OC(C)=O)C1)NC3=O)C2(C)C ZINC000028971343 FI Annotated Mild CC/C(=N\OC(C)C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977026 FI Annotated Mild C/C(=N\OC(C)(C)C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977032 FI Annotated Mild COc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 ZINC000028978487 FI Annotated Anodyne COc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 ZINC000028978490 FI Annotated Anodyne CN(C)c1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 ZINC000028978530 FI Annotated Anodyne CN(C)c1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 ZINC000028978534 FI Annotated Anodyne CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 ZINC000028979840 FI Annotated Bother O=C(N[C@H]1CCCN2c3ccccc3Oc3ccccc3[C@H]12)C(F)(F)F ZINC000029037444 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@@H](O)C[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 ZINC000029042361 FI Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)[C@H](O)C[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 ZINC000029042363 FI Annotated Anodyne CCOc1ccc(N/C=C(\C(=O)Nc2ccccc2)c2cc(C)no2)cc1 ZINC000029043693 FI Annotated Anodyne COc1ccc2c([S@@](=O)c3ccc([N+](=O)[O-])cc3)c3ccoc3nc2c1 ZINC000029044139 FI Annotated Bother COc1ccc2c([S@](=O)c3ccc([N+](=O)[O-])cc3)c3ccoc3nc2c1 ZINC000029044142 FI Annotated Bother O=[N+]([O-])c1ccc(Oc2c3cc4c(cc3nc3occc23)OCO4)cc1 ZINC000029044165 FI Annotated Bother Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C ZINC000029046476 FI Annotated Reactive CCOC(=O)/C(=C\Nc1ccc(OCC)cc1)C(=O)c1ccccc1Cl ZINC000029046737 FI Annotated Mild CCOc1ccc(Cc2nc3cc([S@@](=O)CC)c(Cl)cc3[nH]2)cc1 ZINC000029047133 FI Annotated Anodyne CCOc1ccc(Cc2nc3cc([S@](=O)CC)c(Cl)cc3[nH]2)cc1 ZINC000029047135 FI Annotated Anodyne O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000029049482 FI Annotated Bother O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000029049485 FI Annotated Bother O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000029049489 FI Annotated Bother O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000029049492 FI Annotated Bother CC/N=c1/cc2oc3cc(NCCCN)c4ccccc4c3nc-2cc1C ZINC000029057476 FI Annotated Bother Cc1cc(C)n(-c2nc(O)c3c(-c4ccccc4)c4c(nc3n2)CCCC4)n1 ZINC000029057534 FI Annotated Anodyne CC/N=c1/cc2oc3cc(NCCCO)c4ccccc4c3nc-2cc1C ZINC000029057628 FI Annotated Bother O=C(c1cccs1)c1cnn2c1nnc1ccc(Oc3ccccc3)cc12 ZINC000029059396 FI Annotated Anodyne CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1Cc1ccccc1 ZINC000029060990 FI Annotated Clean CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1c1ccccc1 ZINC000029060994 FI Annotated Clean COc1ccc2nc(C)cc(Nc3ccc(C4=NNC(=O)CC4)c(C)c3)c2c1 ZINC000029061890 FI Annotated Anodyne CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(C)[nH]c2ccccc12 ZINC000029062830 FI Annotated Anodyne CCN(CC)CCN1C(=O)c2c(c3sccc3c3ccsc23)C1=O ZINC000029124425 FI Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccccc3F)n2C)cc1 ZINC000029124875 FI Annotated Anodyne Cc1cn2cc(C(=O)N3CCCC[C@H]3C)cc2c(C#Cc2ccsc2)n1 ZINC000029124902 FI Annotated Mild Cc1cn2cc(C(=O)N3CCCC[C@@H]3C)cc2c(C#Cc2ccsc2)n1 ZINC000029124904 FI Annotated Mild Cc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)cc3F)n2C)cc1 ZINC000029125068 FI Annotated Anodyne Cn1cnc2cc(Br)c(-c3ccccc3Cl)c(CN)c21 ZINC000029125246 FI Annotated Anodyne CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(C#N)cc23)cc1 ZINC000029126150 FI Annotated Mild CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)C[C@H]3O ZINC000029127677 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C[C@@H]3O ZINC000029127680 FI Annotated Anodyne Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C)c12 ZINC000029128021 FI Annotated Anodyne CC(C)(C)c1ncc(Sc2ncn[nH]2)c(-c2cc(Cl)ccc2O)n1 ZINC000029128027 FI Annotated Anodyne Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12 ZINC000029128074 FI Annotated Anodyne Cc1ccc(O)c(-c2nc(C(C)(C)C)ncc2Sc2nccn2C)c1 ZINC000029128076 FI Annotated Anodyne CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12 ZINC000029128120 FI Annotated Anodyne COc1ccc(O)c(-c2nc(C(C)(C)C)ncc2Sc2nccn2C)c1 ZINC000029128124 FI Annotated Anodyne Cn1ccnc1Sc1cnc(-c2ccccc2)nc1-c1ccccc1O ZINC000029128167 FI Annotated Anodyne CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2cc(C)[nH]c12 ZINC000029128285 FI Annotated Anodyne O=C1C[C@@H]2c3ccccc3O[C@H]3c4cccc(O)c4-c4c(O)cc(O)c1c4[C@H]23 ZINC000029128768 FI Annotated Anodyne CSc1nc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc2s1 ZINC000029130894 FI Annotated Anodyne O=C(CCCc1ccc(Cl)cc1)N1CCCc2cc(O)c(O)cc2C1 ZINC000029132852 FI Annotated Clean C[C@@H]1CC(=O)c2c(c3c(c4c5c(c(=O)oc24)CCCC5)OC(C)(C)C=C3)O1 ZINC000029132881 FI Annotated Anodyne C[C@H]1CC(=O)c2c(c3c(c4c5c(c(=O)oc24)CCCC5)OC(C)(C)C=C3)O1 ZINC000029132882 FI Annotated Anodyne CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O ZINC000029132928 FI Annotated Anodyne CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O ZINC000029132930 FI Annotated Anodyne CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@H](C)CC3=O ZINC000029132931 FI Annotated Anodyne CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O ZINC000029132933 FI Annotated Anodyne CCCc1c(F)c(=O)oc2c3c(c4c(c12)OCC(C)=C4)O[C@H](C)CC3=O ZINC000029133018 FI Annotated Anodyne CCCc1c(F)c(=O)oc2c3c(c4c(c12)OCC(C)=C4)O[C@@H](C)CC3=O ZINC000029133020 FI Annotated Anodyne CCCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O ZINC000029133191 FI Annotated Anodyne CCCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O ZINC000029133192 FI Annotated Anodyne CCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O ZINC000029133196 FI Annotated Anodyne CCc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O ZINC000029133198 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C[C@H]3O ZINC000029133245 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)C[C@@H]3O ZINC000029133247 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O ZINC000029133354 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O ZINC000029133356 FI Annotated Anodyne C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133588 FI Annotated Anodyne C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133589 FI Annotated Anodyne C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133591 FI Annotated Anodyne C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)c(F)c(CC)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133592 FI Annotated Anodyne C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133637 FI Annotated Anodyne C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133639 FI Annotated Anodyne C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133641 FI Annotated Anodyne C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133643 FI Annotated Anodyne C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@@H](C)CO3 ZINC000029133740 FI Annotated Anodyne C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@H](C)CO3 ZINC000029133741 FI Annotated Anodyne C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@@H](C)CO3 ZINC000029133743 FI Annotated Anodyne C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC)c4c2O1)C(=O)[C@H](C)CO3 ZINC000029133744 FI Annotated Anodyne CCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133797 FI Annotated Anodyne CCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133799 FI Annotated Anodyne CCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133801 FI Annotated Anodyne CCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133803 FI Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC[C@@H](C)C3=O ZINC000029133860 FI Annotated Anodyne CC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 ZINC000029134655 FI Annotated Anodyne c1ccc2c(c1)O[C@@H](N1CCCCC1)c1cnc(N3CCCCC3)nc1-2 ZINC000029207064 FI Annotated Anodyne c1ccc2c(c1)O[C@H](N1CCCCC1)c1cnc(N3CCCCC3)nc1-2 ZINC000029207068 FI Annotated Anodyne O=c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO ZINC000029209096 FI Annotated Anodyne C=CCC1=C[C@]2(OCC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000029215566 FI Annotated Mild C=CCC1=C[C@@]2(OCC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000029215571 FI Annotated Mild O=C1NC(=O)[C@H](Sc2ccc3ccccc3c2Br)S1 ZINC000029216425 FI Annotated Anodyne O=C1NC(=O)[C@@H](Sc2ccc3ccccc3c2Br)S1 ZINC000029216430 FI Annotated Anodyne COc1ccc2cc(S[C@@H]3SC(=O)NC3=O)ccc2c1C(F)(F)F ZINC000029218473 FI Annotated Anodyne COc1ccc2cc(S[C@H]3SC(=O)NC3=O)ccc2c1C(F)(F)F ZINC000029218477 FI Annotated Anodyne Nc1c2c(nc3cc(Br)ccc13)N(Cc1ccccc1)CC2 ZINC000029219057 FI Annotated Anodyne CCC(=O)O[C@@H](C)OC(=O)[C@@H](C)c1ccc2c(c1)Oc1ccccc1CO2 ZINC000029221729 FI Annotated Anodyne CCC(=O)O[C@H](C)OC(=O)[C@@H](C)c1ccc2c(c1)Oc1ccccc1CO2 ZINC000029221734 FI Annotated Anodyne CCC(=O)O[C@@H](C)OC(=O)[C@H](C)c1ccc2c(c1)Oc1ccccc1CO2 ZINC000029221738 FI Annotated Anodyne CCC(=O)O[C@H](C)OC(=O)[C@H](C)c1ccc2c(c1)Oc1ccccc1CO2 ZINC000029221743 FI Annotated Anodyne CN(C)CCNc1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2 ZINC000029223883 FI Annotated Bother COP(=O)(OC)C(Cc1ccc(Cl)cc1)P(=O)(OC)OC ZINC000029225071 FI Annotated Anodyne CCn1c(-c2cccc(OC(C)=O)c2)c(C)c2ccc(OC(C)=O)cc21 ZINC000029226949 FI Annotated Anodyne CC[C@@]1(c2cccc(OC(C)=O)c2)O[C@@]1(CC)c1cccc(OC(C)=O)c1 ZINC000029227722 FI Annotated Anodyne CC[C@@]1(c2cccc(OC(C)=O)c2)O[C@]1(CC)c1cccc(OC(C)=O)c1 ZINC000029227727 FI Annotated Anodyne CC[C@]1(c2cccc(OC(C)=O)c2)O[C@]1(CC)c1cccc(OC(C)=O)c1 ZINC000029227735 FI Annotated Anodyne CCc1c(-c2ccc(OC(C)=O)cc2)n(C)c2cc(OC(C)=O)ccc12 ZINC000029228703 FI Annotated Anodyne CCn1c(-c2ccc(OC(C)=O)cc2)c(C)c2ccc(OC(C)=O)cc21 ZINC000029231603 FI Annotated Anodyne CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2 ZINC000029232328 FI Annotated Bother CCCN1N=C2/C(=C/c3ccccc3)C[S@](=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000029244812 FI Annotated Anodyne CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@H]2[C@@H]1c1cccnc1 ZINC000029245239 FI Annotated Anodyne CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@@H]2[C@@H]1c1cccnc1 ZINC000029245247 FI Annotated Anodyne CCCC(=O)Oc1c(OC)c(OC)c(OC(=O)CCC)c2ccccc12 ZINC000029252063 FI Annotated Anodyne COc1c(OC)c(OC(=O)C(C)C)c2c(C)cccc2c1OC(=O)C(C)C ZINC000029310453 FI Annotated Anodyne CCN(CC)CCn1nc2c3cccc(OC)c3sc3c(N)ccc1c32 ZINC000029311853 FI Annotated Bother CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2cc(C)c(C)cc12 ZINC000029311959 FI Annotated Anodyne CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2cc(Cl)ccc12 ZINC000029312685 FI Annotated Anodyne C=C(C(=O)c1ccc(-c2ccccc2)cc1)n1cnc2ccccc2c1=O ZINC000029315797 FI Annotated Mild COC(=O)c1cc(C)n(/C(=N\c2ccccc2)c2ccccc2Cl)n1 ZINC000029317491 FI Annotated Mild CCN(CC)CCn1nc2c3c(c(Cl)ccc31)[S@](=O)c1ccccc1-2 ZINC000029317874 FI Annotated Anodyne CCN(CC)CCn1nc2c3c(c(Cl)ccc31)[S@@](=O)c1ccccc1-2 ZINC000029317879 FI Annotated Anodyne CC(C)c1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1 ZINC000029318770 FI Annotated Anodyne CCN(CC)CCn1nc2c3ccc(OC)cc3sc3c(N)ccc1c32 ZINC000029321887 FI Annotated Bother CC1CCN(c2ccc(N)cc2C(=O)c2ccc(Br)cc2)CC1 ZINC000029322406 FI Annotated Anodyne CC(C)(C)NC[C@@H](O)c1cc2cccc(CC(=O)OC3CCCCC3)c2o1 ZINC000029324219 FI Annotated Anodyne CC(C)(C)NC[C@H](O)c1cc2cccc(CC(=O)OC3CCCCC3)c2o1 ZINC000029324223 FI Annotated Anodyne COC(=O)c1cc(C)n(/C(=N\c2ccc(Cl)cc2)c2ccccc2)n1 ZINC000029324253 FI Annotated Mild CCN(CC)CCn1nc2c3c(OC)cccc3sc3c(N)ccc1c32 ZINC000029326182 FI Annotated Bother CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(N)ccc1c32 ZINC000029326534 FI Annotated Bother Cc1[nH]c(C)c(C(=O)OC2CCN(C/C=C/c3ccccc3)CC2)c1C ZINC000029327436 FI Annotated Anodyne CCN(CC)CCn1nc2c3ccc(O)cc3sc3c(N)ccc1c32 ZINC000029327591 FI Annotated Bother Cc1cnc(NCCCN(C)C)c2c3ccc4c(O)cccc4c3n(C)c12 ZINC000029331493 FI Annotated Bother CCN(CC)CCn1nc2c3c(O)cccc3sc3c(N)ccc1c32 ZINC000029332040 FI Annotated Bother CCN(CC)CC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1C ZINC000029332234 FI Annotated Anodyne COc1ccc(Cn2cc(-c3ccc(OC)cc3)c3[nH]c(=O)ccc32)cc1 ZINC000029335460 FI Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000029335713 FI Annotated Clean C[C@@H](NC(=O)[C@@H](C#N)C1CC1)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 ZINC000029342236 FI Annotated Mild C[C@@H](NC(=O)[C@H](C#N)C1CC1)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 ZINC000029342239 FI Annotated Mild CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)(C)S2 ZINC000029342565 FI Annotated Anodyne [O-][N+]1=C(c2ccccc2F)c2cc(Cl)ccc2-c2nc(S)ncc2C1 ZINC000029343170 FI Annotated Anodyne CC(C)[C@@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 ZINC000029344695 FI Annotated Mild CC(C)[C@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 ZINC000029344698 FI Annotated Mild CC[C@]1(C(=O)N[C@@H](C)COc2cc(F)ccc2F)[C@@H](C)C1(Cl)Cl ZINC000029345161 FI Annotated Anodyne CC[C@]1(C(=O)N[C@@H](C)COc2cc(F)ccc2F)[C@H](C)C1(Cl)Cl ZINC000029345164 FI Annotated Anodyne Nc1c(Cc2cc(Cl)ccc2O)c2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000029346033 FI Annotated Anodyne COc1ccc(N(C)CC#CCCC2SCCCS2)cc1OC ZINC000029346551 FI Annotated Mild CCOC(=O)Cc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000029346886 FI Annotated Clean CC1(C)COC(Cn2ccnc2)(c2ccc3c(c2)Cc2ccccc2-3)OC1 ZINC000029348186 FI Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2cc(F)ccc2F)[C@@H](C)C1(Cl)Cl ZINC000029390084 FI Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2cc(F)ccc2F)[C@H](C)C1(Cl)Cl ZINC000029390087 FI Annotated Anodyne CN(C(=O)Cc1cccc2ccsc12)[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000029392281 FI Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2cccc(F)c2F)[C@@H](C)C1(Cl)Cl ZINC000029392396 FI Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2cccc(F)c2F)[C@H](C)C1(Cl)Cl ZINC000029392399 FI Annotated Anodyne C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1CCCNC(=O)c1cc(Cl)ccc1O ZINC000029392496 FI Annotated Anodyne C[C@H]1CC[C@@H]2CCCC[C@@H]2N1CCCNC(=O)c1cc(Cl)ccc1O ZINC000029392498 FI Annotated Anodyne CN(C(=O)Cc1ccc2sccc2c1)[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000029392539 FI Annotated Anodyne O[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21 ZINC000029392666 FI Annotated Anodyne O[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21 ZINC000029392669 FI Annotated Anodyne CCCN(CCC)CCCNc1ncc(C)c2c1c1cnccc1n2C ZINC000029393662 FI Annotated Anodyne COC1=C[C@]23C[C@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=S ZINC000029394177 FI Annotated Clean COC(=O)c1oc2c3cc(OC)ccc3n(-c3ccccc3)c2c1OC ZINC000029394341 FI Annotated Anodyne O=C1N(CCCCCCOc2ccc(F)cc2)CCN1c1cccnc1 ZINC000029394938 FI Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2[C@H](C(C)C)CC[C@@H]3CCCC[C@@H]32)c1 ZINC000029395324 FI Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2[C@H]3CCCC[C@H]3CC[C@@H]2C(C)C)c1 ZINC000029395327 FI Annotated Anodyne O=C(Cc1cccc2sccc12)N1C[C@@H]2CCCN2[C@@H]2CCCC[C@H]21 ZINC000029396684 FI Annotated Anodyne O=C(Cc1cccc2sccc12)N1C[C@H]2CCCN2[C@@H]2CCCC[C@H]21 ZINC000029396687 FI Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCCN2[C@H]3CCCC[C@H]3CC[C@H]2C)c1 ZINC000029396942 FI Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCCN2[C@@H](C)CC[C@@H]3CCCC[C@@H]32)c1 ZINC000029396945 FI Annotated Anodyne O=C(O)/C(=C\c1ccccc1)c1cc(C(=O)c2cccs2)ccc1O ZINC000029397925 FI Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000029398276 FI Annotated Reactive C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O ZINC000029398279 FI Annotated Reactive C=C1CCC[C@H]2[C@@](C)(C/C=C(/C=O)[C@H](C=O)OC(C)=O)[C@H](C)CC[C@@]12C ZINC000029398282 FI Annotated Reactive C=C1CCC[C@H]2[C@@](C)(C/C=C(/C=O)[C@H](C=O)OC(C)=O)[C@@H](C)CC[C@@]12C ZINC000029398285 FI Annotated Reactive CNC(=S)C1=CC(C)(C)Oc2ccc(C(F)(F)C(F)(F)F)cc21 ZINC000029398343 FI Annotated Anodyne O=C1N(CCCCCCOc2ccc(F)cc2)CCN1c1ccncc1 ZINC000029398751 FI Annotated Anodyne O=C1N(CCCCCOc2ccc(Cl)cc2)CCN1c1ccncc1 ZINC000029400889 FI Annotated Anodyne O=c1c2cc(Cl)c(Cl)cc2sn1CCN1CC2CCC(CC2)C1 ZINC000029400947 FI Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000029400998 FI Annotated Mild CSc1ccc(C2=C(c3ccc(O)cc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000029402214 FI Annotated Anodyne CSc1ccc(C2=C(c3ccc(O)cc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000029402217 FI Annotated Anodyne O=C(Nc1nc(-c2ccccc2)ns1)OCC(Cl)(Cl)Cl ZINC000029402845 FI Annotated Anodyne CS[C@@]12c3cc(C)sc3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000029402852 FI Annotated Anodyne CSc1ccc(C2=C(c3ccc(O)c(O)c3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000029404623 FI Annotated Clean CSc1ccc(C2=C(c3ccc(O)c(O)c3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000029404626 FI Annotated Clean C=CCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1 ZINC000029405285 FI Annotated Mild NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1 ZINC000029406325 FI Annotated Anodyne O=C(c1ccc(O)c([C@H](Cc2ccccc2)C(=O)O)c1)c1cccs1 ZINC000029408327 FI Annotated Anodyne O=C(c1ccc(O)c([C@@H](Cc2ccccc2)C(=O)O)c1)c1cccs1 ZINC000029408330 FI Annotated Anodyne O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@@H]1c1cccs1 ZINC000029409299 FI Annotated Anodyne O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@H]1c1cccs1 ZINC000029409302 FI Annotated Anodyne Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(NC(=O)CCl)cc3c12 ZINC000029409797 FI Annotated Reactive CCn1c(-c2ccc(NC(=S)NC3CCCCC3)cc2)n[nH]c1=S ZINC000029413411 FI Annotated Anodyne Cc1cc(-n2nc3c(cnc4ccccc43)c2O)c(Br)s1 ZINC000029463616 FI Annotated Anodyne N=c1sc(-c2cccnc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029466274 FI Annotated Anodyne O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cccc3ccoc23)CC1 ZINC000029466432 FI Annotated Anodyne N=C(Cc1ccc2ccccc2c1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000029467350 FI Annotated Anodyne Cc1cc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1 ZINC000029476566 FI Annotated Anodyne CCCN(CCc1ccccc1)CCc1ccc(O)c2nc(O)ccc12 ZINC000029477530 FI Annotated Anodyne O=C/C=C/c1cccc(OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000029479902 FI Annotated Reactive O=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F ZINC000029481930 FI Annotated Anodyne OCCOCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 ZINC000029486292 FI Annotated Anodyne C/C=C1/C[C@H]2C=Nc3cc(OCc4ccccc4)c(OC)cc3C(=O)N2C1 ZINC000029488513 FI Annotated Anodyne CC(C)(C)c1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000029489174 FI Annotated Anodyne CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)NC1CCCCC1 ZINC000029490045 FI Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)NC1CCCCC1 ZINC000029490048 FI Annotated Mild COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1CC(CC#N)=CN1C2=O ZINC000029544267 FI Annotated Mild CCOC(=O)CCC1=C(n2ccc3ccccc32)c2ccccc2C(=O)C1=O ZINC000029565523 FI Annotated Mild C[C@@H]1Cc2cc3c(cc2C(c2ccccc2)=NN1c1ccccn1)OCO3 ZINC000029565554 FI Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1ccccc1)OCO3 ZINC000029567827 FI Annotated Anodyne Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCN(C)C)n2)ccc1O ZINC000029569084 FI Annotated Anodyne CCCN1N=C2/C(=C/c3ccccc3)C[S@](=O)C[C@@H]2[C@H]1c1ccccc1 ZINC000299804502 FI Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl ZINC000299806651 FI Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl ZINC000299806652 FI Annotated Reactive O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@H](Cl)C[C@H]1Cl ZINC000299806653 FI Annotated Reactive CN(C)[C@@]12CCN[C@@H]([C@H](c3ccc(F)cc3)C1)[C@@H](c1ccc(F)cc1)C2 ZINC000299806792 FI Annotated Anodyne O=C1C[C@]2(N3CCCC3)C[C@@H](c3ccccc3)[C@H](N1)[C@@H](c1ccccc1)C2 ZINC000299807214 FI Annotated Anodyne CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299807943 FI Annotated Mild CCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299807945 FI Annotated Mild CCCOC[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 ZINC000299809921 FI Annotated Mild CCCOC[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 ZINC000299809922 FI Annotated Mild CC(=NN/C(S)=N/C(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000299810890 FI Annotated Mild COc1cccc(-c2ccc(O)c(CNC[C@H]3C[C@H]4C=C[C@H]3C43CC3)c2)n1 ZINC000299811266 FI Annotated Clean COc1cccc(-c2ccc(O)c(CNC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)c2)n1 ZINC000299811267 FI Annotated Clean COC(=O)[C@]1(/C=C2\c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000299811272 FI Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 ZINC000299811273 FI Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000299811274 FI Annotated Anodyne COC(=O)[C@@]1(/C=C2/c3ccccc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 ZINC000299811275 FI Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1ccncc1 ZINC000299811836 FI Annotated Clean CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299812873 FI Annotated Mild CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000299812923 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000299812924 FI Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)N=Nc1c(O)[nH]c2ccccc12 ZINC000299813107 FI Annotated Clean Cc1c(N=N/C(C#N)=C(\O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000299813113 FI Annotated Reactive CCS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)c(OC)c1 ZINC000299813209 FI Annotated Clean COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CO)c(C(C)(C)C)c1 ZINC000299813224 FI Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO)c(C(C)(C)C)c1 ZINC000299813225 FI Annotated Anodyne Cc1c(O)ccc2c1CCCC2=NNC(=O)Cc1cccc2ccccc12 ZINC000299814689 FI Annotated Reactive O=[N+]([O-])c1ccccc1C=NN=c1cc[nH]c2ccc(C(F)(F)F)cc12 ZINC000299817942 FI Annotated Mild O=[N+]([O-])c1cccc(C=NN=c2cc[nH]c3ccc(C(F)(F)F)cc23)c1 ZINC000299817953 FI Annotated Mild Cc1cc(=NN=Cc2ccccc2[N+](=O)[O-])c2cc(C(F)(F)F)ccc2[nH]1 ZINC000299817968 FI Annotated Mild C[C@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@H]1C1CCCC1)O[C@@H](C(=O)O)C3 ZINC000299818065 FI Annotated Anodyne C[C@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@@H]1C1CCCC1)O[C@@H](C(=O)O)C3 ZINC000299818066 FI Annotated Anodyne C[C@@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@H]1C1CCCC1)O[C@@H](C(=O)O)C3 ZINC000299818070 FI Annotated Anodyne C[C@@H]1c2c3c(c(Cl)c(Cl)c2C(=O)[C@@H]1C1CCCC1)O[C@@H](C(=O)O)C3 ZINC000299818071 FI Annotated Anodyne COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CC[C@@H](O)CC/C=C\2 ZINC000299819374 FI Annotated Anodyne COc1c2cc(c(OC)c1O)Oc1ccc(cc1)[C@@H](O)CC(=O)CC/C=C/2 ZINC000299819403 FI Annotated Anodyne O=C(/C=C/c1ccc(Br)cc1)c1c(O)ccc2c1SCO2 ZINC000299819690 FI Annotated Mild C#CCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(C)cccc12 ZINC000299819816 FI Annotated Mild COC(=O)c1ccc(-c2c(C)nc3cc(OC)c(Cl)cc3c2O)cc1 ZINC000299819943 FI Annotated Anodyne COc1c2c(cc3c1c(=O)c1cc4ccccc4nc1n3C)OC(C)(C)C=C2 ZINC000299819951 FI Annotated Bother O=C1C=CC2(C=C1)OC(=O)C(c1cc3ccccc3o1)=C2c1ccccc1 ZINC000299819974 FI Annotated Mild COc1ccccc1-c1cc2cc(Br)cc(OC)c2oc1=O ZINC000299820004 FI Annotated Anodyne COc1ccc(-c2cc3cc(CO)cc(C(C)(C)C)c3oc2=O)cc1OC ZINC000299820253 FI Annotated Anodyne COc1ccc2[nH]c3c(=O)[nH]nc(-c4ccc(C(F)(F)F)cc4)c3c2c1 ZINC000299821874 FI Annotated Anodyne CCCCCCC[C@H]1CC(=O)c2c(OCOC)cc(OCOC)cc2O1 ZINC000299821927 FI Annotated Mild CCCCCCC[C@@H]1CC(=O)c2c(OCOC)cc(OCOC)cc2O1 ZINC000299821928 FI Annotated Mild COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CC[C@@H](O)/C=C/C=C\2 ZINC000299822321 FI Annotated Anodyne COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCCC[C@@H](O)/C=C\2 ZINC000299822944 FI Annotated Anodyne C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 ZINC000299823015 FI Annotated Anodyne C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 ZINC000299823016 FI Annotated Anodyne C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 ZINC000299823018 FI Annotated Anodyne C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1 ZINC000299823020 FI Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(C2CCNCC2)c2ccccc12 ZINC000299823076 FI Annotated Anodyne CC(=O)n1c2cccc(Cl)c2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21 ZINC000299823396 FI Annotated Bother Cc1noc(C)c1-c1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)OC3)c1 ZINC000299823597 FI Annotated Anodyne Cc1noc(C)c1-c1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)OC3)c1 ZINC000299823599 FI Annotated Anodyne CCS(=O)(=O)c1cccc(-c2nc3cccnc3n2C2CCCCC2)c1 ZINC000299823758 FI Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCN(C)C)cc1 ZINC000299824127 FI Annotated Anodyne Cc1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 ZINC000299824395 FI Annotated Anodyne C#CCSc1nc(Nc2ccc(OC)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000299824820 FI Annotated Mild C#CCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(C)cc12 ZINC000299825022 FI Annotated Mild O=C(NCc1ccco1)c1cn2cc(-c3cccc4ncccc34)ccc2n1 ZINC000299825032 FI Annotated Anodyne COc1ccc2c(C(=O)/C(C#N)=C/c3c[nH]c4ccc(OC)cc34)c[nH]c2c1 ZINC000299825793 FI Annotated Reactive CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000299826224 FI Annotated Bother CC(C)Cc1ccc([C@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000299826227 FI Annotated Bother O=C(OCCO)c1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1 ZINC000299826486 FI Annotated Anodyne Clc1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1 ZINC000299826974 FI Annotated Anodyne Clc1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1 ZINC000299826982 FI Annotated Anodyne Clc1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1 ZINC000299826988 FI Annotated Anodyne Clc1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1 ZINC000299826996 FI Annotated Anodyne O=c1cc(CO)oc([C@@H](c2ccccc2)c2csc3ccccc23)c1O ZINC000299827585 FI Annotated Anodyne O=c1cc(CO)oc([C@H](c2ccccc2)c2csc3ccccc23)c1O ZINC000299827588 FI Annotated Anodyne Cc1cc2c3ccncc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 ZINC000299829126 FI Annotated Anodyne Nc1cc(Nc2nc(C(=O)O)nc3ccccc23)cc(Oc2ccccc2)c1 ZINC000299829147 FI Annotated Anodyne O=C1Nc2ccccc2/C1=C1\C(=O)N(c2ccc(F)cc2)c2ccccc21 ZINC000299829511 FI Annotated Anodyne C#CCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000299829531 FI Annotated Mild CCO[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\O ZINC000299829643 FI Annotated Mild CCO[C@@H](CC=C(C)C)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\O ZINC000299829645 FI Annotated Mild Cc1cc2c3cnccc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 ZINC000299829771 FI Annotated Anodyne COC(=O)C1(C(=O)OC)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12 ZINC000299830530 FI Annotated Anodyne COC(=O)Nc1nc2cc(Sc3c[nH]c4ccc(C#N)cc34)ccc2[nH]1 ZINC000299831349 FI Annotated Mild O=C1C[C@@H](CCc2ccccn2)Oc2c(Br)cc(Cl)cc21 ZINC000299831969 FI Annotated Anodyne O=C1C[C@H](CCc2ccccn2)Oc2c(Br)cc(Cl)cc21 ZINC000299831971 FI Annotated Anodyne Nc1nc(-c2cccs2)cn1/N=C/c1cc2ccccc2nc1Cl ZINC000299832250 FI Annotated Mild COc1cc(OCc2ccc(Cl)nc2)ccc1CNCc1ccncc1 ZINC000299832282 FI Annotated Anodyne O=C1Cc2ccccc2N1CC/C=C/CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000299832762 FI Annotated Anodyne CCCCCCCCCCn1cnc2c(Sc3ncn[nH]3)ncnc21 ZINC000299833115 FI Annotated Mild CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1 ZINC000299833134 FI Annotated Anodyne CN(C)c1nc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c12 ZINC000299833557 FI Annotated Anodyne Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1Br ZINC000299833881 FI Annotated Anodyne CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)O1 ZINC000299833882 FI Annotated Anodyne O=C(c1ccc(Cl)cc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O ZINC000299834040 FI Annotated Clean N#Cc1cccc(Nc2cc3cc(NC(=O)N4CCCC4)ccc3nc2O)c1 ZINC000299834629 FI Annotated Mild N#Cc1c(F)c(F)c2nc(-c3ccc(C(F)(F)F)cc3)nc(N)c2c1F ZINC000299834805 FI Annotated Mild O=C1CCCC2=C1[C@@H](n1nnc3ccccc31)c1cc(Cl)ccc1O2 ZINC000299835153 FI Annotated Mild O=C1CCCC2=C1[C@H](n1nnc3ccccc31)c1cc(Cl)ccc1O2 ZINC000299835155 FI Annotated Mild COc1ccc2cc([C@H](C)C(=O)OCCSCC3(C)COC3)ccc2c1 ZINC000299836373 FI Annotated Anodyne Cc1ccc(-c2csc3ncc(C(=O)NCCc4ccccc4)n23)cc1 ZINC000299837289 FI Annotated Anodyne COc1c(C)n(OC)c2c(c1=O)[C@@H](CCCCCc1ccccc1)CCC2 ZINC000299837419 FI Annotated Anodyne CSc1cccc(N(C)C(=N)Nc2cnccc2Br)c1 ZINC000299837451 FI Annotated Anodyne COc1cc(NCCCN)c2nccc(C)c2c1Oc1cccc(F)c1 ZINC000299837722 FI Annotated Anodyne Brc1cnc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 ZINC000299837898 FI Annotated Anodyne COC(=O)/C=C/c1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 ZINC000299838586 FI Annotated Clean COc1ccccc1[C@@]1(C)CCn2nc(COc3ccccc3)cc2C1=O ZINC000299838612 FI Annotated Anodyne COc1ccccc1[C@]1(C)CCn2nc(COc3ccccc3)cc2C1=O ZINC000299838619 FI Annotated Anodyne CC(C)(C)Cn1nc(C(=O)NC(C)(C)c2ccccc2)c2c1[C@@H]1C[C@@H]1C2 ZINC000299838926 FI Annotated Anodyne COc1cc(CNCc2ccncc2)ccc1OCc1cccc(F)c1 ZINC000299838947 FI Annotated Anodyne Fc1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 ZINC000299839382 FI Annotated Anodyne Fc1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 ZINC000299839383 FI Annotated Anodyne C[C@@]1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O ZINC000299839475 FI Annotated Anodyne C[C@]1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O ZINC000299839476 FI Annotated Anodyne COc1ccccc1CCn1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2 ZINC000299840343 FI Annotated Clean COc1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 ZINC000299840478 FI Annotated Anodyne COc1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 ZINC000299840479 FI Annotated Anodyne COc1cc(C(=O)NCC=C(C)C)nc2c(OCC=C(C)C)cccc12 ZINC000299840994 FI Annotated Anodyne O=C1C[C@@H](CCc2ccncc2)Oc2c(Br)cc(Cl)cc21 ZINC000299841029 FI Annotated Anodyne O=C1C[C@H](CCc2ccncc2)Oc2c(Br)cc(Cl)cc21 ZINC000299841030 FI Annotated Anodyne O=C1C[C@@H](CCc2cccnc2)Oc2c(Br)cc(Cl)cc21 ZINC000299841137 FI Annotated Anodyne O=C1C[C@H](CCc2cccnc2)Oc2c(Br)cc(Cl)cc21 ZINC000299841138 FI Annotated Anodyne c1cc[n+](Cc2ccc(Oc3ccc(C[n+]4ccccc4)cc3)cc2)cc1 ZINC000299844501 FI Annotated Anodyne COC(=O)c1cc2c3ccccc3[nH]c2c2cn(Cc3ccc(C)cc3)c[n+]12 ZINC000299844609 FI Annotated Bother COc1cccc2cc(-c3cc[n+](Cc4ccc([N+](=O)[O-])cc4)cc3)oc12 ZINC000299844762 FI Annotated Bother C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NO)cn2C ZINC000299844858 FI Annotated Mild C=C(c1ccc2c(c1)c(C=NO)cn2C)c1ccc(OC)c(OC)c1OC ZINC000299844930 FI Annotated Mild c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCN2CCCCC2)cc1 ZINC000299845642 FI Annotated Anodyne CCOC(=O)c1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000299847285 FI Annotated Clean C[C@H]1CC[C@@H]2CC(=O)O[C@H]([C@@H]3C(=O)O[C@@H](C4=CCCC4)[C@H]4[C@@H](C)CC[C@H]43)[C@@H]12 ZINC000299848937 FI Annotated Anodyne CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 ZINC000299849132 FI Annotated Anodyne CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000299849134 FI Annotated Anodyne O=C1Nc2ccccc2C[C@@]12CCCN2Cc1ccc(C(F)(F)F)cc1 ZINC000299850257 FI Annotated Anodyne O=C1Nc2ccccc2C[C@]12CCCN2Cc1ccc(C(F)(F)F)cc1 ZINC000299850258 FI Annotated Anodyne Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@H]2CCCCN2C(C)C)n1 ZINC000299851037 FI Annotated Anodyne Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@@H]2CCCCN2C(C)C)n1 ZINC000299851038 FI Annotated Anodyne CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000299854124 FI Annotated Anodyne CC(C)N1Cc2cc(-c3cc(-c4ccc(Cl)nc4)no3)ccc2C1=O ZINC000299854783 FI Annotated Anodyne CCCc1cc(=O)oc2c1c1c(c3oc(C(=O)O)cc32)C=CC(C)(C)O1 ZINC000299855009 FI Annotated Anodyne COc1ccc(OC)c(-c2nnc(NCc3ccc(Cl)cc3)s2)c1 ZINC000299856008 FI Annotated Anodyne COc1ccc2c(c1)OC/C(=C\c1cc(Cl)c(OC)c(OC)c1)C2=O ZINC000299856119 FI Annotated Mild COc1ccc(-c2nc3sc(C)nn3c2-c2nc3ccccc3[nH]2)cc1 ZINC000299856221 FI Annotated Anodyne O=C(N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)n1cncn1 ZINC000299856784 FI Annotated Anodyne O=[N+]([O-])c1cccc2c(Oc3cccc(Br)c3)cc(O)nc12 ZINC000299856811 FI Annotated Bother COc1ccc(-c2noc(-c3ccc4c(c3)CN(C(C)C)C4=O)c2C)cn1 ZINC000299857311 FI Annotated Anodyne CCN(CC)C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC)cc1 ZINC000299858074 FI Annotated Mild COc1ccc(-c2c(Br)c3cc(C#N)c(C#N)cc3n2O)cc1 ZINC000299859584 FI Annotated Mild O=c1c2c(oc3ccc(Br)cc13)-c1ccccc1OCCCO2 ZINC000299859902 FI Annotated Anodyne COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc1OC ZINC000299860331 FI Annotated Clean COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc1OC ZINC000299860333 FI Annotated Clean Cc1c(Cc2ccccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cn1 ZINC000299861046 FI Annotated Anodyne CC(C)(C)c1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1 ZINC000299861057 FI Annotated Anodyne C=C[C@@]1(O)C[C@@]2(CC)c3ccc(O)cc3CC[C@@H]2C[C@@]1(O)c1ccccc1 ZINC000299861120 FI Annotated Mild O=C(c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1)N1CCNCC1 ZINC000299861914 FI Annotated Anodyne CSc1ncc(CN2CCC(N(C)Cc3ccc(F)cc3)CC2)s1 ZINC000299862156 FI Annotated Clean O=C(N/N=C/c1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1 ZINC000299862218 FI Annotated Reactive CCN(CC)c1nccc(NCc2sc(-c3ccccc3)nc2C)n1 ZINC000299862261 FI Annotated Anodyne O=[N+]([O-])c1cccc2c(Oc3ccc(Br)cc3)cc(O)nc12 ZINC000299862676 FI Annotated Bother CCN(CC)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21 ZINC000299862773 FI Annotated Bother CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C(=O)O)ccc3[nH]2)cc1 ZINC000299863360 FI Annotated Reactive COc1ccc(OC)c(-c2nnc(-n3ccc4cc(OC)ccc43)s2)c1 ZINC000299863369 FI Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4cn[nH]n4)n3)cc2)cc1 ZINC000299863696 FI Annotated Anodyne CCCCCCC(C)(C)C1=CC2=C(C(=O)C1=O)c1nn(C)cc1C(C)(C)O2 ZINC000299863926 FI Annotated Mild Oc1ccc(Br)cc1CNCC12CC3CC(CC(C3)C1)C2 ZINC000299864390 FI Annotated Clean CCCCCCC(C)(C)C1=CC2=C(C(=O)C1=O)c1[nH]ncc1C(C)(C)O2 ZINC000299864933 FI Annotated Mild CSc1ncc(CN2CCC(N(C)Cc3cccc(F)c3)CC2)s1 ZINC000299865542 FI Annotated Clean CSc1ncc(CN2CCC(N(C)Cc3ccc(C)cc3)CC2)s1 ZINC000299866060 FI Annotated Clean Oc1nc2c(n3ccnc13)Cc1c-2cccc1-c1cccc2ncccc12 ZINC000299866331 FI Annotated Anodyne CCOC(=O)c1sc2ccc(N)cc2c1NC(=O)c1ccc(C)cc1 ZINC000299866622 FI Annotated Anodyne Cc1ccc(-c2c(Br)c3cc(C#N)c(C#N)cc3n2O)cc1 ZINC000299866778 FI Annotated Mild O=[N+]([O-])c1cccc2c(Oc3ccccc3Br)cc(O)nc12 ZINC000299867896 FI Annotated Bother CN1C(=O)N(CCCl)N=Nc2c(C(F)(F)F)nn(-c3ccccc3)c21 ZINC000299868246 FI Annotated Reactive COc1ccc2[nH]c(C(=O)OC(C)C)c(/C=C/C(=O)c3ccncc3)c2c1 ZINC000299868436 FI Annotated Mild CCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1 ZINC000299868882 FI Annotated Anodyne CCN(CC)c1ccc(CCNC(=O)c2[nH]c3ccc(F)cc3c2C)cc1 ZINC000299869507 FI Annotated Anodyne CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccccc12 ZINC000299869946 FI Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4nc[nH]n4)n3)cc2)cc1 ZINC000299870688 FI Annotated Anodyne Nc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cnc1O ZINC000299871017 FI Annotated Anodyne Brc1cccnc1Nc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000299871042 FI Annotated Anodyne CCSc1nc(N)c2c(-c3cccn3C)c3c(nc2n1)[C@H](C)CCC3 ZINC000299871081 FI Annotated Anodyne CCSc1nc(N)c2c(-c3cccn3C)c3c(nc2n1)[C@@H](C)CCC3 ZINC000299871082 FI Annotated Anodyne CCOc1nn(-c2ccc(Cl)cc2)c(O)c1C=Nc1ccc(O)cc1 ZINC000299872440 FI Annotated Mild CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000299872473 FI Annotated Anodyne CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299872474 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299873729 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299873730 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299873731 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc(F)cc2)n1 ZINC000299873876 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc(F)cc2)n1 ZINC000299873877 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccco2)n1 ZINC000299876709 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccco2)n1 ZINC000299876710 FI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccc(C)o2)C[C@@H]1C ZINC000299876802 FI Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C)o2)C[C@@H]1C ZINC000299876803 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 ZINC000299880768 FI Annotated Anodyne Oc1nc2ccc(N3CCC[C@@H]4CCCC[C@H]43)nc2nc1Cc1ccccc1 ZINC000299882042 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000299882605 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299883790 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299883791 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299883792 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2F)n1 ZINC000299887596 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2F)n1 ZINC000299887597 FI Annotated Anodyne CCn1cc(/C(O)=N/c2cc(Cl)ccc2OC)c(=O)c2ccc(C)nc21 ZINC000003017562 FI Annotated Anodyne CCOC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)CS2 ZINC000003028802 FI Annotated Anodyne CC[C@@H](C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C ZINC000003030961 FI Annotated Anodyne CC[C@H](C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C ZINC000003030964 FI Annotated Anodyne Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1 ZINC000003038474 FI Annotated Anodyne Cc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1 ZINC000003038476 FI Annotated Anodyne C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCCC3)cc21 ZINC000003040735 FI Annotated Mild CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000003061142 FI Annotated Anodyne CC[C@H](C)NC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000003061172 FI Annotated Anodyne CC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)c1ccc(F)c(F)c1 ZINC000003140145 FI Annotated Anodyne CC[C@H](Cc1cc(OC)c(C)cc1OC)NC(=O)c1ccc(F)c(F)c1 ZINC000003140146 FI Annotated Anodyne CC(C)(C)NC(=O)CO/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003169265 FI Annotated Mild CCCCCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000003187274 FI Annotated Mild CN(C)c1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1 ZINC000003197414 FI Annotated Mild S=C(NCCc1ccccc1)N/N=C/c1c(Cl)cccc1Cl ZINC000003281556 FI Annotated Mild CN(/C=C/C(=O)C(F)(F)F)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000003310377 FI Annotated Mild c1cc(Nc2ncnc3sccc23)cc(-c2nnc3n2CCCCC3)c1 ZINC000003399571 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(F)c(F)cc4[nH]3)n2C)cc1 ZINC000030789151 FI Annotated Anodyne C[C@@]12O[C@]13CC[C@@H]1[C@H]4CC[C@](C)(O)[C@]4(C)CC[C@H]1[C@@]3(C)CC(C#N)=C2O ZINC000306146188 FI Annotated Reactive C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@]45O[C@]4(C)C(O)=C(C#N)C[C@]5(C)[C@@H]3CC[C@@]21C ZINC000306146189 FI Annotated Reactive C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@]45O[C@@]4(C)C(O)=C(C#N)C[C@]5(C)[C@@H]3CC[C@@]21C ZINC000306146190 FI Annotated Reactive C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@]45O[C@]4(C)C(O)=C(C#N)C[C@]5(C)[C@@H]3CC[C@]21C ZINC000306146191 FI Annotated Reactive COc1ccc(Cc2nc3cc(Br)c(C)cc3[nH]2)cc1OC ZINC000308432809 FI Annotated Anodyne C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccccc4c3cc12 ZINC000031164952 FI Annotated Anodyne in-vitro COC/C(=C/C(=O)OC)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000031166090 FI Annotated Mild C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)c(O)c1O ZINC000031167205 FI Annotated Mild C#CCCCCCCCCCCC[C@H](C[C@@H](O)COC(C)=O)OC(C)=O ZINC000031169964 FI Annotated Mild COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 ZINC000031418287 FI Annotated Anodyne COc1ccc2c(c1)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12 ZINC000031418295 FI Annotated Anodyne Fc1cc(Br)cc(-c2nc3c(Br)cncc3[nH]2)c1 ZINC000311080750 FI Annotated Anodyne Clc1cc(Br)c2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000313722217 FI Annotated Anodyne Fc1cc(Br)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000314112752 FI Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc12 ZINC000314256526 FI Annotated Anodyne CC[C@@H](C(=O)OCCN1CCO[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1 ZINC000031623377 FI Annotated Anodyne in-man CCN1CC[C@@](O)(/C=C/c2ccccc2)[C@@H](C(=O)/C=C/c2ccccc2)C1 ZINC000031794934 FI Annotated Mild CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)C(=O)[C@@H](C#N)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000031821042 FI Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)C(=O)[C@H](C#N)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000031821053 FI Annotated Anodyne Cc1ccc2c([C@@H]3Cc4ccccc4N3C(=O)/C=C\C(=O)O)c(C)[nH]c2c1 ZINC000031829934 FI Annotated Anodyne O=C1CSC(/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 ZINC000031851309 FI Annotated Anodyne CC1(C)N(O[C@H]2CCCCO2)[C@@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] ZINC000031872057 FI Annotated Anodyne C=C(C)[C@H]1CC/C(C)=C\CC[C@]2(C)O[C@H]2CC/C(COC(C)=O)=C/[C@@H]1O ZINC000031872065 FI Annotated Mild C=C(C)[C@H]1CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(COC(C)=O)=C/[C@@H]1O ZINC000031872067 FI Annotated Mild CO[P@](C)(=O)OC[C@]1(C)[C@H](C=C(C)C)[C@H]1CO[P@](C)(=O)OC ZINC000031900637 FI Annotated Anodyne CO[P@](C)(=O)OC[C@@H]1[C@@H](C=C(C)C)[C@@]1(C)CO[P@@](C)(=O)OC ZINC000031900641 FI Annotated Anodyne CO[P@](C)(=O)OC[C@@]1(C)[C@@H](CO[P@](C)(=O)OC)[C@H]1C=C(C)C ZINC000031900645 FI Annotated Anodyne CO[P@](C)(=O)OC[C@H]1[C@@H](C=C(C)C)[C@@]1(C)CO[P@@](C)(=O)OC ZINC000031900649 FI Annotated Anodyne S=C1SCN(Cc2ccco2)CN1c1ccc(Br)cc1 ZINC000031905327 FI Annotated Anodyne COc1ccc(Cc2nc3cc(Br)c(F)cc3[nH]2)cc1OC ZINC000316518438 FI Annotated Anodyne COc1ccc(Cc2nc3c(C)cc(Br)cc3[nH]2)cc1OC ZINC000317302186 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1 ZINC000319413645 FI Annotated Anodyne O=C(O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O ZINC000032016347 FI Annotated Anodyne COc1c(C)c2c(c(C)c1Cl)C(=O)Oc1cc(C)c(C=O)c(O)c1O2 ZINC000032147202 FI Annotated Anodyne CC(C)(C[C@@H](Br)CC(Cl)(Cl)Cl)C1OCCO1 ZINC000032219549 FI Annotated Unstable in-vitro CC(C)(C[C@H](Br)CC(Cl)(Cl)Cl)C1OCCO1 ZINC000032219550 FI Annotated Unstable in-vitro CCNCc1c(C)[nH]c2ccc(OC)cc2c1=Nc1cccc(Cl)c1 ZINC000032270093 FI Annotated Anodyne CC1(C)C=Cc2c(ccc3c2OC[C@H](c2cc4c(cc2O)OCO4)C3)O1 ZINC000032287352 FI Annotated Anodyne CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2cc4c(cc2O)OCO4)C3)O1 ZINC000032287354 FI Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CC(=C(C)C)OC1=O ZINC000032296691 FI Annotated Mild in-vitro biogenic CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@@](C)([C@H](O)CCl)CC[C@H]12 ZINC000032297051 FI Annotated Reactive O=C(N/N=C\c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12 ZINC000033291350 FI Annotated Reactive O=C(N/N=C\c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12 ZINC000033291413 FI Annotated Reactive Cc1ccc(NCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1 ZINC000033339113 FI Annotated Reactive O=C1CS/C(=N/N=C\c2cccc3ccccc23)N1Cc1ccccc1 ZINC000033350765 FI Annotated Mild Cc1[nH]c(=O)c(C(=O)/C=C\c2ccc(Br)cc2)c2c1CCCC2 ZINC000033394538 FI Annotated Mild S=C(NCCc1ccccc1)N/N=C\c1cccc(Cl)c1Cl ZINC000033408155 FI Annotated Mild O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)NCCC1=CCCCC1 ZINC000033710934 FI Annotated Anodyne CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@H]1CCC(=O)O1 ZINC000033820511 FI Annotated Mild N#CC1=C(N)S[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000033821650 FI Annotated Reactive N#CC1=C(N)S[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000033821651 FI Annotated Reactive C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000033830020 FI Annotated Mild COc1c(O)ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c1O ZINC000033832509 FI Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(C(=O)CO)C=C3CC[C@H]12 ZINC000033833601 FI Annotated Anodyne in-vitro biogenic Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1 ZINC000033848669 FI Annotated Clean C/C1=C\CC(C)(C)/C=C/C[C@@]2(C)OC3=C(O)C(=O)[C@H]4CO[C@H]([C@@H]34)[C@@H]2CC1 ZINC000033998767 FI Annotated Mild investigational Cc1ccc([C@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@@H]23)cc1 ZINC000034008181 FI Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 ZINC000034030026 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O ZINC000034034212 FI Annotated Anodyne O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 ZINC000034044339 FI Annotated Anodyne COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)O2)ccc1O ZINC000034055472 FI Annotated Anodyne in-man COc1cc([C@@H]2OC[C@H](CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)O2)ccc1O ZINC000034055475 FI Annotated Anodyne in-man endogenous C=CC/C=C\C/C=C\CCCCCCCC(=O)[C@@]1(O)OC(=O)C=C1OC ZINC000034073471 FI Annotated Mild CCOC(=O)[C@@H](CC/C(=C/CCc1ccc2c(c1)OCO2)CC)C(C)=O ZINC000034075005 FI Annotated Anodyne CCOC(=O)[C@H](CC/C(=C/CCc1ccc2c(c1)OCO2)CC)C(C)=O ZINC000034075007 FI Annotated Anodyne CC(=O)O[C@]1(C)/C=C/C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@@H](O)C1 ZINC000034081031 FI Annotated Anodyne in-vitro biogenic COc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1CO ZINC000034095193 FI Annotated Anodyne COC1=CC(=O)c2cc(-c3ccccc3)c3cc(O)c(OC)cc3c2C1=O ZINC000034095443 FI Annotated Mild in-vitro biogenic c1cc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)[nH]n1 ZINC000034095481 FI Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@]12C=C1C=C(O)C(=O)C(C=O)=C1O2 ZINC000034136274 FI Annotated Reactive COC(=O)Cc1nc(NC2CCCCC2)c2c3c(sc2n1)CCCC3 ZINC000034138824 FI Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]1(C)CC(=O)c1ccoc1 ZINC000034172457 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C(=O)O)[C@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@H]12 ZINC000034172522 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C(=O)O)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]12 ZINC000034172524 FI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]12 ZINC000034172526 FI Annotated Anodyne O=C1c2cccnc2-c2ccnc3c2c1nc1cc(Br)ccc13 ZINC000034173461 FI Annotated Bother COc1ccc([C@@H]2[C@@H](C)C(=O)[C@H](C)[C@H](c3ccc(OC)cc3)N2N=O)cc1 ZINC000034175871 FI Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@H]2C)OCO4)cc1OC ZINC000034212547 FI Annotated Anodyne CCCCn1c(=O)c2cc(C(=O)O)cn2c2cc(Cl)c(Cl)cc21 ZINC000034216351 FI Annotated Anodyne CCc1nn(CCO)c(C(F)(F)F)c1Cc1cc(Cl)cc(Cl)c1 ZINC000034228226 FI Annotated Anodyne C/C=C/C/C=C/C=C/C=C/CCCOC(=O)C[C@@H](C)OC(=O)C[C@@H](C)O ZINC000034259584 FI Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000034281875 FI Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000034281876 FI Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000034281877 FI Annotated Anodyne CCC/C=C/C=C/C=C/CCCOC[C@H](CO)OC(=O)c1ccc(O)cc1 ZINC000034285701 FI Annotated Anodyne CCC/C=C/C=C/C=C/CCCOC[C@H](O)COC(=O)c1ccc(O)cc1 ZINC000034285702 FI Annotated Anodyne COc1cccc(-n2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)C)c1 ZINC000034322608 FI Annotated Anodyne Cc1c(Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)nn1CCO ZINC000034335639 FI Annotated Anodyne C=C[C@@](C)(O)CC[C@@]1(C)C2=C([C@H](O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2 ZINC000034409745 FI Annotated Mild C=C[C@](C)(O)CC[C@@]1(C)C2=C([C@H](O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2 ZINC000034409746 FI Annotated Mild in-vitro biogenic C[C@@H]1Oc2cc(Cl)ccc2/C(=N/OCc2ccccc2)[C@H]1n1ccnc1 ZINC000034435562 FI Annotated Mild CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 ZINC000034443984 FI Annotated Anodyne CC(CO)(CO)NCc1cc2ccc3ccsc3c2c2ccccc12 ZINC000034462387 FI Annotated Bother CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2CC/C(C)=C\[C@H]2[C@@H]1[C@](C)(O)CC[C@@H]2C(C)C ZINC000034474297 FI Annotated Anodyne C/C=C/c1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)O2 ZINC000034506419 FI Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)O)O1 ZINC000034513495 FI Annotated Mild COc1ccc(N(C)c2nc(Cl)nc3cc(OC)c(OC)cc23)cc1 ZINC000034554151 FI Annotated Anodyne Cc1nn(-c2cccc([N+](=O)[O-])c2)c2nc(C(F)(F)F)sc(=S)c12 ZINC000034587251 FI Annotated Bother Cc1sccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1 ZINC000034602504 FI Annotated Anodyne Clc1ccc2c(c1)OC[C@H](n1ccnc1)/C2=N\OCc1ccccc1 ZINC000034609210 FI Annotated Mild Clc1ccc2c(c1)OC[C@@H](n1ccnc1)/C2=N\OCc1ccccc1 ZINC000034609211 FI Annotated Mild CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](OC(C)=O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000034610154 FI Annotated Anodyne CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000034617561 FI Annotated Anodyne O=C1CC[C@@]2(c3ccccc3)Cc3cc(O)ccc3C2=C1Br ZINC000034633762 FI Annotated Mild O=C1CC[C@]2(c3ccccc3)Cc3cc(O)ccc3C2=C1Br ZINC000034633763 FI Annotated Mild CN(C)CCc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1 ZINC000034641019 FI Annotated Anodyne COC(=O)CCCC#CC#C/C=C\CCCCC#C/C=C/Br ZINC000034648004 FI Annotated Mild CN(C)c1ccc(-c2nc3ccc(I)cc3o2)cc1 ZINC000034648173 FI Annotated Clean Clc1ccc(CO/N=C2/c3ccccc3OC[C@H]2n2ccnc2)cc1 ZINC000034655194 FI Annotated Mild Clc1ccc(CO/N=C2/c3ccccc3OC[C@@H]2n2ccnc2)cc1 ZINC000034655196 FI Annotated Mild C=C[C@@]1(C)CC[C@H](/C(=C/C[C@@H](O)C(C)(C)O)COC(C)=O)C[C@@H]1C(=C)C ZINC000034729480 FI Annotated Mild CCCC(=O)N[C@@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21 ZINC000034741341 FI Annotated Anodyne CCCC(=O)N[C@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21 ZINC000034741342 FI Annotated Anodyne CC(=O)OC[C@@]1(O)CC[C@@H](/C(C)=C\CC=C(C)C)[C@H]1[C@H]1C(=O)C=C[C@H]1C ZINC000034741817 FI Annotated Mild CC(=O)OC[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC[C@H]1C(=O)OC[C@H]12 ZINC000034746133 FI Annotated Anodyne C/C=C(\C)[C@H](O)[C@H](C)/C=C/C=C(\C)CC/C=C/C1=C(C)C(=O)[C@@](C)(O)O1 ZINC000034773215 FI Annotated Mild in-vitro C/C=C(\C)[C@H](O)[C@H](C)/C=C/C=C(\C)CC/C=C/C1=C(C)C(=O)[C@](C)(O)O1 ZINC000034773219 FI Annotated Mild in-vitro N#CC(=C(/N)Sc1cccs1)/C(C#N)=C(\N)Sc1cccs1 ZINC000034802602 FI Annotated Reactive O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccc2ccccc2c1 ZINC000034804173 FI Annotated Anodyne c1ccc(Nc2ncc(-c3ccnc(OC4CCCCC4)n3)s2)nc1 ZINC000034804861 FI Annotated Anodyne Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1 ZINC000034819350 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1 ZINC000034819361 FI Annotated Anodyne COc1ccc(Sc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000034820516 FI Annotated Anodyne CCOC(=O)[C@@]12C[C@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O ZINC000034821487 FI Annotated Anodyne CCOC(=O)[C@]12C[C@@]1(CCc1ccccc1)c1cc(Cl)ccc1NC2=O ZINC000034821489 FI Annotated Anodyne CCCC[C@@]12C[C@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821596 FI Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)Nc1ccccn1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821598 FI Annotated Anodyne CCCC[C@@]12C[C@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821600 FI Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)Nc1ccncc1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821602 FI Annotated Anodyne CNc1nc(N)nc2nc(-c3c(SC)cccc3C(F)(F)F)ccc12 ZINC000034843520 FI Annotated Anodyne CCCc1cc2c(NC)nc(N)nc2nc1-c1ccccc1C(F)(F)F ZINC000034844256 FI Annotated Anodyne COc1ccc2c(c1O)CCCC(c1cc(OC)c(OC)c(OC)c1)=C2 ZINC000034851534 FI Annotated Anodyne COc1ccc2c(c1O)CCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000034851536 FI Annotated Anodyne C/C(O)=N\c1cc(C(=O)N2CCOCC2)ccc1Sc1ccc(C)cc1 ZINC000034858108 FI Annotated Mild Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(-c3nnn[nH]3)cc2)cc1 ZINC000034867401 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 ZINC000034867422 FI Annotated Anodyne NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(C(F)(F)F)c1 ZINC000034985047 FI Annotated Anodyne NC(=O)Nc1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Cl)c1 ZINC000034985181 FI Annotated Anodyne CC(C)n1c(=O)n([C@H](CCN(C)C)c2ccccc2)c2c(F)cccc21 ZINC000034986561 FI Annotated Anodyne CNCC[C@H](c1cc(F)cc(F)c1)N1C(=O)C(C)(C)c2cccc(F)c21 ZINC000034986565 FI Annotated Anodyne CNCC[C@H](c1cccc(Cl)c1)N1C(=O)C(C)(C)c2cccc(F)c21 ZINC000034986674 FI Annotated Anodyne CCCCn1nnc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)n1 ZINC000003590231 FI Annotated Anodyne CCn1nnc(-c2cc(C)c(OCCCCCc3cc(C)no3)c(C)c2)n1 ZINC000003590239 FI Annotated Anodyne Oc1cn(-c2ccc(Cl)cc2)nc1-c1nnc(Nc2ccccc2)o1 ZINC000003595317 FI Annotated Anodyne Cc1ccc(SCc2oc3ccc(O)c(CN(C)C)c3c2C(=O)O)cc1 ZINC000003622794 FI Annotated Clean CCc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12 ZINC000003633466 FI Annotated Anodyne CCC/N=C(\O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)CS2 ZINC000003638452 FI Annotated Mild Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC(C)C)cc32)c1 ZINC000003638728 FI Annotated Anodyne CCOC(=O)[C@@H](C)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000003639524 FI Annotated Anodyne CCOC(=O)[C@H](C)N1C(=O)CS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000003639525 FI Annotated Anodyne CCOC(=O)[C@@H](C)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000003639526 FI Annotated Anodyne CCOC(=O)[C@H](C)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000003639528 FI Annotated Anodyne Cc1ccc2c(c1)N(C)/C(=C/c1sc3ccccc3[n+]1CCO)S2 ZINC000003639866 FI Annotated Clean COc1ccc2sc3c(c2c1)N(Cc1ccc(Cl)cc1)CCNC3=O ZINC000003647063 FI Annotated Anodyne O=C(c1ccco1)N(C(=S)OCCc1ccccc1)c1ccccc1 ZINC000003648435 FI Annotated Anodyne C[C@H]1CC(C)(C)NC(=S)N1CC/C(O)=N/c1nc2ccccc2s1 ZINC000003654833 FI Annotated Mild C[C@@H]1CC(C)(C)NC(=S)N1CC/C(O)=N/c1nc2ccccc2s1 ZINC000003654834 FI Annotated Mild Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCCC1)CC(=O)N2 ZINC000003660391 FI Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCCC1)CC(=O)N2 ZINC000003660392 FI Annotated Anodyne CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000003660395 FI Annotated Anodyne CC(C)CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000003660396 FI Annotated Anodyne Cc1ccc(Cl)cc1NC(=S)N(CCN(C)C)Cc1cccs1 ZINC000003662302 FI Annotated Anodyne O=C1N(c2ccccc2)c2ccccc2[C@]1(CCCCO)Cc1ccncc1 ZINC000003794268 FI Annotated Anodyne COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncoc2c1 ZINC000003794816 FI Annotated Anodyne O=[S@](Cc1cc(Oc2ccc(F)cc2)ccn1)c1nc2cscc2[nH]1 ZINC000003796089 FI Annotated Anodyne CC(C)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000003796212 FI Annotated Anodyne CCCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000003797202 FI Annotated Anodyne CC(C)(C)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000003797204 FI Annotated Anodyne Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@@H](c2ccc(F)cc2)O1 ZINC000003801624 FI Annotated Anodyne O=c1c2ccccc2c(-c2cccnc2)nn1CCSc1ccccc1 ZINC000003804643 FI Annotated Anodyne Cc1cc(O)c2c(c1C=O)O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C ZINC000003809582 FI Annotated Anodyne NS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CC3(CC3)C2)cc1 ZINC000003814741 FI Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C23CCCC3)cc1 ZINC000003814808 FI Annotated Mild CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2o1 ZINC000003817069 FI Annotated Anodyne Cc1coc2c(OCCCN(C)C)c3oc(=O)c4ccccc4c3cc12 ZINC000003817192 FI Annotated Bother Cc1coc2c(OCCCN(C)C)c3oc(=O)c4c(c3cc12)CCCC4 ZINC000003817193 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000003871830 FI Annotated Anodyne in-vitro CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000003895855 FI Annotated Anodyne CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000003895856 FI Annotated Anodyne CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000003895858 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)/C(=N\c2ccccc2)c2ccccc2)cc1 ZINC000003898433 FI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000003905778 FI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000003905779 FI Annotated Mild O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1 ZINC000003906684 FI Annotated Anodyne Cc1ccc(/N=C(\O)c2cn(C)c(=O)c3c2c2ccccc2n3C)cc1F ZINC000003907596 FI Annotated Mild FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1 ZINC000003926703 FI Annotated Anodyne CCc1ccc(CC[C@@H]2CCC(C)(C)/C(=N/O)[C@H]2Cn2cncn2)cc1 ZINC000003929086 FI Annotated Mild CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CC1 ZINC000003948882 FI Annotated Anodyne CC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CC1 ZINC000003948883 FI Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000003955306 FI Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000003955307 FI Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000003955308 FI Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000003959914 FI Annotated Mild CCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1 ZINC000003960741 FI Annotated Anodyne CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccnc1 ZINC000003960746 FI Annotated Anodyne Fc1cc(F)c(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)cc1F ZINC000003963024 FI Annotated Anodyne O=C1Nc2ccc(Cl)cc2N(CC2CC2)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000003963047 FI Annotated Mild Cc1ccc2[nH]c3nc(CCCn4ccnc4-c4ccccc4)nnc3c2c1 ZINC000003965561 FI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000003978362 FI Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 ZINC000003978363 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000003978765 FI Annotated Anodyne in-vitro Cc1cc(=O)oc2c1c(OCCCN(C)C)cc1oc3ccccc3c12 ZINC000003982724 FI Annotated Bother CC[C@H](C)/C=C/C=C(\C)C[C@@H](C)/C=C/C=C/[C@H]1OC(=O)[C@H](O)[C@@H]2O[C@@]21C ZINC000003985422 FI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(Cl)cc3)C[C@H]1C=N2 ZINC000003989590 FI Annotated Anodyne Clc1ccc(CO/N=C2\c3ccccc3OC[C@H]2n2ccnc2)cc1 ZINC000035001184 FI Annotated Mild Clc1ccc(CO/N=C2\c3ccccc3OC[C@@H]2n2ccnc2)cc1 ZINC000035001185 FI Annotated Mild COc1nc(Cl)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 ZINC000035010596 FI Annotated Anodyne COc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl ZINC000035013141 FI Annotated Anodyne COc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl ZINC000035013143 FI Annotated Anodyne CC(C)Oc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F ZINC000035013149 FI Annotated Anodyne Nc1cc(F)cc(-c2ccc(O)c(C(=O)[C@H]3CCc4ccccc43)c2)c1O ZINC000035070250 FI Annotated Anodyne Nc1cc(F)cc(-c2ccc(O)c(C(=O)[C@@H]3CCc4ccccc43)c2)c1O ZINC000035070252 FI Annotated Anodyne C[C@H]1CN2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075257 FI Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(F)cc4)c3C2)nc1 ZINC000035077859 FI Annotated Anodyne O=C(O)c1c(Cc2ccc(Cl)cc2)[nH]c2c3c(ccc2c1=O)CCCC3 ZINC000035087044 FI Annotated Anodyne O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCC3 ZINC000035087186 FI Annotated Anodyne COc1ccccc1N/C(S)=N\N=C1\CC(C)(C)Oc2ccc(O)cc21 ZINC000035241006 FI Annotated Mild O=c1oc(-c2cc(Cl)cc(Cl)c2)nn1Cc1cc(Cl)ccc1O ZINC000035242375 FI Annotated Clean C1=C(c2cccc(CNCCOc3cccc4c3OCCO4)c2)CCC1 ZINC000035259214 FI Annotated Anodyne C1=C(c2cncc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1 ZINC000035259217 FI Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)c1ccco1 ZINC000035259294 FI Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)c1ccco1 ZINC000035259295 FI Annotated Anodyne COc1ccc(-n2ccc3c(sc4nccc(NC5CC5)c43)c2=O)cc1 ZINC000035284360 FI Annotated Anodyne O=C(Nc1ccc(F)cc1F)N1CCC(n2cnc3cc(F)ccc32)CC1 ZINC000035314287 FI Annotated Anodyne CO/N=C(/C(=O)OC)c1ccccc1CSc1nc2ccccc2s1 ZINC000035328901 FI Annotated Mild CCCCc1c(C)nc2nc(NCc3ccc(C(C)C)cc3)nn2c1O ZINC000035562359 FI Annotated Anodyne C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1 ZINC000035858622 FI Annotated Anodyne CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OCC ZINC000035938101 FI Annotated Mild C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)OC)c(o2)C1 ZINC000035966293 FI Annotated Mild S=C(NCc1ccccc1Cl)N1CCC(c2cccc(Cl)c2)=N1 ZINC000035966652 FI Annotated Anodyne COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)O2)ccc1O ZINC000035966711 FI Annotated Anodyne in-man COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)O2)ccc1O ZINC000035966713 FI Annotated Anodyne in-man endogenous COc1cc([C@H]2OC[C@@H](CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)O2)ccc1O ZINC000035966714 FI Annotated Anodyne in-man CC[C@@H]1[C@H]2CCCCn3c([C@H]4C[C@H](C)C(=O)O4)cc(c32)[C@@H]2[C@H](C)C(=O)O[C@@H]21 ZINC000035967041 FI Annotated Anodyne CCCCCCCCCCCC#Cc1ccc([C@@H](O)[C@@H](N)CO)s1 ZINC000036079867 FI Annotated Mild CC(C)(C#N)CCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 ZINC000036093176 FI Annotated Mild CC(=O)O[C@@H](C(C)=O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 ZINC000036107747 FI Annotated Anodyne CC(=O)O[C@H](C(C)=O)[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 ZINC000036107748 FI Annotated Anodyne Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccccc2Cl)CC1 ZINC000036176440 FI Annotated Anodyne Cc1[nH]cnc1C1CCN(c2ncnc(Cl)c2-c2ccccc2)CC1 ZINC000036176481 FI Annotated Anodyne Cc1ccc([C@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@H]23)cc1 ZINC000036177281 FI Annotated Anodyne Cc1ccc([C@@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CCN(C)C[C@H]23)cc1 ZINC000036177287 FI Annotated Anodyne Cc1cc(-c2ccccn2)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 ZINC000036187612 FI Annotated Anodyne CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2o1 ZINC000036188014 FI Annotated Anodyne COc1ccc2c(c1)-c1nnc(-c3cccc(C(F)(F)F)c3)cc1C2=O ZINC000036241780 FI Annotated Clean Cc1noc(CSC[C@@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000036271507 FI Annotated Anodyne CCCCCCCCCCN1C(=O)C2CC(c3ccc(N)cc3)(C2)C1=O ZINC000036289276 FI Annotated Mild N[C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000036310909 FI Annotated Anodyne CN(C)CCc1cccc2[nH]c(-c3nc(CC4CCCCC4)no3)cc12 ZINC000036311397 FI Annotated Anodyne CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCC4)no3)cc12 ZINC000036311407 FI Annotated Anodyne Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)c(C(=O)O)c21 ZINC000036350468 FI Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=C[C@H](OC)OC2=O)C/C=C\C=C/1C(=O)O ZINC000036375350 FI Annotated Mild CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(Cl)nc2c1O ZINC000036380899 FI Annotated Clean CC(C)(C)C(=O)OCCNc1nc(-c2cccs2)nc2ccccc12 ZINC000036381492 FI Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccccc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 ZINC000036381780 FI Annotated Anodyne C[C@@H]1C=CCCO[C@]12C(=O)N(CC1CC1)c1cccc(Br)c12 ZINC000036381895 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccc(F)cc1 ZINC000036381901 FI Annotated Anodyne CC1=C[C@@H](C)O[C@@]2(C1)C(=O)N(CC1CC1)c1cccc(Br)c12 ZINC000036381933 FI Annotated Anodyne C=CCN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000036381977 FI Annotated Mild C=CCN1C(=O)[C@@]2(CC(C)=CC[C@@H](C)O2)c2c(Br)cccc21 ZINC000036381982 FI Annotated Mild C=CCN1C(=O)[C@@]2(CC(C)=C[C@@H](COc3ccccc3)O2)c2ccccc21 ZINC000036381992 FI Annotated Mild CCCCCC1=CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2CC1 ZINC000036382034 FI Annotated Anodyne COc1cc(F)c(C2=CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)cc1F ZINC000036382249 FI Annotated Mild CCOC(=O)c1cccc(C2=CC(=O)C[C@H](c3ccc(OC)cc3)C2)c1 ZINC000036382265 FI Annotated Mild CC(=O)Nc1ccc(SCCN2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000036382898 FI Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c1 ZINC000036383189 FI Annotated Mild CC(C)(C)c1ccc(O[C@H]2[C@H](/C=C/C#Cc3ccccc3)OC[C@H]2O)cc1 ZINC000036384624 FI Annotated Mild O=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)nc1 ZINC000036387387 FI Annotated Anodyne C=CC[C@]12CCc3ccccc3[C@H]1N(c1ccc(C(=O)OCC)cc1)C2=O ZINC000036387659 FI Annotated Mild C=CC[C@]12CCc3ccccc3[C@@H]1N(c1ccc(C(=O)OCC)cc1)C2=O ZINC000036387660 FI Annotated Mild CC[C@]1(c2ccccc2OC)ON(c2ccccc2C(F)(F)F)C1=O ZINC000036387696 FI Annotated Anodyne CC[C@@]1(c2ccccc2OC)ON(c2ccccc2C(F)(F)F)C1=O ZINC000036387697 FI Annotated Anodyne CC(=O)[C@]1(Cc2ccccc2C)C(=O)Oc2ccc3ccccc3c2N1C ZINC000036387728 FI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4C ZINC000036387860 FI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4C ZINC000036387861 FI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC(=O)N4C ZINC000036387862 FI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N(C)[C@@](C)(CC[C@@H]21)C3 ZINC000036387863 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)C=C(c3cccc(OC)c3OC)C2)cc1OC ZINC000036388280 FI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3cc(C=O)ccc3OC)C2)cc1OC ZINC000036388318 FI Annotated Mild CC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccc(Cl)nc2c1O ZINC000036388632 FI Annotated Clean COc1cc(OC)cc(-c2sc3ccc(OC)cc3c2C#CCCO)c1 ZINC000036388687 FI Annotated Mild COc1ccc2sc(-c3ccc(N(C)C)cc3)c(C#CCCO)c2c1 ZINC000036388694 FI Annotated Mild O=C(OCCc1cc2ccccc2c(=O)o1)c1ccccc1C(F)(F)F ZINC000036388806 FI Annotated Anodyne COc1ccc(-c2sc3cc(OC)c(OC)cc3c2C#CCCO)cc1 ZINC000036388968 FI Annotated Mild CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2)c2ncn(C(C)C)c2c1 ZINC000036389249 FI Annotated Anodyne CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2)c2ncn(C(C)C)c2c1 ZINC000036389250 FI Annotated Anodyne Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(F)ccc4c3c2c1=O ZINC000036399508 FI Annotated Bother CC(=O)O[C@@H]1C[C@@H](/C(C)=C\CC=C(C)C)[C@@H]([C@H]2C(=O)C=C[C@H]2C)[C@@H]1C=O ZINC000036440967 FI Annotated Mild C=C[C@@](C)(O)CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@]2(C)[C@H](OC(C)=O)C[C@H]1C ZINC000036453355 FI Annotated Mild COc1ccc([C@@H]2CC(c3cc(OC)c4occc4c3OC)=NO2)cc1 ZINC000036519491 FI Annotated Anodyne COc1ccc([C@H]2CC(c3cc(OC)c4occc4c3OC)=NO2)cc1 ZINC000036519493 FI Annotated Anodyne Cc1ccc(N2CCc3ncnc(NCc4ccc(Cl)cc4)c3C2)nc1 ZINC000036520244 FI Annotated Anodyne Cn1cc([C@@H](CN)c2cncc(/C=C\c3ccncc3)c2)c2ccccc21 ZINC000037867092 FI Annotated Anodyne Cn1cc([C@H](CN)c2cncc(/C=C\c3ccncc3)c2)c2ccccc21 ZINC000037867093 FI Annotated Anodyne CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OCC ZINC000037868336 FI Annotated Mild C1=CN2CCCN3C=CC(=NCCCN=C1c1ccccc12)c1ccccc13 ZINC000377482985 FI Annotated Anodyne O=c1cccc2n1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 ZINC000377500249 FI Annotated Anodyne Cc1c(O)c2ccccc2c2c1sc(=Nc1ccccc1)n2CCO ZINC000377640464 FI Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377812488 FI Annotated Mild C1=CN2C=CC1=NCc1cccc(c1)CN=C1C=CN(C=C1)CCCCC2 ZINC000377815060 FI Annotated Anodyne C1=CN2C=CC1=NCc1ccc(cc1)CN=C1C=CN(C=C1)CCCCC2 ZINC000377815073 FI Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(Oc3ccccc3)ccc21 ZINC000377815877 FI Annotated Anodyne CC(=O)N=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 ZINC000377819861 FI Annotated Bother Cc1ccn(CCCc2ccc(CCCn3ccc(C)cc3=N)cc2)c(=N)c1 ZINC000377820928 FI Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccsc3)ccc21 ZINC000377836350 FI Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3cccs3)ccc21 ZINC000377836361 FI Annotated Anodyne Cn1c2ccccc2n2c3ccccc3c(=NCc3ccco3)c(C#N)c12 ZINC000377841315 FI Annotated Mild O=[N+](Nc1ncc(-c2ccccc2)cn1)c1ncc(-c2ccccc2)cn1 ZINC000377843331 FI Annotated Anodyne CN1/C(=C\C=N/N=c2/sc3ccccc3n2C)Sc2ccc(F)cc21 ZINC000377848864 FI Annotated Mild CN1/C(=C/C=N/N=c2/sc3ccccc3n2C)Sc2ccc(F)cc21 ZINC000377848865 FI Annotated Mild CN1/C(=C/C=N/N=c2/sc3ccccc3n2C)Sc2ccccc21 ZINC000377848868 FI Annotated Mild CN1/C(=C\C=N/N=c2/sc3ccccc3n2C)Sc2ccccc21 ZINC000377848869 FI Annotated Mild CCCCCCCCCCCC[N+](C)(C)CC1=CC(=[N+]([O-])O)C=CC1=O ZINC000378063449 FI Annotated Mild CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C\CC[C@@]1(C)O[C@@H]1C2=O ZINC000038140217 FI Annotated Anodyne CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C\CC[C@@]1(C)O[C@@H]1[C@@H]2O ZINC000038140220 FI Annotated Anodyne CC1=C[C@@H](C)O[C@]2(C1)C(=O)N(CC1CC1)c1cccc(Br)c12 ZINC000038142339 FI Annotated Anodyne C=CCN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000038142362 FI Annotated Mild CCCCCC1=CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2CC1 ZINC000038142401 FI Annotated Anodyne C=CCn1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21 ZINC000038142844 FI Annotated Mild CCn1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21 ZINC000038142846 FI Annotated Anodyne N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccc2)c1 ZINC000038145334 FI Annotated Reactive N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccccc2)c1 ZINC000038145335 FI Annotated Reactive CCc1c(C#N)c(-c2ccc(-c3ccccc3C#N)cc2)c(C(=O)O)n1C ZINC000038147768 FI Annotated Mild CCc1c(C#N)c(-c2ccc(-c3cccc(C#N)c3)cc2)c(C(=O)O)n1C ZINC000038147769 FI Annotated Mild COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3cccc(F)c3)c2c1 ZINC000038149677 FI Annotated Mild CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccc(SC)cc1)CCC2 ZINC000038149908 FI Annotated Reactive CCc1c2c(n(C)c1C)CCC/C2=N\OC(=O)Nc1ccc(C(C)=O)cc1 ZINC000038149923 FI Annotated Mild COc1ccc(CCN2C(=O)CS[C@@]23CCc2cc(Cl)ccc23)cc1 ZINC000038149927 FI Annotated Anodyne COc1ccc(CCN2C(=O)CS[C@]23CCc2cc(Cl)ccc23)cc1 ZINC000038149928 FI Annotated Anodyne COc1ccc(CCN2C(=O)CS[C@]2(C)c2ccc(C)c(C)c2)cc1 ZINC000038149933 FI Annotated Anodyne COc1ccc(CCN2C(=O)CS[C@@]2(C)c2ccc(C)c(C)c2)cc1 ZINC000038149934 FI Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/C=C\c3ccc(O)c(OC)c3)oc2c1 ZINC000038150778 FI Annotated Anodyne COCc1cc2c(s1)CN(C)C[C@H]2c1ccc(Br)cc1 ZINC000038157542 FI Annotated Anodyne COCc1cc2c(s1)CN(C)C[C@@H]2c1ccc(Br)cc1 ZINC000038157543 FI Annotated Anodyne COc1cc([C@]2(OC)C=CC3(CCCCCC3)OO2)cc(OC)c1OC ZINC000038158533 FI Annotated Reactive COc1cc([C@@]2(OC)C=CC3(CCCCCC3)OO2)cc(OC)c1OC ZINC000038158534 FI Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@]13OO2 ZINC000038158733 FI Annotated Reactive Fc1ccc([C@@H]2OO[C@@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000038158845 FI Annotated Reactive Fc1ccc([C@H]2OO[C@@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000038158846 FI Annotated Reactive Fc1ccc([C@@H]2OO[C@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000038158847 FI Annotated Reactive Fc1ccc([C@H]2OO[C@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1 ZINC000038158848 FI Annotated Reactive Cc1cc(=O)oc2cc(OCCCN(C)C)c3c4c(oc3c12)CCCC4 ZINC000038238207 FI Annotated Anodyne COc1ccc(OC)c2cc3c(cc12)C(=O)c1occ2c1[C@@]3(C)CCC2=O ZINC000038244482 FI Annotated Anodyne Cc1noc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1 ZINC000038278798 FI Annotated Anodyne COC(=O)c1cc(-c2cccs2)c2c3cc(OC)c(O)cc3ccn12 ZINC000038278820 FI Annotated Anodyne CO/C1=C/C(=O)CCc2cc3c(c(c2)Oc2ccc(cc2)CC1)OCO3 ZINC000038298324 FI Annotated Mild C=C[C@@](C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](O)[C@H]1C)C(C)(C)CCC2 ZINC000038298628 FI Annotated Mild C=C[C@](C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](O)[C@H]1C)C(C)(C)CCC2 ZINC000038298629 FI Annotated Mild in-vitro biogenic Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N)c2)c1 ZINC000038318391 FI Annotated Anodyne CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3 ZINC000038318659 FI Annotated Reactive Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 ZINC000038345001 FI Annotated Anodyne CCc1c(Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)nn1CCO ZINC000038464256 FI Annotated Anodyne COc1cc2c(ccc3c(CCNCC(C)C)cc(O)c(OC)c32)cc1O ZINC000038495408 FI Annotated Bother Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O ZINC000038544449 FI Annotated Bother COC(=O)C1=CC(=O)C[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)O ZINC000038620904 FI Annotated Mild CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccc(C)cc3)C[C@H]1CCc1cc(O)ccc12 ZINC000038621225 FI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@]12O ZINC000038697628 FI Annotated Anodyne C/C=C/C#CC#C/C=C/C=C\CCOC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000038697889 FI Annotated Mild CCCCNCCc1cc(O)c(OC)c2c1ccc1cc(O)c(OC)cc12 ZINC000038698708 FI Annotated Bother O=C(Nc1ccccc1-c1nc(Cl)cs1)OCC1CCNCC1 ZINC000038793276 FI Annotated Anodyne CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)c(O)c2)C1 ZINC000038795071 FI Annotated Clean COC(=O)CCCC#CC#CCCCC/C=C/C#C/C=C/Br ZINC000038824626 FI Annotated Mild CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(SC(F)(F)F)cc1 ZINC000038841173 FI Annotated Anodyne CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(SC(F)(F)F)cc1 ZINC000038841175 FI Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@]3(C)CCC[C@@](C)(O3)[C@@H]2O1 ZINC000038880354 FI Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)/C=C/[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 ZINC000038895358 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000038895814 FI Annotated Anodyne C=C(C)[C@H]1C[C@@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@H](C)CC)=C3O ZINC000038930935 FI Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@](C)(C[C@H]2C1(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C3O ZINC000038930937 FI Annotated Mild c1cnn(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)c1 ZINC000038931332 FI Annotated Anodyne CC[C@@]12C[C@](O)(CC)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000038932515 FI Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O ZINC000038963131 FI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000386920750 FI Annotated Anodyne CC1(C)C[C@H](OC(=O)c2ccccc2)c2cc3ccc(=O)oc3cc2O1 ZINC000039008246 FI Annotated Anodyne CC1(C)C[C@@H](OC(=O)c2ccccc2)c2cc3ccc(=O)oc3cc2O1 ZINC000039008247 FI Annotated Anodyne CC1(C)C[C@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)O1 ZINC000039029046 FI Annotated Anodyne CC1(C)C[C@@H](OC(=O)c2ccccc2)c2c(ccc3ccc(=O)oc23)O1 ZINC000039029047 FI Annotated Anodyne Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1C(F)(F)C(F)(F)F ZINC000039034754 FI Annotated Reactive CCCN(C(=O)n1oc(C)c(SCC)c1=O)c1ccc(Cl)cc1 ZINC000039052829 FI Annotated Anodyne C=C(C)[C@H]1CC/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(COC(C)=O)=C\[C@@H]1O ZINC000039053851 FI Annotated Mild CCSc1c(C)on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O ZINC000039094721 FI Annotated Anodyne COc1ccc([C@@](O)(Cc2ccccc2)c2ncnc3ccccc23)cc1 ZINC000039094927 FI Annotated Anodyne COc1ccc([C@](O)(Cc2ccccc2)c2ncnc3ccccc23)cc1 ZINC000039094929 FI Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)C(=O)OC)[C@@]2(C)CC(=O)O)O1 ZINC000039161086 FI Annotated Mild COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(C(C)C)CC4)cc1O ZINC000039161129 FI Annotated Clean in-vivo COc1ccc(-c2cc3c(n2-c2ccc(O)c(C(=O)O)c2)CCCC3)cc1 ZINC000039194362 FI Annotated Clean COc1cccc(-c2cc3c(n2-c2ccc(O)c(C(=O)O)c2)CCCC3)c1 ZINC000039194363 FI Annotated Clean COc1ccccc1-c1cc2c(n1-c1ccc(O)c(C(=O)O)c1)CCCC2 ZINC000039194364 FI Annotated Clean N#Cc1ccc(-c2cc3c(n2-c2ccc(O)c(C(=O)O)c2)CCCC3)cc1 ZINC000039194372 FI Annotated Mild CO[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1 ZINC000039194386 FI Annotated Clean CO[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1 ZINC000039194388 FI Annotated Clean C[C@@H](CN(C)C)Oc1ccc2oc3ccc(O[C@@H](C)CN(C)C)cc3c2c1 ZINC000039208132 FI Annotated Anodyne C[C@@H](CN(C)C)Oc1ccc2oc3ccc(O[C@H](C)CN(C)C)cc3c2c1 ZINC000039208133 FI Annotated Anodyne C[C@H](CN(C)C)Oc1ccc2oc3ccc(O[C@H](C)CN(C)C)cc3c2c1 ZINC000039208134 FI Annotated Anodyne COc1cc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc(OC)c1OC ZINC000039214873 FI Annotated Anodyne COc1ccc2c(c1)OC1(CCN(Cc3ccccc3C)CC1)CC2=O ZINC000039227081 FI Annotated Anodyne CNC1(c2ccccc2)CN(C2c3ccccc3CCc3ccccc32)C1 ZINC000039236471 FI Annotated Anodyne O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(F)cc3c12 ZINC000039365321 FI Annotated Bother CN(C)Cc1nccn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000039416777 FI Annotated Anodyne COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@@H](C)[C@H]2C)cc1OC ZINC000039427892 FI Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1cccc2cccnc12 ZINC000039468210 FI Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@H](C)NCc1cccc2cccnc12 ZINC000039468212 FI Annotated Anodyne c1ccc(-c2nc(CN3CC[C@]4(CCCN(CC5CC5)C4)C3)co2)cc1 ZINC000039552364 FI Annotated Anodyne c1ccc(-c2nc(CN3CC[C@@]4(CCCN(CC5CC5)C4)C3)co2)cc1 ZINC000039552365 FI Annotated Anodyne C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(C)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000039559771 FI Annotated Mild O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12 ZINC000039829618 FI Annotated Anodyne C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1 ZINC000004005948 FI Annotated Mild Cc1cc(-c2n[nH]c3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)c(C)s1 ZINC000004014719 FI Annotated Reactive Cc1cc(-c2n[nH]c3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)c(C)s1 ZINC000004014721 FI Annotated Reactive C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5ccccc5C4)[C@H]3C=C12 ZINC000004026557 FI Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1Cc1ccccc1 ZINC000004048877 FI Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1Cc1ccccc1 ZINC000004048878 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OCC ZINC000004049523 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OCC ZINC000004049524 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OCC ZINC000004049525 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OCC ZINC000004049526 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OCC)cc1 ZINC000004049543 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OCC)cc1 ZINC000004049544 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OCC)cc1 ZINC000004049545 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OCC)cc1 ZINC000004049546 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049875 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049876 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049879 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049881 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049910 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049912 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049913 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049915 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055238 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055239 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004055240 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004055241 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055514 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055515 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055516 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055517 FI Annotated Anodyne CCOc1ccc(NC(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 ZINC000004059526 FI Annotated Anodyne Cc1c(C(=O)NCc2ccoc2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000004078522 FI Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC ZINC000004079367 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080500 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080503 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080504 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080507 FI Annotated Anodyne Cc1cc(N(C)C)cc(C)[n+]1OC(=O)N(c1ccccc1)c1ccccc1 ZINC000004094409 FI Annotated Mild Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000004094411 FI Annotated Mild Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000004094412 FI Annotated Mild O=C1C[C@@H]2c3ccccc3O[C@H]3c4cc(O)ccc4-c4c(O)cc(O)c1c4[C@H]23 ZINC000004098448 FI Annotated Anodyne biogenic in-vivo Cc1ccc(F)c(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000004105190 FI Annotated Mild Cc1cc(NC(=O)c2c(F)cccc2F)nc2c1c(=O)oc1ccccc12 ZINC000004108176 FI Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1 ZINC000004152633 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1 ZINC000004152635 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1 ZINC000004152637 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1 ZINC000004152638 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccsc1 ZINC000004153219 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccsc1 ZINC000004153221 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccsc1 ZINC000004153223 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccsc1 ZINC000004153224 FI Annotated Anodyne N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004159732 FI Annotated Mild O=P1(Nn2cnnc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000004164330 FI Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@@H]1C3 ZINC000004166175 FI Annotated Anodyne in-vitro CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@@H]1C3 ZINC000004166188 FI Annotated Anodyne in-vitro CC1(C)CC(=O)c2cc3c(N)c(C(=O)c4cccs4)sc3nc2C1 ZINC000004192852 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004206742 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004206744 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004206746 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004206750 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207463 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207464 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207465 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207466 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212536 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212538 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004212541 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004212544 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCC#N ZINC000004213922 FI Annotated Mild CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCC#N ZINC000004213924 FI Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCC#N ZINC000004213926 FI Annotated Mild CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCC#N ZINC000004213928 FI Annotated Mild CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCC#N ZINC000004213961 FI Annotated Mild CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCC#N ZINC000004213963 FI Annotated Mild CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCC#N ZINC000004213964 FI Annotated Mild CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCC#N ZINC000004213965 FI Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214055 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214056 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214060 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004214063 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCC#N ZINC000004214542 FI Annotated Mild CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCC#N ZINC000004214543 FI Annotated Mild CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCC#N ZINC000004214545 FI Annotated Mild CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCC#N ZINC000004214546 FI Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215152 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215155 FI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215156 FI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215158 FI Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]45CC(=O)C[C@H](SS4)[C@]35C)[C@@H]1CCC(=O)O2 ZINC000004217188 FI Annotated Reactive in-vitro FC(F)(F)c1cc(CN2CC[C@@]3(CCCNC3)C2)cc(C(F)(F)F)c1 ZINC000004237984 FI Annotated Anodyne O=C(Oc1ccccc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 ZINC000004238005 FI Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1C1CC1 ZINC000004238497 FI Annotated Anodyne COc1ccc(CNc2ccnc(-c3ccccc3Cl)n2)c(OC)c1 ZINC000004265906 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295707 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295710 FI Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295714 FI Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295715 FI Annotated Anodyne CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C1CC1 ZINC000004341992 FI Annotated Anodyne Cc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000004355014 FI Annotated Anodyne CN1CCC[C@H](C/N=C2\Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040375254 FI Annotated Reactive CN1CCC[C@@H](C/N=C2\Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040375256 FI Annotated Reactive Cc1ccccc1-c1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000040378981 FI Annotated Anodyne Cc1ccc(S(=O)(=O)c2cc(O)c(Sc3ccccc3)c(C)n2)cc1 ZINC000040379569 FI Annotated Anodyne Cc1ccc(N2CCn3c(COc4ccc(Cl)cc4C)nnc32)cc1 ZINC000040379603 FI Annotated Anodyne O=S(=O)(O)c1cc(O)c(/N=C/c2c[nH]c3ccccc23)c2ccccc12 ZINC000040379633 FI Annotated Mild O=C(c1ccccc1-c1ccncc1)N1CCc2c([nH]c3ccccc23)C1 ZINC000040379698 FI Annotated Anodyne CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCC1CCCCC1 ZINC000040379860 FI Annotated Mild CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCC1CCCCC1 ZINC000040379861 FI Annotated Mild N#Cc1ccc(Nc2nc(N)nc(Oc3ccc4ccccc4c3)n2)cc1 ZINC000040380202 FI Annotated Mild CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)nc1OC ZINC000040380366 FI Annotated Anodyne Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)[C@H]2n2ccnc2)cc1 ZINC000040380435 FI Annotated Anodyne COc1ccccc1OC(=O)C=C1c2ccccc2C(=O)c2ccccc21 ZINC000040380723 FI Annotated Anodyne CCN(CC)Cc1cccc(/C=C2\Cc3cc(OC)c(OC)cc3C2=O)c1 ZINC000040391642 FI Annotated Mild CC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(C)cc1 ZINC000040392180 FI Annotated Mild CC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@H]1Sc1ccc(C)cc1 ZINC000040392183 FI Annotated Mild CC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(C)cc1 ZINC000040392186 FI Annotated Mild CC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@H]1Sc1ccc(C)cc1 ZINC000040392189 FI Annotated Mild CCC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040392201 FI Annotated Mild CCC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040392203 FI Annotated Mild Nn1c(SC2CCCCC2)nc2sc(-c3ccccc3)cc2c1=O ZINC000040392602 FI Annotated Anodyne N#Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)n2c1ccc1ccccc12 ZINC000040393096 FI Annotated Mild Cc1cc(C)c(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1 ZINC000040394885 FI Annotated Anodyne Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2ccccc2O)n1 ZINC000040395201 FI Annotated Anodyne O=c1c2ccccc2n2c(-c3ccccc3Cl)nnc2n1-c1ccccc1 ZINC000040395535 FI Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(C)cc1 ZINC000040401826 FI Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 ZINC000040401982 FI Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@H]3O[C@H](C[C@@]4(C)CCC[C@]3(C)O4)[C@@H]21 ZINC000040401985 FI Annotated Anodyne CNC1=Nc2ncccc2C(c2ccco2)=N[C@@H]1c1sccc1Cl ZINC000040402622 FI Annotated Anodyne CNC1=Nc2ncccc2C(c2ccco2)=N[C@H]1c1sccc1Cl ZINC000040402625 FI Annotated Anodyne C[C@H](Nc1ncc(C#N)c(N2CCc3ccccc3C2)n1)c1ccccc1 ZINC000040404440 FI Annotated Mild C[C@@H](Nc1ncc(C#N)c(N2CCc3ccccc3C2)n1)c1ccccc1 ZINC000040404443 FI Annotated Mild CN(CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1 ZINC000040404464 FI Annotated Anodyne CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O ZINC000040404539 FI Annotated Anodyne Fc1ccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)c(F)c1 ZINC000040404911 FI Annotated Anodyne CC12C[C@@](C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12 ZINC000040405599 FI Annotated Anodyne CC12C[C@](C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12 ZINC000040405602 FI Annotated Anodyne O=C1c2ccccc2N[C@@]2(C(F)(F)F)c3[nH]c4ccccc4c3CCN12 ZINC000040405939 FI Annotated Anodyne O=C1c2ccccc2N[C@]2(C(F)(F)F)c3[nH]c4ccccc4c3CCN12 ZINC000040405942 FI Annotated Anodyne COc1ccc2c(c1)[C@H](c1ccccc1N)N(CCOc1ccccc1)CC2 ZINC000040407484 FI Annotated Anodyne COc1ccc2c(c1)[C@@H](c1ccccc1N)N(CCOc1ccccc1)CC2 ZINC000040407488 FI Annotated Anodyne Clc1cccc2c1CC[C@H](Cn1cncn1)/C2=N/OCc1ccccc1 ZINC000040407647 FI Annotated Mild Clc1cccc2c1CC[C@@H](Cn1cncn1)/C2=N/OCc1ccccc1 ZINC000040407650 FI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1ccc(Cl)cc1 ZINC000040408783 FI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1ccc(Cl)cc1 ZINC000040408787 FI Annotated Mild COc1cc(OC)c2c(C)[n+](-c3ccc4scnc4c3)c(C)cc2c1 ZINC000040409157 FI Annotated Anodyne CNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccccc2C)s1 ZINC000040409241 FI Annotated Anodyne O=S(=O)(Nc1cc(Cl)nc(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000040411067 FI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@H]2c2c(F)cccc2C(F)(F)F)n1 ZINC000040411827 FI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@@H]2c2c(F)cccc2C(F)(F)F)n1 ZINC000040411830 FI Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000040411898 FI Annotated Anodyne C=C1C[C@H]2[C@@](C)(CO)C(=O)CC[C@]2(C)c2c(O)cc(C(C)C)c(OC)c21 ZINC000040412995 FI Annotated Mild CC(C)(C)OC(=O)N1CC2(C1)C(=O)N(c1ccccc1)[C@H]2c1ccccc1 ZINC000040413853 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)C(=O)N(c1ccccc1)[C@@H]2c1ccccc1 ZINC000040413855 FI Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CSc3ncccn3)C[C@@H]1O2 ZINC000040420711 FI Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CSc3ncccn3)C[C@@H]1O2 ZINC000040420713 FI Annotated Anodyne C#CCN1C=N[C@H](c2ccc(O)cc2Cl)[C@@H]1c1ccc(O)cc1Cl ZINC000040420814 FI Annotated Mild C#CCN1C=N[C@@H](c2ccc(O)cc2Cl)[C@@H]1c1ccc(O)cc1Cl ZINC000040420816 FI Annotated Mild C#CCN1C=N[C@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl ZINC000040420818 FI Annotated Mild C#CCN1C=N[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl ZINC000040420820 FI Annotated Mild CC[C@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21 ZINC000040421417 FI Annotated Mild Cn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1 ZINC000040421867 FI Annotated Anodyne COc1cc2c(C=O)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040421937 FI Annotated Bother CN(C)C12CCNC([C@H](c3ccc(F)cc3)C1)[C@H](c1ccc(F)cc1)C2 ZINC000040423206 FI Annotated Anodyne CN(C)C12CCNC([C@H](c3ccc(F)cc3)C1)[C@@H](c1ccc(F)cc1)C2 ZINC000040423207 FI Annotated Anodyne CN(C)C12CCNC([C@@H](c3ccc(F)cc3)C1)[C@@H](c1ccc(F)cc1)C2 ZINC000040423208 FI Annotated Anodyne Cc1ccc(-c2nocc2/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 ZINC000040423430 FI Annotated Anodyne CCC[C@H](O)/C=C/C=C/C=C/C#CC#CCCCOC(=O)c1ccccc1 ZINC000040423630 FI Annotated Mild CCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCCOC(=O)c1ccccc1 ZINC000040423631 FI Annotated Mild CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@]2(C)[C@H]1O ZINC000040423761 FI Annotated Anodyne COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@@H](C)[C@@H]2C)cc1OC ZINC000040423820 FI Annotated Anodyne in-vitro biogenic C[C@@H]1CC2=C(C(=O)O1)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040424077 FI Annotated Anodyne C[C@H]1CC2=C(C(=O)O1)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040424078 FI Annotated Anodyne C[C@@H]1CC2=C(C(=O)O1)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040424079 FI Annotated Anodyne C[C@H]1CC2=C(C(=O)O1)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040424080 FI Annotated Anodyne Cc1cccc(C)c1COc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 ZINC000040424704 FI Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc(C)cc1 ZINC000040425012 FI Annotated Anodyne Cc1nc2c3c(c(-n4ccccc4=O)cn2c1C)CC[C@@H](c1ccccc1)N3 ZINC000040425064 FI Annotated Anodyne C[N+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040434026 FI Annotated Reactive C[N+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040434028 FI Annotated Reactive CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 ZINC000040465098 FI Annotated Anodyne CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 ZINC000040465099 FI Annotated Anodyne CCCCN1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 ZINC000040465536 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000040472108 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 ZINC000040472111 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000040472114 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000040472117 FI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000404507161 FI Annotated Anodyne Cc1nc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1Br ZINC000404576179 FI Annotated Anodyne CCOC(=O)C1=C[C@H]2[C@H]3c4c(c5ccccc5n41)CCN3CC[C@H]2CC ZINC000040510567 FI Annotated Anodyne CCOC(=O)C1=C[C@@H]2[C@@H](CC)CCN3CCc4c(n1c1ccccc41)[C@H]23 ZINC000040510568 FI Annotated Anodyne CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C)OC1=O ZINC000040556583 FI Annotated Anodyne CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O ZINC000040556694 FI Annotated Anodyne CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O ZINC000040556709 FI Annotated Anodyne CCN1CC[C@@H](CN(Cc2ccccc2)Cc2c(F)cccc2F)OC1=O ZINC000040556721 FI Annotated Anodyne Cc1cc(=O)oc2cc(OCCCN(C)C)c3c4ccccc4oc3c12 ZINC000040566890 FI Annotated Bother CCCCN1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1Cc1ccccc1 ZINC000040567116 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2c(ccc3c2C(=O)C(=O)c2c(C)coc2-3)C1(C)C ZINC000040567176 FI Annotated Clean C[S@](=O)C[C@@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000040567201 FI Annotated Anodyne C[S@](=O)C[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000040567202 FI Annotated Anodyne C[S@@](=O)C[C@@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000040567203 FI Annotated Anodyne C[S@@](=O)C[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000040567204 FI Annotated Anodyne Cc1cc(C)c2oc(Nc3ccc(-c4noc5ncnc(N)c45)cc3)nc2c1 ZINC000040567821 FI Annotated Anodyne C[S@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O ZINC000040567923 FI Annotated Anodyne C[S@@](=O)C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O ZINC000040567925 FI Annotated Anodyne CSC[C@H]1[C@H]2CC[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C2)[C@@H]1O ZINC000040567998 FI Annotated Anodyne C[S@](=O)CC1=C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000040568255 FI Annotated Anodyne C[S@@](=O)CC1=C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC3 ZINC000040568257 FI Annotated Anodyne CN(C)CCNc1ccc2oc3ccccc3c3c2c1cn3CCN(C)C ZINC000040575316 FI Annotated Bother N#CCCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040575324 FI Annotated Mild N#CCCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040575326 FI Annotated Mild CC(=O)c1ccc(NC(=O)O/N=C2\CCCC3=C2[C@@H]2CCC[C@@H]2N3)cc1 ZINC000040575703 FI Annotated Mild CC(=O)c1ccc(NC(=O)O/N=C2\CCCC3=C2[C@H]2CCC[C@@H]2N3)cc1 ZINC000040575705 FI Annotated Mild CC(=O)c1ccc(NC(=O)O/N=C2\CCCC3=C2[C@@H]2CCC[C@H]2N3)cc1 ZINC000040575707 FI Annotated Mild CC(=O)c1ccc(NC(=O)O/N=C2\CCCC3=C2[C@H]2CCC[C@H]2N3)cc1 ZINC000040575709 FI Annotated Mild CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccc(C(C)=O)cc1)CCC2 ZINC000040575711 FI Annotated Reactive CCc1[nH]c2c(c1CC)/C(=N/NC(=O)Nc1ccc(OC)cc1)CCC2 ZINC000040575719 FI Annotated Reactive COc1ccc2nc3cc(Cl)ccc3c(N/N=C/c3ncc[nH]3)c2c1 ZINC000040576417 FI Annotated Mild O=c1[nH]c2cc(Nc3ccccc3)ccc2n1Cc1c(F)cccc1F ZINC000040576522 FI Annotated Anodyne O=C(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 ZINC000040584879 FI Annotated Anodyne CC#CSc1nc([C@@H](C#N)c2cccc3ccccc23)c(CC)c(=O)[nH]1 ZINC000040587713 FI Annotated Mild CC#CSc1nc([C@H](C#N)c2cccc3ccccc23)c(CC)c(=O)[nH]1 ZINC000040587714 FI Annotated Mild CCCCNC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(C)cc1 ZINC000040617104 FI Annotated Anodyne CCCCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(C)cc1 ZINC000040617106 FI Annotated Anodyne CCc1c2c(n(C)c1CC)CCC/C2=N\N(C)C(=O)Nc1ccccc1 ZINC000040641490 FI Annotated Reactive CN(C)CCOc1ccccc1/C=C(\C#N)c1noc2ccc(Cl)cc12 ZINC000040645922 FI Annotated Reactive CCCCN1N=C2/C(=C/c3cccnc3)CSC[C@H]2[C@H]1c1cccnc1 ZINC000040651146 FI Annotated Anodyne CCN1CCC[C@@H]1CNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040651533 FI Annotated Reactive CCN1CCC[C@H]1CNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040651535 FI Annotated Reactive CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CN(C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000040662146 FI Annotated Anodyne CN1CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040663046 FI Annotated Reactive CN1CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1 ZINC000040663048 FI Annotated Reactive C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000040690365 FI Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 ZINC000040690367 FI Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000040690369 FI Annotated Anodyne CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C(C)(C)O2 ZINC000040719151 FI Annotated Bother O=C1CC2(N3CCCC3)C[C@@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 ZINC000040753120 FI Annotated Anodyne O=C1CC2(N3CCCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 ZINC000040753123 FI Annotated Anodyne O=C1CC2(N3CCCC3)C[C@@H](c3ccccc3)C(N1)[C@H](c1ccccc1)C2 ZINC000040753126 FI Annotated Anodyne C=CCSc1nc([C@@H](C#N)c2cccc3ccccc23)c(CC)c(=O)[nH]1 ZINC000040753613 FI Annotated Mild C=CCSc1nc([C@H](C#N)c2cccc3ccccc23)c(CC)c(=O)[nH]1 ZINC000040753615 FI Annotated Mild CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Cc2cc(F)ccc2C1=O ZINC000040753758 FI Annotated Anodyne CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Cc2cc(F)ccc2C1=O ZINC000040753761 FI Annotated Anodyne CCN1CC[C@@H](CN(Cc2ccccc2)Cc2cc(F)cc(F)c2)OC1=O ZINC000040764068 FI Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 ZINC000040766754 FI Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 ZINC000040766757 FI Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C(N1)[C@H](c1ccccc1)C2 ZINC000040766761 FI Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000040786580 FI Annotated Anodyne C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000040786618 FI Annotated Anodyne C[C@@]12C=C[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000040786730 FI Annotated Anodyne CCN1CCN[C@H](c2ccc(O)cc2Cl)[C@@H]1c1ccc(O)cc1Cl ZINC000040810574 FI Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc1 ZINC000040829221 FI Annotated Bother CC(C)(C)c1cc(-c2cc(CO)c(O)c(C(C)(C)C)c2)cc(CO)c1O ZINC000040829279 FI Annotated Anodyne CCCCCC[C@H](C)C(=O)/C=C1\C(C(=O)OC)=C2C=C(C)OC=C2[C@]1(C)O ZINC000040829482 FI Annotated Mild Cc1ccnc(N2C(=O)CS[C@H]2c2c(F)cccc2C(F)(F)F)c1 ZINC000040833747 FI Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@@H]2c2c(F)cccc2C(F)(F)F)c1 ZINC000040833749 FI Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Oc1ccccc1 ZINC000040834066 FI Annotated Anodyne C=C(CN[C@@H]1COc2ccccc2SC1)CSc1ccccc1OC ZINC000040835210 FI Annotated Mild O=C(O)c1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1 ZINC000040845101 FI Annotated Anodyne CN1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000040845335 FI Annotated Anodyne CN1CC[C@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000040845337 FI Annotated Anodyne CC(=O)N[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC000040845707 FI Annotated Anodyne CC(=O)N[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC000040845709 FI Annotated Anodyne S=C(N1CCCCCC1)N1CCC(c2cccc(Br)c2)=N1 ZINC000040846622 FI Annotated Anodyne Oc1ccc(-c2nc(-c3nc(S)n[nH]3)cc3c2[nH]c2ccccc23)cc1 ZINC000040846807 FI Annotated Anodyne Cc1cc(N2CCCC2=O)c2ncc(CSCCc3ccccc3)n2c1 ZINC000040847876 FI Annotated Anodyne CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cccc(C)c21 ZINC000040848022 FI Annotated Reactive Cc1cccc(Sc2c(O)cc(S(=O)(=O)c3ccccc3)nc2C)c1 ZINC000040848057 FI Annotated Anodyne N#Cc1ccc(Nc2nc(N)nc(Oc3cccc4ccccc34)n2)cc1 ZINC000040848082 FI Annotated Mild O=C(c1ccccc1-c1cccnc1)N1CCc2c([nH]c3ccccc23)C1 ZINC000040848169 FI Annotated Anodyne CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccc(C)cc1 ZINC000040848299 FI Annotated Mild CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccc(C)cc1 ZINC000040848300 FI Annotated Mild Clc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)cc2)cc1 ZINC000040848750 FI Annotated Anodyne CC(C)C[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040849214 FI Annotated Mild CC(C)C[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040849216 FI Annotated Mild Cc1nc(S(=O)(=O)c2ccccc2)cc(O)c1Sc1ccccc1 ZINC000040859889 FI Annotated Anodyne O=C(C1=NS(=O)(=O)c2ccccc2S1)c1ccc(Cl)c(Cl)c1 ZINC000040860347 FI Annotated Anodyne c1ccc(NN=C(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 ZINC000040861064 FI Annotated Mild CC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040861255 FI Annotated Mild CC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@H]1Sc1ccc(F)cc1 ZINC000040861257 FI Annotated Mild CC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040861259 FI Annotated Mild CC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@H]1Sc1ccc(F)cc1 ZINC000040861261 FI Annotated Mild O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 ZINC000040861469 FI Annotated Bother CC(C)[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040861674 FI Annotated Mild CC(C)[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040861676 FI Annotated Mild C/C=C/C(P1(=O)OCC(C)(C)CO1)P1(=O)OCC(C)(C)CO1 ZINC000040863032 FI Annotated Anodyne COc1cc2[nH]c(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)cc2cc1F ZINC000040865547 FI Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/C[C@H]12 ZINC000040866015 FI Annotated Mild Cc1cc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)nc(C)n1 ZINC000040866485 FI Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)nc(C)n1 ZINC000040866487 FI Annotated Anodyne O=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2nc1-c1ccccc1 ZINC000040867243 FI Annotated Reactive CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1 ZINC000040872613 FI Annotated Anodyne CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)n1N ZINC000040872644 FI Annotated Anodyne CCCN1CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 ZINC000040872893 FI Annotated Clean in-vivo O=S(=O)(c1ccc2ccccc2c1)c1cc(O)c2ccccc2c1O ZINC000040874372 FI Annotated Anodyne in-vivo CCN(CC)Cc1ccc(/C=C2\Oc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040874500 FI Annotated Mild CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F ZINC000040875042 FI Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccccc1 ZINC000040876375 FI Annotated Anodyne CC(C)CCCOC(=O)c1cc(CO)cc(C(=O)OCCCC(C)C)c1 ZINC000040876496 FI Annotated Anodyne CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000040877075 FI Annotated Mild CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000040877079 FI Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1nc3c(c(N)c1[C@H]2c1ccncc1)CCCC3 ZINC000040877229 FI Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1nc3c(c(N)c1[C@@H]2c1ccncc1)CCCC3 ZINC000040877233 FI Annotated Mild O=S(=O)(Oc1cccc(Cl)c1)c1ccc2[nH]c3ccncc3c2c1 ZINC000040877682 FI Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c3ncc(CCCO)cc23)cc1 ZINC000040877708 FI Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccccc1 ZINC000040878534 FI Annotated Anodyne COc1c(C(=O)C2=CN3C(=CN=C2)Nc2ccccc23)c(O)cc2occc12 ZINC000040878620 FI Annotated Mild CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Oc1ccccc1 ZINC000040879674 FI Annotated Anodyne Brc1ccccc1COc1cc2nncn2c2ccccc12 ZINC000040891673 FI Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N[C@@](C)(CC[C@@H]21)C3 ZINC000040891866 FI Annotated Anodyne Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@](C)(O)C2)CC1 ZINC000040891897 FI Annotated Anodyne Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@](C)(O)C2)CC1 ZINC000040891899 FI Annotated Anodyne Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 ZINC000040893093 FI Annotated Anodyne CCC[C@H](C)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](C)CCC)c1 ZINC000040893128 FI Annotated Anodyne CCC[C@H](C)COC(=O)c1cc(CO)cc(C(=O)OC[C@@H](C)CCC)c1 ZINC000040893131 FI Annotated Anodyne CCC[C@@H](C)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](C)CCC)c1 ZINC000040893134 FI Annotated Anodyne C=C(Br)C(=O)Nc1ccc(/C=C/C(=O)c2cccs2)cc1 ZINC000040893648 FI Annotated Mild Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccc(O)c2)n1 ZINC000040893708 FI Annotated Anodyne Cc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4C)nnc23)cc1 ZINC000040893714 FI Annotated Anodyne Oc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3cnccn3)n2)c1 ZINC000040893972 FI Annotated Anodyne O=c1c2ccccc2n2c(-c3ccccc3)nnc2n1-c1ccc(Cl)cc1 ZINC000040895008 FI Annotated Anodyne Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2ccc(O)cc2)n1 ZINC000040896727 FI Annotated Anodyne CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@H]21 ZINC000040896932 FI Annotated Anodyne CCCC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 ZINC000040897952 FI Annotated Anodyne CCCC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 ZINC000040897955 FI Annotated Anodyne c1ccc2c(c1)CC(CCN1CCC[C@H](c3ccnc(NC4CC4)n3)C1)C2 ZINC000040898211 FI Annotated Anodyne c1ccc2c(c1)CC(CCN1CCC[C@@H](c3ccnc(NC4CC4)n3)C1)C2 ZINC000040898214 FI Annotated Anodyne CCN(CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 ZINC000040899093 FI Annotated Anodyne CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 ZINC000040899096 FI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)n1 ZINC000040899222 FI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 ZINC000040899226 FI Annotated Anodyne O=C(N/N=C/c1ccc(O)cc1)Nc1nc2c(ccc3ccccc32)s1 ZINC000040899352 FI Annotated Reactive O=C(CN1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000040899396 FI Annotated Anodyne CCCCC(CCCC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040913501 FI Annotated Anodyne Brc1ccc(COc2cc3nncn3c3ccccc23)cc1 ZINC000040913742 FI Annotated Anodyne COc1ccc(/C=C/c2nc3ccccc3n3c(C(F)(F)F)nnc23)cc1 ZINC000040914216 FI Annotated Anodyne O=C(CCN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000040914513 FI Annotated Anodyne N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)C[C@@H]2CCCO2)cc1 ZINC000040914954 FI Annotated Mild N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)C[C@H]2CCCO2)cc1 ZINC000040914955 FI Annotated Mild Cc1ccccc1-c1ccc([C@H]2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc1 ZINC000040916471 FI Annotated Bother CC(=O)OC[C@H]1/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C ZINC000040916914 FI Annotated Reactive O=C1[C@@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCC1=CCCCC1 ZINC000040917149 FI Annotated Anodyne O=C1[C@@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCC1=CCCCC1 ZINC000040917151 FI Annotated Anodyne O=C1[C@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCC1=CCCCC1 ZINC000040917153 FI Annotated Anodyne O=C1[C@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCC1=CCCCC1 ZINC000040917155 FI Annotated Anodyne S=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2cccc(Cl)c2)=N1 ZINC000040917274 FI Annotated Anodyne COc1ccc(/C=C/C(=O)c2cccs2)c(CN2CCCCC2)c1O ZINC000040917686 FI Annotated Mild Cc1ccccc1Nc1nc(C)n(CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000040917738 FI Annotated Bother C[N+](C)(C)c1cccc(OCCCCOc2cccc([N+](C)(C)C)c2)c1 ZINC000040918216 FI Annotated Bother Cc1ccccc1Nc1ncn(CC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040918292 FI Annotated Bother CCCCCC[C@@H](CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040933158 FI Annotated Anodyne Cc1ncccc1Oc1ccc(N(C)C(=O)c2c[nH]c3ccccc23)cn1 ZINC000040933924 FI Annotated Anodyne O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cscn1 ZINC000040934953 FI Annotated Anodyne CCSC(=S)SCC(=O)c1ccc(-c2ccc(N)cn2)s1 ZINC000040935543 FI Annotated Anodyne Nc1cccc(Nc2ncnc3c2ncn3CCc2ccc(Cl)cc2)c1 ZINC000040935555 FI Annotated Anodyne Cc1ncccc1Oc1ccc(N(C)C(=O)c2cn(C)c3ccccc23)cn1 ZINC000040936267 FI Annotated Anodyne CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000040937204 FI Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000040937206 FI Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000040937208 FI Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000040937210 FI Annotated Mild O=C1OC2(CCOCC2)CN1Cc1ccc(OCC2CCCCC2)cc1 ZINC000040937438 FI Annotated Anodyne CC[C@H](Cn1ccc(C(F)(F)F)n1)OC(=O)Nc1ccc(F)cc1F ZINC000040937517 FI Annotated Anodyne Cc1c(C2CCNCC2)ccnc1OCc1cccc(C(F)(F)F)c1 ZINC000040938397 FI Annotated Anodyne CCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccccc12 ZINC000040938991 FI Annotated Bother Cc1cccc(Nc2nccc3c2CN(C(=O)c2cc(C)n(C)c2C)CC3)c1 ZINC000040939165 FI Annotated Anodyne C#Cc1cccc(Nc2nc(N)nc3[nH]c(CCc4ccccc4)cc23)c1 ZINC000040939229 FI Annotated Mild Nc1cc(N)c2nc(-c3ccccc3)c(NCc3ccc(F)cc3)nc2c1 ZINC000040939409 FI Annotated Anodyne Cc1cc(N2CCCC2=O)cn2c(CSCCc3ccccc3)cnc12 ZINC000040939431 FI Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N[C@@H]1c1ccccc1 ZINC000040943510 FI Annotated Anodyne COc1cc(OC)c2c(=O)c3cc(N)c(Cl)cc3n(CCC(C)C)c2c1 ZINC000040949659 FI Annotated Bother Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1cccnc1 ZINC000040949971 FI Annotated Anodyne Cc1cccc(C)c1[C@H]1SCC(=O)N1c1cc(Br)ccn1 ZINC000040950969 FI Annotated Anodyne Cc1cccc(C)c1[C@@H]1SCC(=O)N1c1cc(Br)ccn1 ZINC000040950972 FI Annotated Anodyne CCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1 ZINC000040951803 FI Annotated Anodyne CC[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21 ZINC000040952117 FI Annotated Mild CSc1ccc(Cc2nnc3sc(Cc4ccccc4)nn23)cc1 ZINC000040952469 FI Annotated Anodyne CCCCCC[C@H](C)C(=O)/C=C1\C(C(=O)OC)=C2C=COC(C)=C2[C@]1(C)O ZINC000040953363 FI Annotated Mild OC[C@H](Oc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1F ZINC000040953698 FI Annotated Anodyne O=C(c1ccccc1)c1nc2sc3c(c2c2n[nH]c(=S)n12)CCCC3 ZINC000040954263 FI Annotated Anodyne CC(C)CN(C)c1cc(CCc2ccccc2)nc(N(C)CC(C)C)n1 ZINC000040954385 FI Annotated Anodyne Cc1cccc(CNc2cc(-n3ccccc3=O)cn3c(C)c(C)nc23)c1 ZINC000040954727 FI Annotated Anodyne Cc1cccc(C)c1CNc1cc(-n2ccc(=O)cc2)cn2c(C)c(C)nc12 ZINC000040955005 FI Annotated Anodyne Cc1ccccc1CNc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 ZINC000040955007 FI Annotated Anodyne CN1C[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@H]2CCCC[C@@H]21 ZINC000040956623 FI Annotated Anodyne CN1C[C@@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)O[C@H]2CCCC[C@@H]21 ZINC000040956626 FI Annotated Anodyne O=C(c1c(OCC2CCCCC2)oc(=O)c2ccccc12)C(F)(F)F ZINC000040956893 FI Annotated Anodyne C=CCSS/C=C/C[S@](=O)CCCOCc1ccc(OC)cc1 ZINC000040957704 FI Annotated Reactive C=CCSS/C=C/C[S@@](=O)CCCOCc1ccc(OC)cc1 ZINC000040957707 FI Annotated Reactive C=CCSS/C=C\C[S@](=O)CCCOCc1ccc(OC)cc1 ZINC000040972405 FI Annotated Reactive C=CCSS/C=C\C[S@@](=O)CCCOCc1ccc(OC)cc1 ZINC000040972407 FI Annotated Reactive Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C)cn1 ZINC000040972579 FI Annotated Anodyne COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCC[C@](C)(O4)O1 ZINC000040972696 FI Annotated Bother in-vitro Cc1c(-c2cc(-c3c(F)cccc3Cl)no2)cnn1C1CCNCC1 ZINC000040972761 FI Annotated Anodyne Cc1nc2c(N[C@@H]3CCc4ccccc43)cc(-n3ccccc3=O)cn2c1C ZINC000040972946 FI Annotated Anodyne Cc1nc2c(N[C@H]3CCc4ccccc43)cc(-n3ccccc3=O)cn2c1C ZINC000040972948 FI Annotated Anodyne CCc1cccc(C)c1CNc1cc(-c2ncnn2C)cn2c(C)c(C)nc12 ZINC000040973495 FI Annotated Anodyne Nc1nccc(/C=C/c2c(-c3ccccc3)ncn2Cc2ccccc2)n1 ZINC000040974019 FI Annotated Anodyne CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F ZINC000040974888 FI Annotated Anodyne C=CCC[C@@]1(S(=O)(=O)c2ccccc2)C(=O)O[C@H](CCC)[C@H]1CC=C ZINC000040976035 FI Annotated Mild Cc1cccc(C)c1CNc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 ZINC000040976146 FI Annotated Anodyne CCOC(=O)c1c(OC2CC(C)(C)CC(C)(C)C2)c(CC)c(C)[nH]c1=O ZINC000040976411 FI Annotated Anodyne Cc1cn2cc(-n3ccccc3=O)cc(NCc3c(C)cccc3C)c2n1 ZINC000040976853 FI Annotated Anodyne Cc1cc(Cl)nc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000040979345 FI Annotated Anodyne Cc1cc(Cl)nc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000040979347 FI Annotated Anodyne CCCCCC[C@H](CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040979430 FI Annotated Anodyne CCN(CC)CC(=O)N1CC(C)(C)Oc2c(C)c(C)c(Cl)c(C)c21 ZINC000040980088 FI Annotated Anodyne O=c1ccc(Cc2cc(Cc3cccc(Cl)c3)c3occc3c2)n[nH]1 ZINC000040980145 FI Annotated Anodyne COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)C(=O)CCC2(C)C)OO1 ZINC000042805220 FI Annotated Reactive C[C@]1(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC2(CCCCC2)OO1 ZINC000042852535 FI Annotated Reactive C[C@@]1(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC2(CCCCC2)OO1 ZINC000042852537 FI Annotated Reactive N#Cc1c(N)nc(Sc2cccc(Cl)c2)c(C#N)c1-c1ccco1 ZINC000042887362 FI Annotated Mild CC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 ZINC000042887698 FI Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@H]1Cl ZINC000042888080 FI Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@H]1Cl ZINC000042888083 FI Annotated Reactive O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@@H]1Cl ZINC000042888086 FI Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@@H]1Cl ZINC000042888090 FI Annotated Reactive CC1(C)OC(=O)C2=C1Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCO3 ZINC000042889049 FI Annotated Anodyne CC1(C)OC(=O)C2=C1Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 ZINC000042889052 FI Annotated Anodyne COc1cc2oc(=O)cc(-c3ccc4occc4c3)c2c(OC)c1OC ZINC000042889795 FI Annotated Anodyne CCCC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc3c2c1O[C@H](C)C3 ZINC000042890403 FI Annotated Anodyne CCCC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc3c2c1O[C@@H](C)C3 ZINC000042890408 FI Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000042891937 FI Annotated Anodyne Nc1c(C(=O)c2ccccc2Cl)cc[n+]([O-])c1-c1ccccc1Cl ZINC000042919951 FI Annotated Anodyne CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1 ZINC000042963074 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2=CCCC2)c1 ZINC000042964482 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O ZINC000042964856 FI Annotated Anodyne CCCCCCCCNC(=N)N/C(N)=N\c1ccc(Cl)c(Cl)c1 ZINC000042966722 FI Annotated Mild CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccncc3)cc1N2 ZINC000042988828 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O ZINC000043009053 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000043010161 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000043010164 FI Annotated Anodyne CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C ZINC000043010345 FI Annotated Anodyne Cc1cc(Cl)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] ZINC000043010495 FI Annotated Anodyne CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 ZINC000043010917 FI Annotated Anodyne CC(C)c1ccccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] ZINC000043011837 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CC[C@H]2C=CCC2)c(=O)[nH]c1=O ZINC000043012502 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CC[C@@H]2C=CCC2)c(=O)[nH]c1=O ZINC000043012505 FI Annotated Anodyne Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1 ZINC000043015280 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCC2CC=CC2)c(=O)[nH]c1=O ZINC000043016229 FI Annotated Anodyne CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000043018085 FI Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C2CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000043018636 FI Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000043018638 FI Annotated Anodyne COc1ccc2c(CN3CCC(C#N)CC3)cc3cc4c(cc3c2c1)OCO4 ZINC000043019048 FI Annotated Mild CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2)c1 ZINC000043019464 FI Annotated Anodyne NC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3O)n2)cc1 ZINC000043020255 FI Annotated Anodyne COc1ccc2oc(CSC(=S)N(C(C)C)C(C)C)cc(=O)c2c1 ZINC000043020794 FI Annotated Anodyne CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3cc(O)c(O)cc3oc21 ZINC000043021437 FI Annotated Clean [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(Oc3ccccc3)ccc21 ZINC000043022744 FI Annotated Anodyne O=C(NCc1ccccc1F)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 ZINC000043022825 FI Annotated Clean COc1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 ZINC000043023299 FI Annotated Anodyne Cc1ccc(C(=O)CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000043023497 FI Annotated Bother CCc1c(Oc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O ZINC000043023696 FI Annotated Anodyne CC1=CC2=NC[C@H](C(=O)c3ccc(OCc4ccccc4)cc3)CN2C=C1 ZINC000043024095 FI Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(OCc4ccccc4)cc3)CN2C=C1 ZINC000043024098 FI Annotated Anodyne O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12 ZINC000043024941 FI Annotated Anodyne CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 ZINC000043025746 FI Annotated Anodyne Nc1ccccc1-c1nnc(C(=O)Nc2ccc3oc4c(c3c2)CCCC4)o1 ZINC000043059877 FI Annotated Anodyne aggregator O=c1c(Cl)c(CSC(=S)N2CCCCC2)oc2ccccc12 ZINC000043062854 FI Annotated Anodyne CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccncc2)c1 ZINC000043064742 FI Annotated Anodyne CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O ZINC000043065477 FI Annotated Anodyne O=C(C(=O)N1CCc2cc(Cl)ccc21)c1c[nH]c2ccc(Cl)cc12 ZINC000043066567 FI Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccco1 ZINC000043067788 FI Annotated Anodyne Cc1cc(C)c(-c2nnc(NC(=O)c3ccc4c(c3)CCO4)s2)c(C)c1 ZINC000043069861 FI Annotated Anodyne COc1ccccc1/C=N/c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043070534 FI Annotated Mild Cc1cccc(SC[C@@H](C)CN[C@@H]2COc3ccccc3SC2)c1N ZINC000043071389 FI Annotated Anodyne Cc1cc2c(c(=O)[nH]1)-c1[nH]c3ccccc3c1CCN2CCc1ccccc1 ZINC000043072330 FI Annotated Anodyne O=C(N1CC[C@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000043074239 FI Annotated Anodyne Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 ZINC000043075913 FI Annotated Mild in-vivo COc1ccc([C@@](c2ccccc2)(c2cccc(OC)c2)n2cncn2)cc1 ZINC000043076118 FI Annotated Anodyne COc1ccc([C@](c2ccccc2)(c2cccc(OC)c2)n2cncn2)cc1 ZINC000043076121 FI Annotated Anodyne COc1cc2nc3c(cc2c(CN(C)C)c1O)CSc1ccccc1-3 ZINC000043076309 FI Annotated Clean COc1ccc(-c2nnc(CCC(=O)c3ccc(C)cc3C)o2)cc1OC ZINC000043077793 FI Annotated Anodyne COc1ccc(-c2nccn2C(=O)c2ccccc2Br)cc1 ZINC000043078064 FI Annotated Anodyne CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C ZINC000043078108 FI Annotated Anodyne COc1ccc(C[C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000043078673 FI Annotated Anodyne C1=N/c2ncccc2OCCCOc2cccnc2/N=C/c2ccccc2/1 ZINC000043079107 FI Annotated Anodyne Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1 ZINC000043079594 FI Annotated Anodyne Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1 ZINC000043079597 FI Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O ZINC000043120519 FI Annotated Anodyne Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)cn2-c2ccc(F)cc2)n1 ZINC000043121844 FI Annotated Anodyne CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1 ZINC000043122554 FI Annotated Anodyne O=C1C[C@@H]2c3ccccc3O[C@H]3c4ccc(O)cc4-c4c(O)cc(O)c1c4[C@H]23 ZINC000043123273 FI Annotated Anodyne CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)C1 ZINC000043128351 FI Annotated Anodyne C=C(c1ccc(C)cc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000043130468 FI Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000043130470 FI Annotated Reactive FC(F)(F)CNc1nc(Nc2ccc3ncccc3c2)nc2[nH]ccc12 ZINC000043154988 FI Annotated Anodyne C[C@@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043176052 FI Annotated Anodyne C[C@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043176054 FI Annotated Anodyne CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1 ZINC000043194409 FI Annotated Anodyne fda Oc1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)nn12 ZINC000043195973 FI Annotated Anodyne O=C(O)[C@]12C[C@H]1CN([C@H]1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 ZINC000043202659 FI Annotated Anodyne O=C(O)[C@]12C[C@H]1CN([C@@H]1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2 ZINC000043202661 FI Annotated Anodyne CCc1cc(-c2cnnc3cc(OC)c(OC)cc23)cnc1NC(C)C ZINC000043203430 FI Annotated Anodyne C=Cc1cc(-c2cnnc3cc(OC)c(OC)cc23)cnc1NC(C)C ZINC000043203432 FI Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 ZINC000043204902 FI Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 ZINC000043204903 FI Annotated Anodyne Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCC1 ZINC000043204911 FI Annotated Anodyne CC1=C(C)C(=O)C([C@H](CCCCCC(N)=O)c2ccccc2)=C(C)C1=O ZINC000043242467 FI Annotated Mild CCCCCCCCc1noc(/C(=N/O)SCCN(CC)CC)n1 ZINC000043260126 FI Annotated Mild CCCCCCCN1CCC(O)([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000043397037 FI Annotated Mild CCCCCCCN1CCC(O)([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000043397038 FI Annotated Mild CCCCCCCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H](CC)C(N)=O ZINC000043411661 FI Annotated Mild CCCCCCCCN(C(=O)Cc1ccc(Cl)cc1)[C@H](CC)C(N)=O ZINC000043411663 FI Annotated Mild CC1(C)COC2(CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)OC1 ZINC000043470166 FI Annotated Reactive CC1(C)COC2(CCC3(CC2)OOC2(O3)C3CCCC2CCC3)OC1 ZINC000043470301 FI Annotated Reactive CCCCCCCCN(CCCCCCCC)[C@@H]1C=C[C@H](O)[C@H](O)[C@@H]1O ZINC000043481920 FI Annotated Mild C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(O)CC2)OO1 ZINC000043490696 FI Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(O)CC2)OO1 ZINC000043490699 FI Annotated Reactive C=C(c1ccccc1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 ZINC000043491113 FI Annotated Reactive C=C(c1ccccc1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 ZINC000043491115 FI Annotated Reactive C=C(c1ccccc1)[C@@H]1COC2(CCC(O)(c3ccccc3)CC2)OO1 ZINC000043491132 FI Annotated Reactive C=C(c1ccccc1)[C@H]1COC2(CCC(O)(c3ccccc3)CC2)OO1 ZINC000043491135 FI Annotated Reactive c1cn(CCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cn1 ZINC000043569404 FI Annotated Reactive C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)C(CO)=CC1=O ZINC000043606403 FI Annotated Mild CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000043693348 FI Annotated Reactive CCCCCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000043706625 FI Annotated Mild CCCCCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000043706627 FI Annotated Mild CC[C@@H]1C(=O)O[C@@H]1[C@@H](C)C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@H](C)CC ZINC000043763852 FI Annotated Anodyne in-vitro CN1[C@H]2CC[C@@H]1/C(=C\c1ccccc1F)C(=O)/C2=C/c1ccccc1F ZINC000043774145 FI Annotated Mild CCCCCCCCCCCc1cc2cn(COCCO)c(=O)nc2o1 ZINC000043989825 FI Annotated Mild CCCCCCC[C@H](O)NCC(C)(C)/[N+]([O-])=C/c1ccccc1OCC ZINC000044093524 FI Annotated Mild CCCCCCC[C@@H](O)NCC(C)(C)/[N+]([O-])=C/c1ccccc1OCC ZINC000044093526 FI Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@@]1(C)CC3=C(O[C@@]21C)C(=O)C=C(OC)C3=O ZINC000044361370 FI Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=CC2=C(O1)C(=O)C=C(OC)C2=O ZINC000044418130 FI Annotated Mild O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 ZINC000004539491 FI Annotated Clean O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21 ZINC000004539494 FI Annotated Clean O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21 ZINC000004539496 FI Annotated Clean CCOC(=O)c1cnc2ccc(OCC)cc2c1N(C)Cc1ccccc1 ZINC000004562968 FI Annotated Anodyne Oc1ccccc1-c1nc2sccn2c1Nc1ccc2c(c1)OCCO2 ZINC000004597534 FI Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2O)cc1 ZINC000004654274 FI Annotated Anodyne CCN(CC)C1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000004664710 FI Annotated Anodyne CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000004729610 FI Annotated Clean CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000004729611 FI Annotated Clean CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000004729612 FI Annotated Clean CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 ZINC000004729613 FI Annotated Clean COc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c(OC)c1 ZINC000004737884 FI Annotated Mild O=[N+]([O-])c1cc2c(cc1-c1nc3ccccn3c1Nc1ccccc1)OCO2 ZINC000004765242 FI Annotated Bother COC(=O)[C@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@]12C ZINC000004802162 FI Annotated Anodyne in-vitro O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004845861 FI Annotated Mild CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3OC)on2)c1C#N ZINC000004880861 FI Annotated Mild CCc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 ZINC000004886305 FI Annotated Anodyne Cc1cccc(C)c1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000004888199 FI Annotated Anodyne CCc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 ZINC000004888213 FI Annotated Anodyne CCOc1ccccc1-c1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12 ZINC000004893392 FI Annotated Clean O=C(CNCCC1=CCCCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000004895998 FI Annotated Anodyne C=CCOc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)C(=N/O)/C(=N/O)C[C@@H]12 ZINC000004897107 FI Annotated Mild in-vitro COc1ccc2cc3cc(C(=O)NCCCOC(C)C)sc3nc2c1 ZINC000004899935 FI Annotated Anodyne Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000004901827 FI Annotated Anodyne CC(C)NC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000004904920 FI Annotated Anodyne CCOc1ccccc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1 ZINC000004920965 FI Annotated Anodyne Brc1ccc(-c2nc3ncccn3c2NC2CCCCC2)o1 ZINC000004927514 FI Annotated Anodyne Cc1ccc(Nc2cnn(-c3nc4ccccc4o3)c(=O)c2Cl)cc1F ZINC000004928762 FI Annotated Anodyne CCCC1=Nc2cc(C(=O)NCCOC)ccc2Sc2ccccc21 ZINC000004929626 FI Annotated Anodyne Cc1cccc(CN2CCN(C/C(O)=N/[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)c1 ZINC000004930682 FI Annotated Mild Cc1cccc(CN2CCN(C/C(O)=N/[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)c1 ZINC000004930697 FI Annotated Mild CCn1c(=O)c2cc(C(=O)N(C)Cc3ccco3)sc2c2ccccc21 ZINC000004939259 FI Annotated Anodyne Cc1ccc2oc(=O)c3cc(C(=O)N(C)Cc4ccco4)sc3c2c1 ZINC000004939833 FI Annotated Anodyne CC[C@@H](C)/C(C)=N/NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000004965005 FI Annotated Reactive CC[C@H](C)/C(C)=N/NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000004965008 FI Annotated Reactive Cc1ccc(NC(=O)Cn2cccc2C2=N[C@H](c3ccccc3)CO2)cc1C ZINC000004970869 FI Annotated Anodyne Cc1ccc(NC(=O)Cn2cccc2C2=N[C@@H](c3ccccc3)CO2)cc1C ZINC000004970872 FI Annotated Anodyne Cc1ccccc1/N=C(\O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1 ZINC000004978921 FI Annotated Anodyne Cc1cc(N)nc2cc(CNCCc3ccccc3Br)ccc12 ZINC000045167707 FI Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c(OC)c1 ZINC000045168230 FI Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Br ZINC000045188316 FI Annotated Anodyne CN(C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000045189298 FI Annotated Bother Cc1[nH]c(C)c(-c2ccc(-c3ccccc3)nc2)c(=O)c1Br ZINC000045191366 FI Annotated Anodyne Cc1cc2cc(CNCCc3ccccc3Br)ccc2nc1N ZINC000045191508 FI Annotated Anodyne CCCN(c1ccc(O)c(CN2CCCCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000045193590 FI Annotated Clean COc1ccccc1N(C)CCNc1cc(C)nc(Nc2ccccc2)n1 ZINC000045194231 FI Annotated Anodyne Cc1cc(NCCc2ccccc2)nc(NC(=N)Nc2cccc(F)c2)n1 ZINC000045194401 FI Annotated Anodyne N[C@@H](CCNCc1ccc(-c2cccnc2)cc1)Cc1ccc(F)c(F)c1 ZINC000045194714 FI Annotated Anodyne CNCCNCc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 ZINC000045195889 FI Annotated Anodyne CCOc1ccc2nc(C)cc(N/N=C/c3ccccc3[N+](=O)[O-])c2c1 ZINC000045201089 FI Annotated Mild N#Cc1ccc(C(=O)Nc2cc(-c3cccc(O)c3)cc3[nH]ncc23)cc1 ZINC000045201154 FI Annotated Mild CCCCOc1cc2[nH]cc(C(=O)OCC)c(=O)c2cc1OCCCC ZINC000045201507 FI Annotated Anodyne CCCN(CC(=O)NCCc1ccccc1)c1ccc(C#N)c2ccccc12 ZINC000045202015 FI Annotated Mild c1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)ccn1 ZINC000045202087 FI Annotated Anodyne c1cc(CNC2CCN(CC3CCCCC3)CC2)cc(-n2ccnc2)c1 ZINC000045210359 FI Annotated Anodyne Cc1cc(N)nc2ccc(CNCCc3ccccc3Br)cc12 ZINC000045210605 FI Annotated Anodyne COc1cccc(C2=CC(C)(C)Oc3cc(OCCN(C)C)ccc32)c1 ZINC000045226665 FI Annotated Anodyne CNCCNCc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045227071 FI Annotated Anodyne c1cn(CCCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cn1 ZINC000045228216 FI Annotated Anodyne CNCCNCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045228833 FI Annotated Anodyne Cc1cc2ncn(-c3nccc(NCc4ccc(F)c(C)c4)n3)c2cc1C ZINC000045229921 FI Annotated Anodyne CCOc1ccccc1CNc1nccc(NCc2ccccc2OC)n1 ZINC000045230270 FI Annotated Anodyne C/C(=N\N/C(S)=N/C(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000045231085 FI Annotated Mild CCOC(=O)c1cc(-c2cccc(OCc3c(F)cccc3F)c2)on1 ZINC000045245055 FI Annotated Anodyne COc1ccc2c(c1)C(=O)C(c1ccc(Cl)c(C(F)(F)F)c1)=[N+]2[O-] ZINC000045245605 FI Annotated Anodyne CCCCOC(=O)c1cc(/C=C/c2ccnc3ccc(OC)cc23)on1 ZINC000045245625 FI Annotated Anodyne Cc1nonc1CN[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045245744 FI Annotated Anodyne Cc1nonc1CN[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045245745 FI Annotated Anodyne COC12CC3C[C@@H](C1)C(NCCNC/C=C(\C)CCC=C(C)C)[C@H](C3)C2 ZINC000045245814 FI Annotated Anodyne O=C1C(c2ccc(Oc3ccccc3)cc2)=[N+]([O-])c2cc3c(cc21)OCO3 ZINC000045245889 FI Annotated Anodyne CCOC(=O)c1cc(-c2cccc(OCc3cccc(F)c3F)c2)on1 ZINC000045246085 FI Annotated Anodyne CCOC(=O)c1cc(-c2cccc(OCc3ccc(F)cc3F)c2)on1 ZINC000045257051 FI Annotated Anodyne COC12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2NCCNC/C=C(\C)CCC=C(C)C ZINC000045258462 FI Annotated Anodyne CCc1nn(CCO)c(CC)c1[C@H](OC)c1cc(Cl)cc(Cl)c1 ZINC000045259989 FI Annotated Anodyne CCc1nn(CCO)c(CC)c1[C@@H](OC)c1cc(Cl)cc(Cl)c1 ZINC000045259992 FI Annotated Anodyne CCCSc1c(CO)ccc2c1sc1nc3n(c(=O)c12)CCCCC3 ZINC000045260186 FI Annotated Anodyne CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000045260361 FI Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)NC1CC1 ZINC000045260364 FI Annotated Anodyne CC(C)SC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3 ZINC000045260591 FI Annotated Reactive COCCNC(=N)CCCCCCCCCCCCC(=N)NCCOC ZINC000045261524 FI Annotated Anodyne CC(C)CCN1CCN([C@@H](CNCc2ccccc2)C(C)C)C[C@H]1C(C)C ZINC000045261847 FI Annotated Anodyne CCC(CC)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045284271 FI Annotated Mild CCC[C@@H](C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045285446 FI Annotated Mild CCC[C@H](C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045285447 FI Annotated Mild COc1cc(-c2oc3c(OC)cc(C=O)cc3c2C)cc(OC)c1OC ZINC000045285980 FI Annotated Anodyne in-vivo CCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2 ZINC000045286131 FI Annotated Anodyne O=C1C(Sc2cccc(Cl)c2Cl)=C(Cl)C(=O)c2[nH]ncc21 ZINC000045286612 FI Annotated Mild Cn1cc([C@@H](CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21 ZINC000045286757 FI Annotated Anodyne Cn1cc([C@H](CN)Oc2cncc(/C=C/c3ccncc3)c2)c2ccccc21 ZINC000045286759 FI Annotated Anodyne CCOC(=O)c1cc(-c2cccc(OCc3cc(F)ccc3F)c2)on1 ZINC000045286893 FI Annotated Anodyne COc1ccc2nc3ccccc3c(NC(=S)NCc3ccco3)c2c1 ZINC000045287013 FI Annotated Clean Cc1cccc(Cl)c1CNc1n[nH]c2c1Cc1cc3c(cc1-2)OCO3 ZINC000045287455 FI Annotated Anodyne Fc1cccc(F)c1-c1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCCS2 ZINC000045287906 FI Annotated Anodyne CC[C@@H](C)CC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045288075 FI Annotated Mild CC[C@H](C)CC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045288077 FI Annotated Mild CCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045288079 FI Annotated Mild Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1 ZINC000045288670 FI Annotated Mild Nc1nc(S[C@H](C(=O)O)c2ccccc2)nc2sc3c(c12)CCCC3 ZINC000045288992 FI Annotated Anodyne Nc1nc(S[C@@H](C(=O)O)c2ccccc2)nc2sc3c(c12)CCCC3 ZINC000045288994 FI Annotated Anodyne CN1CCC=C([C@H]2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 ZINC000045299917 FI Annotated Anodyne CN1CCC=C([C@@H]2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 ZINC000045299919 FI Annotated Anodyne COc1cc(CN2c3ccc(OC(C)=O)cc3C=CC2(C)C)cc(OC)c1 ZINC000045300473 FI Annotated Anodyne CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=S)CO2)c2ccccc2O1 ZINC000045300706 FI Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccccc3)C(=S)CO2)c2ccccc2O1 ZINC000045300708 FI Annotated Anodyne CCCC/N=C(\c1ccc(=O)n(CCCC)c1)c1ccc(OC)cc1O ZINC000045301149 FI Annotated Mild Cc1ccccc1CNc1noc(-c2sccc2Br)n1 ZINC000045301640 FI Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nsc(O)n1 ZINC000045301695 FI Annotated Anodyne COc1cc(SC)c(Br)cc1-c1nc2ccncc2[nH]1 ZINC000045301944 FI Annotated Anodyne N#Cc1ccc(C2CCN(CC[C@H](N)Cc3ccc(Cl)s3)CC2)cc1 ZINC000045302696 FI Annotated Mild c1cncc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1 ZINC000045302836 FI Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCC3)cc12 ZINC000045303046 FI Annotated Anodyne c1cc2cc(CN3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1 ZINC000045303162 FI Annotated Anodyne CCCc1cc(OC)c(C[C@@H]2c3cccc(O)c3CCN2C)cc1OC ZINC000045303247 FI Annotated Anodyne CCCc1cc(OC)c(C[C@H]2c3cccc(O)c3CCN2C)cc1OC ZINC000045303248 FI Annotated Anodyne C=CCN1CCc2c([nH]c3ccccc23)C2=C1C(=O)c1ccccc1C2=O ZINC000045316715 FI Annotated Mild Cc1cc2ccc(CNCCc3ccccc3Br)cc2nc1N ZINC000045318318 FI Annotated Anodyne COC(=O)/C=C/c1sc(Nc2cccc(C)c2)nc1-c1ccncc1 ZINC000045318854 FI Annotated Anodyne CN(C)c1cccc2c1nc(-c1ccco1)n2CCNCc1ccccc1 ZINC000045324200 FI Annotated Anodyne C=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1[C@@H](C(C)=O)O[C@@H]2OC(=O)C[C@@H]21 ZINC000045336318 FI Annotated Mild COc1ccc([C@H]2NC(=O)c3ccccc3-c3ccnc4[nH]cc2c34)cc1 ZINC000045336577 FI Annotated Anodyne COc1ccc([C@@H]2NC(=O)c3ccccc3-c3ccnc4[nH]cc2c34)cc1 ZINC000045336579 FI Annotated Anodyne Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1 ZINC000045337612 FI Annotated Anodyne CNC(=O)c1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 ZINC000045337802 FI Annotated Anodyne CNC(=O)c1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 ZINC000045337804 FI Annotated Anodyne Cc1ccc(N2C(=O)/C(=C\c3cc4ccccc4[nH]3)C(O)=NC2=S)cc1 ZINC000045338874 FI Annotated Clean Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1 ZINC000045339421 FI Annotated Anodyne COc1cccc(-c2nc(CN(C)C)nn2-c2cccc(C(C)(C)C)c2)c1 ZINC000045339889 FI Annotated Anodyne CC[C@@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1 ZINC000045340137 FI Annotated Anodyne COc1cccc(-c2nc(CN(C)C)nn2-c2ccc(C(C)(C)C)cc2)c1 ZINC000045347477 FI Annotated Anodyne CC(C)(C)c1cc2c(N/N=C/c3ccc4c(c3)CNCC4)ncnc2s1 ZINC000045347785 FI Annotated Mild CC(C)(C)c1cc2c(N/N=C/c3ccc(C(=O)O)cc3)ncnc2s1 ZINC000045347809 FI Annotated Mild N#C/C=C/c1ccc(/C=C2\NC(=O)C(c3ccccc3)=C2c2ccco2)o1 ZINC000045349050 FI Annotated Reactive O=C1CCCC2=C1[C@@H](c1ccc(F)cc1Cl)N=C(c1ncccc1F)N2 ZINC000045349067 FI Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(F)cc1Cl)N=C(c1ncccc1F)N2 ZINC000045349070 FI Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(F)cc1Cl)N=C(c1nccs1)N2 ZINC000045349467 FI Annotated Mild CC(C)(C)c1cc2c(N/N=C/c3ccc4c(c3)CNC4)ncnc2s1 ZINC000045349823 FI Annotated Mild COc1cccc(-n2nc(CN(C)C)nc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000045350096 FI Annotated Anodyne COc1ccc(-c2csc3ncn4c(=O)c5ccccc5nc4c23)cc1 ZINC000045350697 FI Annotated Bother CN1Cc2ccc(/C=N/Nc3ncnc4sc(C(C)(C)C)cc34)cc2C1 ZINC000045350909 FI Annotated Mild C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/c1ccc(OC)cc1)c1ccc(=O)[nH]c1C2 ZINC000045351015 FI Annotated Mild CSc1ccccc1C#C/C=C\C#Cc1ccccc1N1CCCC1=O ZINC000045351568 FI Annotated Mild C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/c1ccc(N(C)C)cc1)c1ccc(=O)[nH]c1C2 ZINC000045351839 FI Annotated Mild CC[C@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1 ZINC000045351911 FI Annotated Anodyne CC(C)(C)c1cc2c(N/N=C/c3ccc4c(c3)CCNC4)ncnc2s1 ZINC000045352937 FI Annotated Mild C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/c1ccc(C#N)cc1)c1ccc(=O)[nH]c1C2 ZINC000045358427 FI Annotated Mild O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 ZINC000045358811 FI Annotated Anodyne NCCCCCNc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1 ZINC000045368128 FI Annotated Anodyne O=c1c2c(O)cc(OC[C@@H]3CS3)cc2oc2ccc3ccccc3c12 ZINC000045368986 FI Annotated Bother O=c1c2c(O)cc(OC[C@H]3CS3)cc2oc2ccc3ccccc3c12 ZINC000045368992 FI Annotated Bother Cc1cccc2cc(CN[C@@H]3CCOC(C)(C)C3)c(N3CCCC3)nc12 ZINC000045369158 FI Annotated Anodyne Cc1cccc2cc(CN[C@H]3CCOC(C)(C)C3)c(N3CCCC3)nc12 ZINC000045369162 FI Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(=S)[nH]c3ccc(Cl)cc32)cc1C ZINC000045369500 FI Annotated Anodyne CCN(CC)c1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)c(O)c1 ZINC000045370362 FI Annotated Mild COC(=O)c1ccc(N2N=NN[C@H]2SC23CC4CC(CC(C4)C2)C3)cc1 ZINC000045370684 FI Annotated Anodyne COC(=O)c1ccc(N2N=NN[C@@H]2SC23CC4CC(CC(C4)C2)C3)cc1 ZINC000045370689 FI Annotated Anodyne O=C(Nc1ccccc1-n1cccn1)c1ccccc1C(=O)c1ccccc1 ZINC000045371121 FI Annotated Anodyne O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CS3)cc(O)c12 ZINC000045372003 FI Annotated Bother O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CS3)cc(O)c12 ZINC000045372007 FI Annotated Bother O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CS3)cc(O)c12 ZINC000045373223 FI Annotated Bother O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CS3)cc(O)c12 ZINC000045373227 FI Annotated Bother COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CCN=N1)C3=O ZINC000045384253 FI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CCN=N1)C3=O ZINC000045384258 FI Annotated Anodyne CN(C)c1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000045388064 FI Annotated Clean in-vivo COc1cccc(-n2nc(CN(C)C)nc2-c2cccc(C(C)(C)C)c2)c1 ZINC000045388742 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)c2ccsc2)cc1 ZINC000045389850 FI Annotated Anodyne O=C(O)/C=C/c1ccc(/C=C2\NC(=O)C(c3ccccc3)=C2c2ccco2)o1 ZINC000045390383 FI Annotated Anodyne N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(-c5ccccc5)ccc41)[C@@H]32 ZINC000045390556 FI Annotated Mild Cc1ccc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1 ZINC000045391236 FI Annotated Anodyne CSc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1 ZINC000045392907 FI Annotated Anodyne COc1cc(NC[C@](C)(O)N(CC(C)C)CC(C)C)c2nc(C)ccc2c1 ZINC000045394411 FI Annotated Anodyne CN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1 ZINC000045484769 FI Annotated Anodyne COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@@H]2c1cc(Cl)cc(Cl)c1 ZINC000045484928 FI Annotated Anodyne COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@H]2c1cc(Cl)cc(Cl)c1 ZINC000045484931 FI Annotated Anodyne CCS[C@@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000045495133 FI Annotated Mild CCS[C@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000045495136 FI Annotated Mild COc1ccccc1SCCCN[C@@H]1COc2ccccc2SC1 ZINC000045495253 FI Annotated Anodyne COc1cc([C@H](CC=C(C)C)SC(C)=O)c(OC)c2c1C(=O)C=CC2=O ZINC000045495440 FI Annotated Mild COc1cc([C@@H](CC=C(C)C)SC(C)=O)c(OC)c2c1C(=O)C=CC2=O ZINC000045495442 FI Annotated Mild COc1ccc(OC)c2c1C(=O)C=C([C@H](CC=C(C)C)SC(C)=O)C2=O ZINC000045495444 FI Annotated Mild COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)SC(C)=O)C2=O ZINC000045495446 FI Annotated Mild CCc1c(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc1C ZINC000045496103 FI Annotated Anodyne CCc1c(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc1C ZINC000045496105 FI Annotated Anodyne COc1cc2cc(C=O)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000045498020 FI Annotated Bother CCCC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc([C@@H](O)CC)c2c1O ZINC000045498241 FI Annotated Anodyne COc1cc2oc(=O)cc(-c3cnc4ccccc4c3)c2c(OC)c1OC ZINC000045505793 FI Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4ccc(F)cc4)nn23)cc1 ZINC000045506096 FI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccccc3[nH]2)cc1Cl ZINC000046760990 FI Annotated Anodyne Cc1cc2c(c3oc(CCCCl)cc13)C(=O)c1c(O)cccc1C2=O ZINC000473081262 FI Annotated Reactive O=c1c2c3c(sc2ncn1Cc1ccc(Br)cc1)CCC=C3 ZINC000473081275 FI Annotated Anodyne Cc1cc2c(c3oc([C@@H](C)O)cc13)C(=O)c1c(OC(C)C)cccc1C2=O ZINC000473082073 FI Annotated Clean Cc1cc2c(c3oc([C@H](C)O)cc13)C(=O)c1c(OC(C)C)cccc1C2=O ZINC000473082076 FI Annotated Clean O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOc1ccc(-c3ccccc3)cc1)CC2 ZINC000473084079 FI Annotated Bother O=C(O)c1cc2sc(=Nc3ccc(Cl)cc3Cl)[nH]c2cc1O ZINC000473084954 FI Annotated Anodyne O=C1c2ccc(C(F)(F)F)cc2O[C@@H]2c3[nH]c4ccccc4c3CCN12 ZINC000473087343 FI Annotated Anodyne O=C1c2ccc(C(F)(F)F)cc2O[C@H]2c3[nH]c4ccccc4c3CCN12 ZINC000473087344 FI Annotated Anodyne CN=c1nc(NC2CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473087661 FI Annotated Anodyne CCc1ccnc(-c2nccn2Cc2nnc(-c3ccccc3Cl)o2)c1 ZINC000473087931 FI Annotated Anodyne Cc1ccc(S[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 ZINC000473088690 FI Annotated Mild Cc1ccc(S[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 ZINC000473088694 FI Annotated Mild CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000473088716 FI Annotated Anodyne Cc1cccc(S[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1 ZINC000473089750 FI Annotated Mild Cc1cccc(S[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1 ZINC000473089751 FI Annotated Mild CSc1cccc(N=c2[nH]c(CC(=O)Nc3ccccc3)cs2)c1 ZINC000473090582 FI Annotated Anodyne Fc1cc(Br)cc([C@H]2C[C@@H](c3ccccc3)N3NN=NC3=N2)c1 ZINC000473091484 FI Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Sc1ccc(F)cc1 ZINC000473093985 FI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Sc1ccc(F)cc1 ZINC000473093986 FI Annotated Mild COc1ccc(S[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 ZINC000473095031 FI Annotated Mild COc1ccc(S[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 ZINC000473095038 FI Annotated Mild CCCCN1C(=O)/C(=C/NCc2ccc(F)cc2)C(=O)c2cccc(C)c21 ZINC000473096816 FI Annotated Mild Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O ZINC000473101542 FI Annotated Anodyne CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1F ZINC000473101558 FI Annotated Anodyne CCOc1nn(-c2ncc(C3CC3)cc2C#N)c(C)c1Cc1ccccc1 ZINC000473102896 FI Annotated Mild CCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1cccs1 ZINC000473105289 FI Annotated Anodyne CCCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cccc(OC)c21 ZINC000473107449 FI Annotated Mild CCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cccc(CC)c21 ZINC000473108281 FI Annotated Mild CCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cccc(Cl)c21 ZINC000473109203 FI Annotated Mild CCCCN1C(=O)/C(=C/Nc2ccc(F)cc2)C(=O)c2cccc(C)c21 ZINC000473110366 FI Annotated Mild COc1ccc2c(c1)CCCN2c1nc(=NC2CCCC2)[nH]c2ccccc12 ZINC000473110490 FI Annotated Anodyne N#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1ccccc1[N+](=O)[O-] ZINC000473111460 FI Annotated Mild O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccccc2Cl)CCC1 ZINC000473112275 FI Annotated Anodyne CC(C)CCn1ccnc1/C=C/C(=O)/C=C/c1nccn1CCC(C)C ZINC000473112745 FI Annotated Mild O=C(Nc1cc(Cl)c(O)cc1O)C1(c2c(F)cccc2F)CCC1 ZINC000473112815 FI Annotated Anodyne Cc1ccc(C(C)C)c(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1 ZINC000473113541 FI Annotated Anodyne COc1cc(C=O)ccc1OCCCOc1ccc(-n2cccc2)cc1 ZINC000473113542 FI Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CSC4CCCCC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473113680 FI Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccccc4F)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473113702 FI Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccc(F)cc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473115026 FI Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccccc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473115898 FI Annotated Mild O=c1cc(COc2ccccc2)[nH]cc1Oc1cccc([N+](=O)[O-])c1Cl ZINC000473117854 FI Annotated Bother O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cccc(Cl)c2)CCC1 ZINC000473119846 FI Annotated Anodyne CCCCCn1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473120616 FI Annotated Mild CC(C)CCn1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473122385 FI Annotated Mild CC(C)=CCn1ccnc1/C=C/C(=O)/C=C/c1nccn1CC=C(C)C ZINC000473124775 FI Annotated Mild O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc(Cl)cc2)CCC1 ZINC000473125880 FI Annotated Anodyne N#C/C(=N\Nc1cccc(Cl)c1)C(=O)c1cc(-c2ccccc2)on1 ZINC000473126172 FI Annotated Mild COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1cccnc1)C2 ZINC000473129049 FI Annotated Anodyne C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)[C@@H](COCC)C3=O ZINC000473129128 FI Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)[C@H](COCC)C3=O ZINC000473129133 FI Annotated Mild CSc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)cc1 ZINC000473129467 FI Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)[C@@H](COC)C3=O ZINC000473130583 FI Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)[C@H](COC)C3=O ZINC000473130586 FI Annotated Mild COc1cc(-c2cccc(C)c2)cc2c1OCCN(Cc1cccnc1)C2 ZINC000473132412 FI Annotated Anodyne COc1cc(-c2ccsc2)cc2c1OCCN(Cc1cccnc1)C2 ZINC000473132690 FI Annotated Anodyne COc1cc(-c2ccc(C)cc2)cc2c1OCCN(Cc1cccnc1)C2 ZINC000473133386 FI Annotated Anodyne CCn1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4n3C(C)C)C2)cn1 ZINC000473134040 FI Annotated Anodyne CCn1cc(C(=O)N2CCC[C@H](c3cc4ccccc4n3C(C)C)C2)cn1 ZINC000473134041 FI Annotated Anodyne CCOc1cc(C=O)ccc1OCCOc1ccc(-n2cccc2)cc1 ZINC000473135394 FI Annotated Anodyne CCOc1ccc(-c2[nH]c(=Nc3ccc(Cl)cn3)sc2Cl)nc1 ZINC000473135507 FI Annotated Anodyne N#Cc1c(-c2ccc(O)cc2)c2c([nH]c1=N)/C(=C/c1ccc(O)cc1)CCC2 ZINC000473135766 FI Annotated Mild COc1ccnc(-c2[nH]c(=Nc3ccc(Cl)cn3)sc2Cl)c1 ZINC000473135946 FI Annotated Anodyne COc1ccc(-c2[nH]c(=Nc3ccc(Cl)cn3)sc2Cl)nc1 ZINC000473136726 FI Annotated Anodyne COc1ccc(CN=c2nc3c(c[nH]2)CSc2cc(Cl)ccc2-3)cc1 ZINC000473144990 FI Annotated Anodyne COc1ccc2c(c1)SCc1c[nH]c(=NCc3ccc(Cl)cc3)nc1-2 ZINC000473145367 FI Annotated Anodyne COc1cccc(-c2nc(O)c3cc(N4CCCCC4)ccc3n2)c1OC ZINC000473146075 FI Annotated Anodyne C/C(=N\N=C1\S[C@H](C(C)C)C(=O)N1C)c1ccc(Cl)c(Cl)c1 ZINC000473150204 FI Annotated Mild C/C(=N\N=C1\S[C@@H](C(C)C)C(=O)N1C)c1ccc(Cl)c(Cl)c1 ZINC000473150205 FI Annotated Mild Cc1cc(NCc2ccccn2)n2ncc(C3=CCC(F)(F)CC3)c2n1 ZINC000473152842 FI Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3cc(F)c(F)c(F)c3)c2n1 ZINC000473153247 FI Annotated Anodyne CC1=N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153345 FI Annotated Anodyne CC1=N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153346 FI Annotated Anodyne CC(C)(C)[Si](C)(C)ONC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000473153588 FI Annotated Reactive Oc1ccc(C2=COc3cc(O)c(CNCCc4ccccc4)cc3C2)cc1 ZINC000473154217 FI Annotated Clean Oc1ccc(C2=COc3cc(O)c(CNCc4ccccc4)cc3C2)cc1 ZINC000473154619 FI Annotated Clean O=C(Nc1ccc(Cl)cc1)c1c(NO)cc(-c2cccs2)oc1=O ZINC000473155996 FI Annotated Anodyne CCOC(=O)c1cc(NCc2ccncn2)c(NC2CCCCC2)cc1F ZINC000473158378 FI Annotated Anodyne CN(Cc1ccccc1)C(=O)C[C@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000473159633 FI Annotated Anodyne CN(Cc1ccccc1)C(=O)C[C@@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000473159644 FI Annotated Anodyne Cc1cc(NCCCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473160544 FI Annotated Anodyne O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1cccnc1 ZINC000473165205 FI Annotated Anodyne COc1ccc(OC)c2cc3c(cc12)C(=O)C[C@H]1[C@@](C)(CO)CCC[C@]31C ZINC000473165429 FI Annotated Anodyne [C-]#[N+]c1cn(-c2ccc(C(=O)O)c(O)c2)c2sc(Br)cc12 ZINC000473179534 FI Annotated Anodyne [C-]#[N+]C1=C(C(F)F)Nc2onc(C)c2[C@H]1c1cc2c(C)[nH]nc2cc1F ZINC000473182966 FI Annotated Reactive [C-]#[N+]C1=C(C(F)F)Nc2onc(C)c2[C@@H]1c1cc2c(C)[nH]nc2cc1F ZINC000473182968 FI Annotated Reactive CO[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 ZINC000473183111 FI Annotated Anodyne CO[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 ZINC000473183113 FI Annotated Anodyne CC1(C)[C@H]2Cc3ccccc3[C@@]1(C)CCN2C(=O)[C@H]1CC[C@@](C)(O)CC1 ZINC000473215183 FI Annotated Anodyne CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473233269 FI Annotated Anodyne CO[C@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473233271 FI Annotated Anodyne CO[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473233273 FI Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000473233301 FI Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000473233303 FI Annotated Anodyne N#Cc1ccc(Nc2nccc(=NCc3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000473247522 FI Annotated Mild COc1cc([C@H]2C(C(C)=O)=C(C)N=C3Sc4ccccc4N32)ccc1O ZINC000473247718 FI Annotated Mild COc1cc([C@@H]2C(C(C)=O)=C(C)N=C3Sc4ccccc4N32)ccc1O ZINC000473247719 FI Annotated Mild N#Cc1ccc(Nc2nccc(=NCc3ccccc3C(F)(F)F)[nH]2)cc1 ZINC000473248335 FI Annotated Mild N#Cc1ccc(Nc2nccc(=NCc3ccc(C(F)(F)F)cc3)[nH]2)cc1 ZINC000473248976 FI Annotated Mild Fc1cc(Br)cc([C@@H]2C[C@@H](c3ccccc3)N3NN=NC3=N2)c1 ZINC000473249901 FI Annotated Anodyne Fc1cc(Br)cc([C@H]2C[C@H](c3ccccc3)N3NN=NC3=N2)c1 ZINC000473249902 FI Annotated Anodyne CCOC(=O)N1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)c2ccccc21 ZINC000474604748 FI Annotated Clean Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)C)c3ccccc23)c(O)n1 ZINC000474604828 FI Annotated Anodyne CCn1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)c1 ZINC000474607023 FI Annotated Anodyne CC(C)[C@@H](C)c1cc2c(N/N=C/c3nc([C@H](C)N)cs3)ncnc2s1 ZINC000474608466 FI Annotated Mild CC(C)[C@H](C)c1cc2c(N/N=C/c3nc([C@H](C)N)cs3)ncnc2s1 ZINC000474608467 FI Annotated Mild CC(C)[C@@H](C)c1cc2c(N/N=C/c3nc([C@@H](C)N)cs3)ncnc2s1 ZINC000474608468 FI Annotated Mild CC(C)[C@H](C)c1cc2c(N/N=C/c3nc([C@@H](C)N)cs3)ncnc2s1 ZINC000474608469 FI Annotated Mild Cc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1 ZINC000474609001 FI Annotated Anodyne CCOc1nn(-c2ccc(Br)cn2)c(C)c1Cc1ccccc1 ZINC000474609307 FI Annotated Anodyne CCCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2ccc(OC)cc21 ZINC000474609679 FI Annotated Mild COc1ccc2cc(/C=N\Nc3nc4ccccc4[nH]3)c(Cl)nc2c1 ZINC000048308916 FI Annotated Mild Cc1ccc(C(=O)c2nc(NCc3ccccn3)nc3ccsc23)s1 ZINC000049014019 FI Annotated Anodyne Nc1nccc(-c2ccc3nc([C@@H]4COc5ccccc5C4)sc3c2)n1 ZINC000049032563 FI Annotated Anodyne Nc1nccc(-c2ccc3nc([C@H]4COc5ccccc5C4)sc3c2)n1 ZINC000049032565 FI Annotated Anodyne Cc1nc(Nc2ccc(CCNc3ncnc4ccsc34)cc2)[nH]c1C ZINC000049033813 FI Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036688 FI Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036690 FI Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036692 FI Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036694 FI Annotated Reactive N#Cc1nc(CCCN2CCCCC2)cc(-c2cccc(C(F)(F)F)c2)n1 ZINC000049047453 FI Annotated Mild CC(C)(C)NCCCc1cc(-c2cccc(C(F)(F)F)c2)nc(C#N)n1 ZINC000049047458 FI Annotated Mild Cc1c(-c2ccnc(N)n2)sc2ccc([C@H](N)c3cccc(O)c3)cc12 ZINC000049047843 FI Annotated Anodyne Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H](N)c3cccc(O)c3)cc12 ZINC000049047847 FI Annotated Anodyne CCO[P@]1(=O)OC(C2CC2)=C(Br)c2ccc(OC)cc21 ZINC000049048615 FI Annotated Anodyne CCO[P@@]1(=O)OC(C2CC2)=C(Br)c2ccc(OC)cc21 ZINC000049048618 FI Annotated Anodyne CCOC(=O)c1ccc2c(c1)c1c(c(-c3ccc(Cl)cc3)[n+]2C)CCO1 ZINC000049048930 FI Annotated Anodyne O=C(OCc1ccccc1)c1coc(-c2cccc(Br)c2)n1 ZINC000049049317 FI Annotated Anodyne CC(=O)N(C(=O)CC1CCNCC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000049049700 FI Annotated Anodyne C[C@H]1Cc2c([nH]c3cc(Cl)ccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000049050692 FI Annotated Anodyne O=C(NC[C@@H]1CCN2CCC[C@@H]1C2)c1ccccc1-c1cccc(Cl)c1 ZINC000049052655 FI Annotated Anodyne O=C(NC[C@H]1CCN2CCC[C@@H]1C2)c1ccccc1-c1cccc(Cl)c1 ZINC000049052658 FI Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc(Cl)cc1 ZINC000049054280 FI Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc(Cl)cc1 ZINC000049054283 FI Annotated Anodyne C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(OC(=O)/C(C)=C\C)c(OC)c1 ZINC000049054346 FI Annotated Anodyne FC(F)(F)Oc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055417 FI Annotated Anodyne FC(F)(F)Oc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055420 FI Annotated Anodyne FC(F)(F)Oc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055423 FI Annotated Anodyne FC(F)(F)Oc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055425 FI Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O ZINC000049055589 FI Annotated Anodyne Cc1oc(-c2ccc(F)cc2[N+](=O)[O-])nc1C(=O)OCc1ccccc1 ZINC000049067020 FI Annotated Bother O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccsc2c1=O ZINC000049068066 FI Annotated Anodyne O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2sccc2c1=O ZINC000049068068 FI Annotated Anodyne O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc(O)c1O ZINC000049068229 FI Annotated Clean CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1 ZINC000049068353 FI Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1 ZINC000049068355 FI Annotated Anodyne CC(C)(C)c1ccc(OC[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)cc1 ZINC000049068718 FI Annotated Mild N#Cc1ccc(Nc2nccc(/C(=N\O)c3cccc4ccccc34)n2)cc1 ZINC000049069355 FI Annotated Mild CCc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCCCC3)o1 ZINC000049069532 FI Annotated Anodyne N#Cc1ccc(Nc2nccc(/C(=N\O)c3ccc4ccccc4c3)n2)cc1 ZINC000049069716 FI Annotated Mild NC(=O)c1sc2nc3c(c(/C=C/c4ccco4)c2c1N)CCCCCC3 ZINC000049071434 FI Annotated Anodyne CN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)c(Cl)cnc3[nH]2)cc1 ZINC000049072633 FI Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl ZINC000049073260 FI Annotated Anodyne C=CCNc1ccc2nc(SCC=C)n(Cc3ccccc3)c(=O)c2c1 ZINC000049073415 FI Annotated Mild CC(C)c1csc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)n1 ZINC000049087513 FI Annotated Bother CC(C)c1csc(-c2nnc(S)n2/N=C/c2ccccc2Cl)n1 ZINC000049089916 FI Annotated Mild c1ccc(-c2ccc(NCCCCCN3Cc4ccccc4CN3)nn2)cc1 ZINC000049089991 FI Annotated Anodyne COc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1 ZINC000049109340 FI Annotated Anodyne O=S(=O)(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 ZINC000049110319 FI Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(C)=O ZINC000049110861 FI Annotated Mild CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc(OC)c2c1=O ZINC000049111164 FI Annotated Anodyne C[C@@H]1CCCN1CCc1ccc2nc(-c3cn4c(n3)SCC4)ccc2c1 ZINC000049112382 FI Annotated Anodyne C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccccc4c3cc12 ZINC000049112983 FI Annotated Anodyne in-vitro CC1=NN(c2c3ccccc3nc3ccc(Br)cc23)C(=O)C1 ZINC000049112997 FI Annotated Clean CCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 ZINC000049113044 FI Annotated Anodyne CC(C)c1csc(-c2nnc(S)n2/N=C/C=C/c2ccccc2)n1 ZINC000049113070 FI Annotated Mild CC(C)(C)c1ccc(OC[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)cc1 ZINC000049113098 FI Annotated Mild OCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1Cl ZINC000049113103 FI Annotated Anodyne CNC(=S)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049113274 FI Annotated Anodyne CNC(=S)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049113275 FI Annotated Anodyne CC(=O)N1CCC[C@@]1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000049114356 FI Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000049114359 FI Annotated Anodyne O=C1NCCN1C(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049114362 FI Annotated Anodyne O=C1NCCN1C(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049114365 FI Annotated Anodyne COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/[C@]2(C)OC(=O)C(C)=C2CC1 ZINC000049114856 FI Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c(OC)c1OC ZINC000049115750 FI Annotated Anodyne O=C1/C(=C/c2c(-c3ccccn3)[nH]c3ccccc23)Oc2cc(O)cc(O)c21 ZINC000049116156 FI Annotated Mild CC(C)=CCC(=O)[C@@H](C)CCc1cc(C(=O)O)cc(C/C=C(\C)CO)c1O ZINC000049181012 FI Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O ZINC000049286831 FI Annotated Anodyne in-vivo c1ccc2sc(NCCc3ccc(/N=C4\NCCS4)cc3)nc2c1 ZINC000049419316 FI Annotated Mild C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(Oc4ccccc4)cc3)[C@@H]21 ZINC000049552073 FI Annotated Anodyne C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(Oc4ccccc4)cc3)[C@H]21 ZINC000049552074 FI Annotated Anodyne CNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N ZINC000049583072 FI Annotated Mild CCCCCCCCc1c(C)[nH]c(C)c(I)c1=O ZINC000049605498 FI Annotated Mild COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@H]1c1sccc1C ZINC000049669368 FI Annotated Anodyne COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@@H]1c1sccc1C ZINC000049669369 FI Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(-n3cccc3)cc2)CC2(CCCCC2)OO1 ZINC000049710156 FI Annotated Reactive C[C@@]1(CC(=O)NCc2ccc(-n3cccc3)cc2)CC2(CCCCC2)OO1 ZINC000049710160 FI Annotated Reactive C[C@]1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1 ZINC000049723086 FI Annotated Reactive C[C@@]1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1 ZINC000049723087 FI Annotated Reactive CN(C(=O)c1ccc(N(CCCl)CCCl)cc1)c1ccccc1 ZINC000049746857 FI Annotated Reactive Fc1c(F)c(F)c(-c2n[nH]c3c(F)c(F)c(F)c(F)c23)c(F)c1F ZINC000049757363 FI Annotated Mild in-vivo C=CCNC(=O)c1ccc2c(c1)N=C(c1ccc(F)cc1)N(CCCC)C2 ZINC000049762580 FI Annotated Mild CCCCCCCCC[C@@H](C)C(=O)c1c(O)nc(OC)c(OC)c1O ZINC000049777382 FI Annotated Mild CCCCCCCCC[C@H](C)C(=O)c1c(O)nc(OC)c(OC)c1O ZINC000049777383 FI Annotated Mild Oc1ccc(/N=C(/Cc2ccc(F)cc2)c2ccc(O)c(O)c2O)cc1 ZINC000049780411 FI Annotated Mild CCCc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 ZINC000049784143 FI Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000049784417 FI Annotated Mild COc1oc(C[C@H](O)CCCCCCc2ccccc2)c(C)c(=O)c1C ZINC000049784547 FI Annotated Anodyne COc1oc(C[C@@H](O)CCCCCCc2ccccc2)c(C)c(=O)c1C ZINC000049784548 FI Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000049784923 FI Annotated Anodyne COC(=O)C[C@]1(O)OO[C@@](C)(C/C(C)=C/C=C/Cc2ccccc2)C[C@H]1C ZINC000049785788 FI Annotated Reactive O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1 ZINC000049785912 FI Annotated Anodyne C[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000049793620 FI Annotated Anodyne O=C(NCCSCc1cc(O)cc(O)c1)c1c(Cl)cccc1Cl ZINC000049802451 FI Annotated Anodyne c1cc(-c2cc3ccc(C4=NCCCN4)cc3s2)ccc1C1=NCCCN1 ZINC000049802687 FI Annotated Anodyne CN(C)c1ccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000049802700 FI Annotated Mild CN(C)c1ccc(/C=N/N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 ZINC000049802701 FI Annotated Mild CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CN2C=C1 ZINC000049803156 FI Annotated Mild CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CN2C=C1 ZINC000049803157 FI Annotated Mild O=C(NCCSCc1cccc(O)c1O)c1c(Cl)cccc1Cl ZINC000049803194 FI Annotated Clean CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(C(=O)O)cc4)cc3)CN2C=C1 ZINC000049803392 FI Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(C(=O)O)cc4)cc3)CN2C=C1 ZINC000049803393 FI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3cc4ccccc4o3)C[C@H]1C=N2 ZINC000049803458 FI Annotated Anodyne CC(C)COc1cccc2occ(Cc3ccc(C(=O)O)cc3)c(=O)c12 ZINC000049803555 FI Annotated Anodyne O=C(NCCSCc1ccc(O)cc1)c1c(Cl)cccc1Cl ZINC000049803734 FI Annotated Anodyne O=C(NCCSCc1cccc(O)c1)c1c(Cl)cccc1Cl ZINC000049803735 FI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(Cl)c3)C[C@H]1C=N2 ZINC000049807490 FI Annotated Anodyne CN(C)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1 ZINC000049807531 FI Annotated Bother O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1 ZINC000049808384 FI Annotated Anodyne O=Cc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 ZINC000049808387 FI Annotated Anodyne COc1ccc(-c2ccc(C(=O)[C@H]3CN=C4C=C(C)C=CN4C3)cc2)cc1 ZINC000049808482 FI Annotated Anodyne COc1ccc(-c2ccc(C(=O)[C@@H]3CN=C4C=C(C)C=CN4C3)cc2)cc1 ZINC000049808483 FI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/c3ccccc3)C[C@H]1C=N2 ZINC000049808484 FI Annotated Anodyne CCCNCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049808494 FI Annotated Reactive C=Cc1ccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N=C[C@@H]3C2)cc1 ZINC000049808593 FI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3c(C)cccc3C)C[C@H]1C=N2 ZINC000049808623 FI Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4[nH]ccc4c3)C[C@H]1C=N2 ZINC000049808669 FI Annotated Anodyne C1=C(CS/C(=N\C2CCCCC2)NC2CCCC2)N2CCN=C2S1 ZINC000049850420 FI Annotated Mild C=CC1=C(C)C(=O)C=C2[C@]1(OO)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC ZINC000049853725 FI Annotated Reactive CCCCCCCCCNC1=NC(C)(C)NC(NCc2ccc(C)cc2)=N1 ZINC000049867742 FI Annotated Mild CC1(C)CCC[C@@]2(C)c3coc(C4=C([N+](=O)[O-])C(=O)C=CC4=O)c3CC[C@H]12 ZINC000049877654 FI Annotated Mild CC1(C)CCC[C@]2(C)c3coc(C4=C([N+](=O)[O-])C(=O)C=CC4=O)c3CC[C@H]12 ZINC000049877656 FI Annotated Mild CC1(C)CCC[C@@]2(C)c3coc(C4=C([N+](=O)[O-])C(=O)C=CC4=O)c3CC[C@@H]12 ZINC000049877658 FI Annotated Mild CC1(C)CCC[C@]2(C)c3coc(C4=C([N+](=O)[O-])C(=O)C=CC4=O)c3CC[C@@H]12 ZINC000049877659 FI Annotated Mild C=C(c1ccccc1)[C@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000049878253 FI Annotated Reactive C=C(c1ccccc1)[C@@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000049878255 FI Annotated Reactive COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C(=O)CCC2(C)C)OO1 ZINC000049881765 FI Annotated Reactive CC(=O)c1ccc(SCC(=O)N(C)Cc2cccc(Cl)c2)c(F)c1 ZINC000049944463 FI Annotated Anodyne CCOc1cc(C(=CC#N)c2ccc(OC)c(OCC)c2)ccc1OC ZINC000000580479 FI Annotated Reactive NC(=Nc1ccc(NC(=O)C[C@@H]2CCSS2)cc1)c1cccs1 ZINC000000589647 FI Annotated Reactive CSc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 ZINC000000593222 FI Annotated Anodyne Cc1cn(-c2cccc(Nc3ncnc4c3CCc3ccccc3-4)c2)cn1 ZINC000000593410 FI Annotated Anodyne in-vitro COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1CCc1ccccc1 ZINC000000596256 FI Annotated Anodyne Cc1cc(O)ccc1Nc1c(C(=O)C(C)C)cnc2c(CO)cccc12 ZINC000000597156 FI Annotated Anodyne CC(C)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000000597853 FI Annotated Anodyne Cc1c(C(=O)CN2CCCCC2)c(C)n(C)c1C(=O)c1ccc(Cl)cc1 ZINC000000598838 FI Annotated Anodyne CCCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000000599225 FI Annotated Anodyne CC(C)(C)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000000599226 FI Annotated Anodyne CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2ccncc2)c1)C(C)C ZINC000000602556 FI Annotated Anodyne in-vivo COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(C)=O)c1Cl ZINC000000602744 FI Annotated Anodyne CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C ZINC000000603455 FI Annotated Anodyne O=S(=O)(/N=C(\O)Nc1ccc(Cl)cc1)c1csc2ccccc12 ZINC000000606265 FI Annotated Mild COc1cc(NC(C)=O)c(Cl)cc1-c1nc(C)c(-c2cccnc2)[nH]1 ZINC000000607406 FI Annotated Anodyne Cc1cc(C)c2c3c(sc2n1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O3 ZINC000000659931 FI Annotated Reactive Cc1cc(C)c2c3c(sc2n1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O3 ZINC000000659934 FI Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2nc(C)cc(C)c32)cc1 ZINC000000688038 FI Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2nc(C)cc(C)c32)cc1 ZINC000000688039 FI Annotated Reactive CN(C)CCNc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3 ZINC000000752865 FI Annotated Anodyne CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1nc2ccccc2s1 ZINC000000752983 FI Annotated Anodyne Clc1ccc(-c2ncnn2-c2ccc(Br)cn2)c(Cl)c1 ZINC000000753671 FI Annotated Anodyne Clc1cccc(-c2ncnn2-c2ccc(Br)cn2)c1Cl ZINC000000753673 FI Annotated Anodyne COC(=O)Cc1nc(N(C)C2CCCCC2)c2c3c(sc2n1)CCCC3 ZINC000000753822 FI Annotated Anodyne Cc1nc(NC[C@H]2COc3ccccc3O2)c2c3c(sc2n1)CCCC3 ZINC000000753856 FI Annotated Anodyne Cc1nc(NC[C@@H]2COc3ccccc3O2)c2c3c(sc2n1)CCCC3 ZINC000000753857 FI Annotated Anodyne CC[C@@H](C)NC(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C ZINC000000753907 FI Annotated Anodyne CC[C@H](C)NC(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C ZINC000000753908 FI Annotated Anodyne Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccn3)C2)c(=O)o1 ZINC000000754333 FI Annotated Anodyne Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccn3)C2)c(=O)o1 ZINC000000754334 FI Annotated Anodyne N#Cc1ccc(Oc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1C#N ZINC000000754652 FI Annotated Mild O=C(/C=C\Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000000754706 FI Annotated Mild O=[N+]([O-])c1ccc(/C=C/[C@@H]2N=C(O)c3c(sc4c3CCCC4)N2)cc1 ZINC000000755173 FI Annotated Bother O=[N+]([O-])c1ccc(/C=C/[C@H]2N=C(O)c3c(sc4c3CCCC4)N2)cc1 ZINC000000755175 FI Annotated Bother CSc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 ZINC000000756223 FI Annotated Anodyne CCOc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1 ZINC000000757953 FI Annotated Anodyne Fc1cc(Br)ccc1-n1ncnc1-c1ccc(Cl)cc1 ZINC000000758109 FI Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763113 FI Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763114 FI Annotated Anodyne C[C@H](NC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000000772226 FI Annotated Anodyne C[C@@H](NC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000000772227 FI Annotated Anodyne C[C@H](NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000000772228 FI Annotated Anodyne C[C@@H](NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000000772229 FI Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@H](C)C(C)C)cc1 ZINC000000774375 FI Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@@H](C)C(C)C)cc1 ZINC000000774376 FI Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCC(C)C)cc1 ZINC000000774479 FI Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2C)cc1 ZINC000000775268 FI Annotated Anodyne CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 ZINC000000775670 FI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 ZINC000000775671 FI Annotated Anodyne CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 ZINC000000775720 FI Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 ZINC000000775721 FI Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCc1ccccc1F ZINC000000776211 FI Annotated Anodyne COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 ZINC000000776219 FI Annotated Anodyne CC(C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000776240 FI Annotated Bother COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)c(OC)c1 ZINC000000777236 FI Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1 ZINC000000777237 FI Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)c(OC)c1 ZINC000000777251 FI Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCC(C)C)c(OC)c1 ZINC000000777253 FI Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1O ZINC000000796175 FI Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c1 ZINC000000809689 FI Annotated Mild O=C(O)c1ccccc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O ZINC000000833254 FI Annotated Anodyne CCN(CC)CCn1nc2c3ccccc3sc3c(CN)ccc1c32 ZINC000000838518 FI Annotated Bother CCN(CC)CCn1nc2c3ccccc3sc3c(CNC)ccc1c32 ZINC000000838519 FI Annotated Bother O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21 ZINC000000857654 FI Annotated Clean CCOc1cc(-c2nc3cc(C)ccn3c2NC[C@H]2CCCO2)ccc1O ZINC000000883869 FI Annotated Anodyne CCOc1cc(-c2nc3cc(C)ccn3c2NC[C@@H]2CCCO2)ccc1O ZINC000000883872 FI Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1 ZINC000000895575 FI Annotated Anodyne CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21 ZINC000000900715 FI Annotated Reactive in-man O=C(c1ccc([N+](=O)[O-])cc1)N(C1=NCCCCS1)c1ccccc1 ZINC000000974685 FI Annotated Bother CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(Br)cc1 ZINC000000987945 FI Annotated Anodyne aggregator Brc1ccc(-c2nnc(-c3cccnc3)c3conc23)cc1 ZINC000000987969 FI Annotated Anodyne Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2O)n1 ZINC000005002985 FI Annotated Mild Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 ZINC000005015039 FI Annotated Mild Cc1c(C(=O)O)ccc2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 ZINC000005015043 FI Annotated Mild CCn1c(C(=O)NCCCN2CCCC[C@@H]2C)cc2sc(Cl)cc21 ZINC000005036510 FI Annotated Anodyne CCn1c(C(=O)NCCCN2CCCC[C@H]2C)cc2sc(Cl)cc21 ZINC000005036513 FI Annotated Anodyne COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000005037513 FI Annotated Anodyne CCCN(C(=O)Cn1ncc2c1-c1ccccc1OC2)c1cccc(C)c1 ZINC000005055178 FI Annotated Anodyne CC1=C(C(=O)N[C@@H]2CCCc3ccccc32)C2(CCC(C)CC2)OC1=O ZINC000005058761 FI Annotated Anodyne CC1=C(C(=O)N[C@H]2CCCc3ccccc32)C2(CCC(C)CC2)OC1=O ZINC000005058762 FI Annotated Anodyne CC1=C(C(=O)NCCCSC2CCCCC2)C2(CCCCC2)OC1=O ZINC000005058832 FI Annotated Anodyne Cn1c(=O)cc(SC/C(O)=N/C2CCCC2)c2cc(Cl)ccc21 ZINC000005066884 FI Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C ZINC000005072501 FI Annotated Mild COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000005084564 FI Annotated Anodyne COC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000005084708 FI Annotated Anodyne COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000005085018 FI Annotated Anodyne O=c1c(N2CCN(c3ccccc3)CC2)csc2ccc(Cl)cc12 ZINC000005087972 FI Annotated Anodyne CN1C(=O)C(=N)c2c3ccccc3c(O)c3c(N4CCCCC4)ccc1c23 ZINC000005091741 FI Annotated Bother Cn1c(SCC(=O)/N=N\c2c(O)[nH]c3ccccc23)nc2ccccc21 ZINC000005091830 FI Annotated Clean CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000005101050 FI Annotated Mild CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000005101051 FI Annotated Mild COc1c(OC)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1-2 ZINC000005138534 FI Annotated Anodyne CCN(CC)CCCCNc1ncc(C)c2c1c1cc(O)ccc1n2C ZINC000005139264 FI Annotated Anodyne CCN(CC)CCCNc1ncc(C)c2c1c1cc(OC)ccc1n2C ZINC000005139277 FI Annotated Anodyne Cc1ccccc1C(=O)c1cccn1CC(=O)NCCC1=CCCCC1 ZINC000005143058 FI Annotated Anodyne Cc1ccc(C(=O)O)cc1/N=C/c1c(C)nn(-c2ccc(Cl)cc2)c1O ZINC000005175335 FI Annotated Mild ClC(Cl)(Cl)c1nc(N/N=C/c2ccncc2)c2ccccc2n1 ZINC000005257622 FI Annotated Mild ClC(Cl)(Cl)c1nc(N/N=C/c2ccccn2)c2ccccc2n1 ZINC000005257623 FI Annotated Mild Cc1[nH]c(=O)c(C(=O)/C=C/c2cccc(Br)c2)c2c1CCCC2 ZINC000005285825 FI Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3sc4c(c3C#N)CCC4)c2O)cc1 ZINC000005443008 FI Annotated Mild CC(C)Oc1ccc(Cc2c(O)nc(=S)n(-c3ccccc3)c2O)cc1 ZINC000005444174 FI Annotated Anodyne COc1cc(SC#N)ccc1/N=C/c1c(C)nn(-c2ccccc2)c1O ZINC000005488164 FI Annotated Reactive Cc1nc2cc(/C(O)=N/Cc3cccnc3)ccc2n1-c1cccc(F)c1 ZINC000050538996 FI Annotated Mild C=C(C)CC/C(=C/CC/C(=C/CC/C(C)=C\CO)COC(C)=O)C(=O)O ZINC000523042049 FI Annotated Mild C=C(C)[C@H](CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO ZINC000523042394 FI Annotated Reactive C=C(C)[C@@H](CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO ZINC000523042395 FI Annotated Reactive C=C(C)[C@@H](CCC1=CC[C@@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO ZINC000523042396 FI Annotated Reactive C/C(=C/CO)CC/C=C(\C)[C@@H]1CC=C(C/C=C/C(C)(C)OO)C(=O)O1 ZINC000523042472 FI Annotated Reactive C/C(=C/CO)CC/C=C(\C)[C@H]1CC=C(C/C=C/C(C)(C)OO)C(=O)O1 ZINC000523042473 FI Annotated Reactive CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)[C@H](C)C1 ZINC000053059666 FI Annotated Anodyne CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)[C@@H](C)C1 ZINC000053059668 FI Annotated Anodyne OC1CN(C2=Nc3ccccc3C(c3ccccc3)=N[C@@H]2c2cccs2)C1 ZINC000053194178 FI Annotated Anodyne in-vivo OC1CN(C2=Nc3ccccc3C(c3ccccc3)=N[C@H]2c2cccs2)C1 ZINC000053194179 FI Annotated Anodyne Oc1ccccc1CN1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 ZINC000053201290 FI Annotated Clean Oc1ccccc1CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 ZINC000053201292 FI Annotated Clean CN1CCC(N(C)C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000053228028 FI Annotated Reactive Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@@H]1N2C ZINC000053229805 FI Annotated Bother Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@H]1N2C ZINC000053229806 FI Annotated Bother COc1ccc2nc(Cl)c(Cn3cc(-c4ccccc4)nn3)cc2c1 ZINC000053229952 FI Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCCCC3)[C@@H]2CC1 ZINC000053230108 FI Annotated Anodyne c1ccc(-n2ncc3c2CCOC32CCN(CC3CCCCC3)CC2)cc1 ZINC000053242595 FI Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000053242827 FI Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000053242829 FI Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000053242831 FI Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000053242833 FI Annotated Anodyne C/C(=C\C=C\C(C)=C1\C(=O)C[C@H]2[C@H]3CCC(=O)C[C@@H]3CC[C@]12C)C(=O)O ZINC000053243023 FI Annotated Mild N#C/C(=C1\SCC(=O)N1c1ccccc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000053243293 FI Annotated Reactive C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C)C3CCCCC3)[C@@H]2CC1 ZINC000053243659 FI Annotated Anodyne CCCCn1c2ccccc2c2cc(CNCCN(CC)CC)ncc21 ZINC000053243938 FI Annotated Anodyne CN(C)CC[C@]1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 ZINC000053244091 FI Annotated Anodyne CN(C)CC[C@@]1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 ZINC000053244092 FI Annotated Anodyne O=C(O)c1c(NCc2ccccc2)ncnc1SCc1ccccc1 ZINC000053276412 FI Annotated Anodyne C=C1C[C@@]2(C(=O)Nc3c(C)cc(Br)cc3C)C=CC(=O)[C@@H]1C2 ZINC000053276554 FI Annotated Mild C=CCN(C(=O)[C@]12C=CC(=O)[C@H](C1)C(=C)C2)c1ccc(Br)cc1 ZINC000053293737 FI Annotated Mild COc1cc(/C=C(\Cn2ccnc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000053295005 FI Annotated Bother COc1cc(OC)c2c(c1)O/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000053295660 FI Annotated Mild CSc1nc(NCc2ccccc2)c(C(=O)O)c(-c2cccs2)n1 ZINC000053296728 FI Annotated Anodyne CN(C)c1ccc(-n2ccc3cc(I)ccc32)cc1 ZINC000053296883 FI Annotated Anodyne COc1ccc2cc(Cn3cc(-c4ccccc4)nn3)c(Cl)nc2c1 ZINC000053297283 FI Annotated Anodyne Oc1cc(Cc2ccccc2)c(Br)c(Br)c1O ZINC000053314260 FI Annotated Clean CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O ZINC000005501004 FI Annotated Mild in-vitro biogenic CSc1nc2c(c(=O)[nH]1)N=C(c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000005503366 FI Annotated Anodyne CN(/C=C/C(=O)C(F)(F)F)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000005505057 FI Annotated Mild CCN(CC)C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005509416 FI Annotated Anodyne NC12C[C@@H]3C[C@H](C1)CC(SSC14C[C@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2 ZINC000005517425 FI Annotated Reactive N#C[C@@H](c1nc2ccccc2s1)c1nc(Cl)ncc1Br ZINC000005519624 FI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@H]3C[C@H]12 ZINC000005529915 FI Annotated Mild COC(=O)c1ccc(C)cc1[C@@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539624 FI Annotated Anodyne COC(=O)c1ccc(C)cc1[C@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539630 FI Annotated Anodyne COC(=O)c1ccc(C)cc1[C@@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539631 FI Annotated Anodyne COC(=O)c1ccc(C)cc1[C@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539637 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539642 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539644 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539648 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539653 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539655 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539656 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539661 FI Annotated Anodyne COC(=O)c1cccc(C)c1[C@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539664 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539740 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539747 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539750 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539758 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539760 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539765 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539770 FI Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539771 FI Annotated Anodyne COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539779 FI Annotated Anodyne COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539780 FI Annotated Anodyne COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539781 FI Annotated Anodyne COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539785 FI Annotated Anodyne CSc1nc2c(c(=O)[nH]1)N=C(c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000005542966 FI Annotated Anodyne CCOC(=O)c1ccc2c(c1)nc1n2[C@H](c2c(F)cccc2F)SC1 ZINC000005544156 FI Annotated Anodyne N#Cc1cnc(=S)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N ZINC000005580317 FI Annotated Mild Cc1ccc(S(=O)(=O)C[C@H]2CCCn3c2c(C#N)c2ccccc23)cc1 ZINC000005580957 FI Annotated Mild COc1ccc(N[C@H](C[S@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005581585 FI Annotated Anodyne COc1ccc(N[C@H](C[S@@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005581588 FI Annotated Anodyne N#C[C@]1(Cc2ccc(N)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000005581988 FI Annotated Mild O=C1C[C@@]2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1 ZINC000005582081 FI Annotated Anodyne COc1ccc2oc(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1 ZINC000005582292 FI Annotated Reactive COc1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 ZINC000005596430 FI Annotated Anodyne C=C(C)[C@@]1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]2CCCC[C@@H]21 ZINC000005601391 FI Annotated Mild CC1=C(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)Sc2ccccc2N1 ZINC000005616067 FI Annotated Mild O=c1c(Oc2ccc(F)cc2)c(C(F)(F)F)oc2c(O)c(O)ccc12 ZINC000005634978 FI Annotated Clean CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005711876 FI Annotated Anodyne COc1ccc(OC)c2c1C=C[C@H](C1(C)SCCS1)[C@@H]2C(C)=O ZINC000005712664 FI Annotated Anodyne COc1ccc(OC)c2c1C=C[C@H](C1(C)SCCS1)[C@H]2C(C)=O ZINC000005712902 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000005714067 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000005714071 FI Annotated Anodyne Cc1cccc2c1N(C(=O)/C=C\C(=O)O)[C@H](c1c(C)[nH]c3ccccc13)C2 ZINC000005722808 FI Annotated Anodyne Cc1cccc2c1N(C(=O)/C=C\C(=O)O)[C@@H](c1c(C)[nH]c3ccccc13)C2 ZINC000005722810 FI Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(Cl)c2)C1=S ZINC000005736829 FI Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)C1=C(OC(C)(C)[C@H]3CCC(C)=C[C@H]13)C2=O ZINC000005767431 FI Annotated Mild in-vitro CC(C)=CC[C@]12C(=O)C=CC(=O)[C@]13CC(C)=C[C@H]2c1cc(O)ccc1O3 ZINC000005767710 FI Annotated Mild in-vitro CCCCC(=O)NS(=NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000005782177 FI Annotated Anodyne CCCCO[C@@H]1C[C@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 ZINC000005784056 FI Annotated Anodyne CCCCO[C@@H]1C[C@@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 ZINC000005784059 FI Annotated Anodyne CCCCO[C@H]1C[C@@]2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 ZINC000005784068 FI Annotated Anodyne O=c1c(Br)cc2nc3ccccc3sc-2c1Br ZINC000005809352 FI Annotated Bother N#Cc1cc2c(cc1C#N)SCCSCCCSCCS2 ZINC000005822304 FI Annotated Mild CC(C)Oc1c(-c2ccc(F)cc2)c(O)c2c3c1oc(=O)n3C=C[C@H]2C ZINC000005831519 FI Annotated Anodyne CC(=O)Oc1c2oc3ccc(Cl)cc3c(=O)c2c(O)c2ccsc12 ZINC000005831580 FI Annotated Bother O=C1c2nn(-c3ccccc3)nc2[C@H](c2ccccc2)N1c1ccccc1 ZINC000005833910 FI Annotated Anodyne C=C(C)[C@@H]1CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(COC(C)=O)=C\[C@@H]1O ZINC000005836988 FI Annotated Mild C=C(C)[C@H]1CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(COC(C)=O)=C\[C@@H]1O ZINC000005836992 FI Annotated Mild CCCC[C@@H]1Cc2cc(OC)ccc2-c2n1c1cc(OC)ccc1[n+]2C ZINC000005838358 FI Annotated Clean CCCC[C@H]1Cc2cc(OC)ccc2-c2n1c1cc(OC)ccc1[n+]2C ZINC000005838449 FI Annotated Clean CC(C)C[C@@H]1[C@@H](OCc2ccccc2)CO[S@@](=O)N1Cc1ccccc1 ZINC000005840956 FI Annotated Anodyne CC(C)C[C@H]1[C@@H](OCc2ccccc2)CO[S@@](=O)N1Cc1ccccc1 ZINC000005840964 FI Annotated Anodyne CC(C)C[C@@H]1[C@@H](OCc2ccccc2)CO[S@](=O)N1Cc1ccccc1 ZINC000005840968 FI Annotated Anodyne CC(C)C[C@H]1[C@@H](OCc2ccccc2)CO[S@](=O)N1Cc1ccccc1 ZINC000005840976 FI Annotated Anodyne COc1ccc(O[C@H](COCc2ccccc2)C[C@@H]2COC(C)(C)O2)cc1 ZINC000005841916 FI Annotated Anodyne Nc1nc2c(c(-c3ccc(F)cc3)n1)COC/C2=C\c1ccc(F)cc1 ZINC000005842238 FI Annotated Anodyne CCN1c2ncc(CCc3ccc(C)cc3)cc2C(=O)N(C)c2cccnc21 ZINC000005842249 FI Annotated Anodyne CCN1c2ncc(CCc3cccc(C)c3)cc2C(=O)N(C)c2cccnc21 ZINC000005842274 FI Annotated Anodyne CCN1c2ncc(CCc3ccccc3C)cc2C(=O)N(C)c2cccnc21 ZINC000005842302 FI Annotated Anodyne COc1ccc(/N=C(/C[S@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005847072 FI Annotated Mild CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000005848362 FI Annotated Bother CCn1cc2c(=O)n(-c3ccccc3)nc-2c2ccc(-c3ccncc3)cc21 ZINC000005848379 FI Annotated Anodyne COC1=C(C)C(=O)c2ccc3c(c2C1=O)C=C[C@@](C)(CCCC(C)(C)O)O3 ZINC000005849345 FI Annotated Mild COc1ccc2c(c1)CCN=C2Cc1cc(OC)c(OC)cc1CCCl ZINC000005849901 FI Annotated Reactive O=C1C[C@H](Sc2ccccc2)C2(OCCO2)[C@@H](Sc2ccccc2)C1 ZINC000005850111 FI Annotated Anodyne O=C1C[C@@H](Br)c2c(Br)sc(Br)c21 ZINC000005851528 FI Annotated Reactive COC(=O)[C@@]1(C)CCC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 ZINC000005852841 FI Annotated Anodyne C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000005862139 FI Annotated Mild CC1=C(O)C(=O)c2c(ccc3c2C=C[C@@](C)(CCCC(C)(C)O)O3)C1=O ZINC000005882693 FI Annotated Mild O=C1[C@H]2[C@@H]3S[C@@H](c4cc5ccccc5cc43)[C@H]2C(=O)N1c1ccccc1 ZINC000005883315 FI Annotated Anodyne O=C1[C@H]2[C@H]3S[C@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 ZINC000005883320 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@@H](c4ccc5ccccc5c43)[C@H]2C(=O)N1c1ccccc1 ZINC000005883321 FI Annotated Anodyne CC(=O)c1[nH]c(NCc2ccccc2)c(C(=S)Nc2ccccc2)c1N ZINC000005884219 FI Annotated Anodyne CC(=O)c1nc(/C=C/c2ccccc2)c2ncn(Cc3ccccc3)c2n1 ZINC000005884634 FI Annotated Anodyne COCCOCCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000005885272 FI Annotated Anodyne in-vivo COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)N(Cc1ccccc1)CC3 ZINC000005885845 FI Annotated Bother CCc1c(C)[nH]c(=O)c(NC(=O)C(C)(C)C)c1C(=O)c1cc(C)cc(C)c1 ZINC000005885957 FI Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-c2ccccc2)c1 ZINC000005886093 FI Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)CCCCCO)c1Cc1cc(C)cc(C)c1 ZINC000005886184 FI Annotated Anodyne CCc1cc(N(C)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C ZINC000005887135 FI Annotated Anodyne CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C ZINC000005887496 FI Annotated Anodyne CSc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C ZINC000005891342 FI Annotated Anodyne Cc1nc(CCCCCOC(=O)c2ccccc2)n2nc(Cl)ccc12 ZINC000005891793 FI Annotated Anodyne C[C@@H](C/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O ZINC000005919453 FI Annotated Mild C[C@H](C/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O ZINC000005920521 FI Annotated Mild CN(C(=O)C1=CCCCCC1)c1ccccc1I ZINC000005922427 FI Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1ccc3ccccc3c1C2=O ZINC000005923238 FI Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1ccc3ccccc3c1C2=O ZINC000005923240 FI Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1ccc3ccccc3c1C2=O ZINC000005923242 FI Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1ccc3ccccc3c1C2=O ZINC000005923244 FI Annotated Anodyne Cc1cc(C)c(Sc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000005930608 FI Annotated Mild Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccc(Cl)cc2)n1 ZINC000005930768 FI Annotated Mild Cc1ccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)cc1 ZINC000005930939 FI Annotated Anodyne Cc1cccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)c1 ZINC000005931249 FI Annotated Anodyne Cc1ccccc1OCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 ZINC000005931397 FI Annotated Anodyne N#Cc1ccc(Nc2nc(O)nc(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000005932836 FI Annotated Mild O=C1Nc2ccc(Cl)c3c2[C@](C(F)(F)F)(C=C(c2cccnc2)O3)N1 ZINC000005933502 FI Annotated Anodyne O=C1Nc2c(COCc3ccccc3)ccnc2N(C2CC2)c2ncccc21 ZINC000005934224 FI Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)[C@@H]1C ZINC000005936456 FI Annotated Anodyne COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc(C)cc2)C1 ZINC000005940515 FI Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@H](Br)C(C)(C)Br ZINC000005940618 FI Annotated Reactive CC(=O)OC/C=C(\C)CC[C@@H](Br)C(C)(C)Br ZINC000005940626 FI Annotated Reactive COc1cccc2c1C(=O)c1ccc3cc(CCl)cc(O)c3c1C2=O ZINC000005941525 FI Annotated Reactive c1cc2nnc1SCCCSc1ccc(nn1)SCCCS2 ZINC000005954852 FI Annotated Anodyne CC1(C)CC2(CC(C)(C)c3cc(C=O)c(O)cc32)c2cc(O)c(C=O)cc21 ZINC000005963566 FI Annotated Anodyne CCCCCC[C@H](C)c1ccc2c(c1)C(=O)c1nc3ccncc3c(=O)n1-2 ZINC000005973135 FI Annotated Anodyne CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1 ZINC000005978517 FI Annotated Anodyne c1cncc(-c2ncc3c(n2)CCC[C@H]3NCc2c[nH]c3ccccc23)c1 ZINC000055132476 FI Annotated Anodyne c1cncc(-c2ncc3c(n2)CCC[C@@H]3NCc2c[nH]c3ccccc23)c1 ZINC000055132478 FI Annotated Anodyne COc1ccc(CC2(CO)CCN(Cc3nc(C(C)C)cs3)CC2)cc1 ZINC000055182475 FI Annotated Anodyne N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000055392742 FI Annotated Mild O=C(N1CC[C@@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000056834458 FI Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(C)cc2)cc1Cl ZINC000057011138 FI Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000057011139 FI Annotated Anodyne Clc1ccccc1CN(Cc1ccco1)Cc1nnnn1C1CCCC1 ZINC000057614069 FI Annotated Anodyne CCOC(=O)C1CCN([C@H](/C(O)=N/C2CCCC2)c2ccc(C)cc2)CC1 ZINC000058012582 FI Annotated Mild CCOC(=O)C1CCN([C@@H](/C(O)=N/C2CCCC2)c2ccc(C)cc2)CC1 ZINC000058012583 FI Annotated Mild Cc1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN32)o1 ZINC000058046453 FI Annotated Anodyne Cc1ccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN23)o1 ZINC000058046454 FI Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccc(C)c2)cc1Cl ZINC000058046962 FI Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccc(C)c2)cc1Cl ZINC000058046963 FI Annotated Anodyne O=C1C[C@]2(CCCc3ccccc32)OC(=O)[C@@H]1SCCc1ccccc1 ZINC000058498165 FI Annotated Anodyne FC(F)(F)c1cc(N/N=C/c2c[nH]cn2)c2cccc(C(F)(F)F)c2n1 ZINC000058498715 FI Annotated Mild O=S1(=O)C=C(c2ccc(O)cc2Cl)C(c2ccc(O)cc2Cl)=C1 ZINC000584905034 FI Annotated Anodyne Cc1c(Sc2cccc(OC(F)(F)F)c2)sc2nc(=N)[nH]c(N)c12 ZINC000584905178 FI Annotated Anodyne Cc1c(Sc2ccc(OC(F)(F)F)cc2)sc2nc(=N)[nH]c(N)c12 ZINC000584905223 FI Annotated Anodyne Cc1c(Sc2ccc(C(F)(F)F)cc2)sc2nc(=N)[nH]c(N)c12 ZINC000584905323 FI Annotated Anodyne N#Cc1ccccc1Oc1ccc(Cn2cc(C3CCCC3)nn2)cc1O ZINC000584905740 FI Annotated Mild CC1=NN([C@H]2C[C@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 ZINC000058511474 FI Annotated Anodyne COc1cc([C@H](OC)[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O ZINC000058522495 FI Annotated Anodyne CN1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000058522965 FI Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@H]1[C@@H]1CNC[C@H]21 ZINC000058534527 FI Annotated Mild CCCSc1c(C#N)c(SCCC)c2c(N)nc(N)nc2c1Cl ZINC000058538271 FI Annotated Mild COc1cc(OC)c2c(c1)O/C(=C\c1ccc(-c3ccncc3)cc1)C2=O ZINC000058568516 FI Annotated Mild O=C1c2ccccc2C(=O)N1CCCOc1ccc(Cl)c(Cl)c1 ZINC000058568706 FI Annotated Anodyne Cc1cc(C)c2nc(C3(c4ccc(F)cc4)CC3)c(O)c(C(=O)O)c2c1 ZINC000058574944 FI Annotated Anodyne Cc1ccc([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1 ZINC000058575330 FI Annotated Reactive CC(=O)Nc1ccc2oc(-c3ccc(C(F)(F)F)cc3)c(O)c(=O)c2c1 ZINC000058575792 FI Annotated Anodyne CCOc1ccc2c(c1)O/C(=C\c1cc[n+](Cc3ccc(C)cc3)cc1)C2=O ZINC000058576448 FI Annotated Mild CN(C)c1ccc2[nH]c(Cl)c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c2c1 ZINC000058576612 FI Annotated Clean CCOc1ccc2c(c1)O/C(=C\c1cc[n+](Cc3ccccc3)cc1)C2=O ZINC000058580933 FI Annotated Mild Cc1nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)no1 ZINC000058581651 FI Annotated Anodyne CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc21 ZINC000058581656 FI Annotated Anodyne FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 ZINC000058581686 FI Annotated Anodyne NC(=O)c1nc(-c2ccc(-c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000058582541 FI Annotated Anodyne CCOc1ccc2c(c1)O/C(=C\c1cc[n+](Cc3ccccc3C)cc1)C2=O ZINC000058582560 FI Annotated Mild CCOc1ccc2c(c1)O/C(=C\c1cc[n+](Cc3cccc(C)c3)cc1)C2=O ZINC000058582562 FI Annotated Mild CC[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc21 ZINC000058583188 FI Annotated Anodyne CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc21 ZINC000058583410 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000058589988 FI Annotated Anodyne N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccc(F)cc1 ZINC000058590839 FI Annotated Reactive N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccccc1F ZINC000058591207 FI Annotated Reactive O=C(O)c1c(O)c([C@@H]2Cc3ccccc32)nc2c(C(F)(F)F)cccc12 ZINC000058591338 FI Annotated Anodyne CCCOc1ccc2c(c1)O/C(=C\c1cc[n+](Cc3ccccc3)cc1)C2=O ZINC000058591926 FI Annotated Mild Cc1ccccc1[C@@H]1C(C#N)=C(N)OC(c2c[nH]c3ccccc23)=C1C#N ZINC000058592369 FI Annotated Reactive CC(C)=CCC[C@]1(C)Oc2c(c(O)c(C)c(O)c2C(=O)C(C)C)C[C@H]1O ZINC000058592888 FI Annotated Anodyne COc1ccc2c(c1)[C@]13CCN(C)C[C@@]1(C2)Cc1c(n(C)c2ccccc12)C3 ZINC000058598717 FI Annotated Anodyne CCOCCN(CCC1CCCCC1)C(=O)NCCCc1ccncc1 ZINC000058603014 FI Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000058603151 FI Annotated Anodyne O=C1c2ccccc2C(=NOCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000058603433 FI Annotated Mild CC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCCc3ccccc32)n1 ZINC000058608336 FI Annotated Anodyne O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3cc(F)ccc3c12 ZINC000058627037 FI Annotated Bother Cc1nnc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3Cl)nc1-2 ZINC000058632535 FI Annotated Bother CN(CCCCC(=O)O)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000058650441 FI Annotated Clean in-vivo C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](OC2CCCCCCCCCCCC2)O1 ZINC000058660870 FI Annotated Anodyne FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCC[C@H]4C3)c2c1 ZINC000058668435 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 ZINC000586877467 FI Annotated Anodyne CCCC1(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CCC1 ZINC000586877488 FI Annotated Anodyne C#CCC1(c2nc3cccc(I)c3[nH]2)CCCCC1 ZINC000586877545 FI Annotated Mild C#CCC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCCCC1 ZINC000586877579 FI Annotated Mild C#CCC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCCCC1 ZINC000586877785 FI Annotated Mild C#CCC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCCCC1 ZINC000586877808 FI Annotated Mild C#CCC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCCCC1 ZINC000586877854 FI Annotated Mild C#CCC1(c2nc3ccc(I)cc3[nH]2)CCCCC1 ZINC000586877873 FI Annotated Mild Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586878136 FI Annotated Anodyne N#Cc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000586878251 FI Annotated Mild N#Cc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000586878254 FI Annotated Mild O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586878288 FI Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586878291 FI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586878470 FI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586878471 FI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586878539 FI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586878540 FI Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000586878592 FI Annotated Anodyne CCc1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1CC ZINC000586878626 FI Annotated Anodyne Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878731 FI Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586878789 FI Annotated Anodyne Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879376 FI Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000586879393 FI Annotated Bother Nc1ccc(-c2ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3c2)cc1N ZINC000586879633 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3c2)cc1N ZINC000586879640 FI Annotated Anodyne Cc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879754 FI Annotated Anodyne CCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1CC ZINC000586879756 FI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586880286 FI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586880287 FI Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586880327 FI Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880437 FI Annotated Bother Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586880493 FI Annotated Bother CC(=O)c1ccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586880571 FI Annotated Bother COC(=O)c1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2n1 ZINC000586880584 FI Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000586880646 FI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586880756 FI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586880757 FI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586880787 FI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586880789 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(Br)c2[nH]1 ZINC000586880800 FI Annotated Anodyne Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880974 FI Annotated Bother O=C(O)/C=C/c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586881269 FI Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586881270 FI Annotated Anodyne COc1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2n1 ZINC000586881421 FI Annotated Anodyne N#Cc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1C(F)(F)F ZINC000586881565 FI Annotated Mild N#Cc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1C(F)(F)F ZINC000586881578 FI Annotated Mild CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586881582 FI Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586881640 FI Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586881642 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586881648 FI Annotated Anodyne COc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cn1 ZINC000586881794 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3c2)cc1N ZINC000586881867 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3c2)cc1N ZINC000586881913 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586882115 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586882120 FI Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C/c3ccccc3C(=O)O)nc2c1 ZINC000586882147 FI Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C\c3ccccc3C(=O)O)nc2c1 ZINC000586882149 FI Annotated Mild CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586882322 FI Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000586882375 FI Annotated Bother COc1cncc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c12 ZINC000586882415 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586882421 FI Annotated Anodyne COc1nccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c12 ZINC000586882461 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586882574 FI Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000586882581 FI Annotated Bother CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586882591 FI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586882593 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 ZINC000586883240 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 ZINC000586883243 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 ZINC000586883244 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 ZINC000586883247 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc1-2 ZINC000586883448 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc1-2 ZINC000586883449 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc1-2 ZINC000586883450 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc1-2 ZINC000586883452 FI Annotated Anodyne CCCCC1CCC(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 ZINC000586883645 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)C2 ZINC000586883964 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Cl)c(Br)cnc3[nH]1)C2 ZINC000586883965 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@]34CCc3ccccc34)nc1-2 ZINC000586884109 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C[C@@]34CCc3ccccc34)nc1-2 ZINC000586884110 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C[C@]34CCc3ccccc34)nc1-2 ZINC000586884113 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@@]34CCc3ccccc34)nc1-2 ZINC000586884116 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586884803 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586884804 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586884805 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586884806 FI Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC1 ZINC000586884971 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586885192 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586885201 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)C2 ZINC000586885325 FI Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)C2 ZINC000586885332 FI Annotated Bother Fc1cnc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885541 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885542 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885543 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885544 FI Annotated Anodyne CCCCOc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586885581 FI Annotated Anodyne CCCCOc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586885584 FI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586885649 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586885656 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1N ZINC000586885681 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1N ZINC000586885686 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586885911 FI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586885914 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586885917 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586885920 FI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586886129 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586886133 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586886248 FI Annotated Mild Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586886265 FI Annotated Mild Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586886267 FI Annotated Mild Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586886270 FI Annotated Mild CC(C)[C@@](C)(O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586886853 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586886858 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 ZINC000586886873 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 ZINC000586886885 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586886893 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 ZINC000586886907 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586886910 FI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586886913 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586886916 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 ZINC000586886918 FI Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586886981 FI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586886998 FI Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586887003 FI Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586887005 FI Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586887215 FI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586887225 FI Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586887226 FI Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586887228 FI Annotated Anodyne COC(=O)c1cc2nc([C@@](C)(O)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586887386 FI Annotated Anodyne COC(=O)c1cc2nc([C@](C)(O)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586887419 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2 ZINC000586887564 FI Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2 ZINC000586887566 FI Annotated Bother Oc1c(Br)ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586887574 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586887575 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586887577 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586887579 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 ZINC000586887829 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 ZINC000586887833 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 ZINC000586887835 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 ZINC000586887839 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)C2 ZINC000586888104 FI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Br)cnc(Cl)c3[nH]1)C2 ZINC000586888109 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]3(C)CC)nc2c1 ZINC000586888438 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]3(C)CC)nc2c1 ZINC000586888440 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]3(C)CC)nc2c1 ZINC000586888441 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]3(C)CC)nc2c1 ZINC000586888442 FI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586888538 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586888539 FI Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1Br ZINC000586888755 FI Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1Br ZINC000586888756 FI Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1Br ZINC000586888757 FI Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1Br ZINC000586888759 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586889348 FI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586889353 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586889355 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586889358 FI Annotated Anodyne CC(C)COc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586889399 FI Annotated Anodyne CC(C)COc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586889400 FI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586890480 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586890481 FI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586891086 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586891089 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 ZINC000586891135 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 ZINC000586891136 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 ZINC000586891137 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 ZINC000586891138 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586891380 FI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586891385 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586891389 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586891391 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586892291 FI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586892292 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586892293 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586892294 FI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586892387 FI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586892388 FI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586893055 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586893058 FI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586893060 FI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586893061 FI Annotated Anodyne OCCCCCCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586894458 FI Annotated Anodyne O=C1CCc2cc3nc(CCCCCCCCCCCO)[nH]c3cc2N1 ZINC000586894460 FI Annotated Anodyne OCCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000586894519 FI Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1Br ZINC000586894661 FI Annotated Anodyne O=C(O)c1cc2nc(CCCCCCCCCCCO)[nH]c2cc1F ZINC000586894691 FI Annotated Anodyne N#Cc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1C#N ZINC000586894796 FI Annotated Mild O=C(O)c1cc(F)cc2nc(CCCCCCCCCCCO)[nH]c12 ZINC000586894802 FI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586894845 FI Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894878 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586895005 FI Annotated Mild O=C1CCc2cc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3cc2N1 ZINC000586895007 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1 ZINC000586895054 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 ZINC000586895055 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 ZINC000586895056 FI Annotated Anodyne CCCOc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1Br ZINC000586895195 FI Annotated Anodyne OCC12CCC(c3nc4ccc(F)c(Br)c4[nH]3)(CC1)CC2 ZINC000586895222 FI Annotated Anodyne OCC12CCC(c3nc4cc(Br)c(F)c(F)c4[nH]3)(CC1)CC2 ZINC000586895274 FI Annotated Anodyne OCC12CCC(c3nc4ccc(Br)c(F)c4[nH]3)(CC1)CC2 ZINC000586895299 FI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586895364 FI Annotated Anodyne OCC12CCC(c3nc4cc(Br)cc(F)c4[nH]3)(CC1)CC2 ZINC000586895451 FI Annotated Anodyne OCC12CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)(CC1)CC2 ZINC000586895628 FI Annotated Bother OCC12CCC(c3nc4cc(F)cc(Br)c4[nH]3)(CC1)CC2 ZINC000586895638 FI Annotated Anodyne OCC12CCC(c3nc4cc(Br)c(F)cc4[nH]3)(CC1)CC2 ZINC000586895763 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586895803 FI Annotated Anodyne Oc1ccc(C2(c3nc4c(Br)cnc(Cl)c4[nH]3)CC2)cc1 ZINC000586895840 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 ZINC000586895972 FI Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cn1 ZINC000586896008 FI Annotated Anodyne Oc1ccc(C2(c3nc4c(Cl)c(Br)cnc4[nH]3)CC2)cc1 ZINC000586896017 FI Annotated Anodyne Oc1ccc(C2(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC2)cc1 ZINC000586896030 FI Annotated Anodyne Oc1cccc(CCCCc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586896034 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 ZINC000586896037 FI Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 ZINC000586896041 FI Annotated Bother Oc1cccc(CCCCc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586896235 FI Annotated Anodyne Cc1nc2[nH]c(CCCCc3cccc(O)c3)nc2cc1Br ZINC000586896251 FI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)c(F)c(F)c4[nH]3)CC2)cc1 ZINC000586896252 FI Annotated Anodyne Oc1cccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586896385 FI Annotated Anodyne Oc1ccccc1C1(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586896396 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCCCc3cccc(O)c3)nc12 ZINC000586896466 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2n1 ZINC000586896506 FI Annotated Anodyne Oc1cccc(CCCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000586896524 FI Annotated Anodyne Oc1ccccc1C1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586896648 FI Annotated Bother Oc1cccc(CCCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586896717 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 ZINC000586896730 FI Annotated Bother Oc1cccc(CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586896904 FI Annotated Anodyne CC(C)c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896940 FI Annotated Anodyne Oc1cccc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586896953 FI Annotated Anodyne Oc1ccccc1C1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586896990 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc12 ZINC000586897086 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(C4(c5ccccc5O)CC4)[nH]c3c2)cc1N ZINC000586897092 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C3(c4ccccc4O)CC3)[nH]c12 ZINC000586897115 FI Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(C3(c4ccccc4O)CC3)[nH]c12 ZINC000586897206 FI Annotated Bother Oc1ccccc1C1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000586897226 FI Annotated Bother Oc1ccccc1C1(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586897276 FI Annotated Anodyne Oc1ccccc1C1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586897286 FI Annotated Anodyne Oc1cccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586897310 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 ZINC000586897354 FI Annotated Mild CCCOc1cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2cc1Br ZINC000586897553 FI Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 ZINC000586897561 FI Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000586897580 FI Annotated Anodyne Oc1c(-c2nc3c(F)cnc(Br)c3[nH]2)ccc2c1CCCC2 ZINC000586897713 FI Annotated Anodyne Oc1c(-c2nc3ccc(Br)c(O)c3[nH]2)ccc2c1CCCC2 ZINC000586898130 FI Annotated Anodyne Cc1nc2[nH]c(-c3ccc4c(c3O)CCCC4)nc2cc1Br ZINC000586898136 FI Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2cc1Br ZINC000586898178 FI Annotated Anodyne Oc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc2c1CCCC2 ZINC000586898283 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3c2)cc1N ZINC000586898316 FI Annotated Anodyne Oc1ccc(C2(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)cc1 ZINC000586898351 FI Annotated Bother Oc1ccc(-c2ccccc2-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586898355 FI Annotated Anodyne O[C@H]1CC[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000586898436 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1OC ZINC000586898636 FI Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586898723 FI Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586898771 FI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CC[C@H](O)CC4)[nH]c3c2)cc1 ZINC000586898936 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 ZINC000586899051 FI Annotated Anodyne OCC12CCC(c3nc4c5cccnc5c5ncccc5c4[nH]3)(CC1)CC2 ZINC000586899108 FI Annotated Bother Cc1c(Br)cnc2[nH]c(-c3ccc4c(c3O)CCCC4)nc12 ZINC000586899343 FI Annotated Anodyne Oc1ccc(C2(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)cc1 ZINC000586899411 FI Annotated Bother Oc1ccc(-c2ccccc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586899443 FI Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2cc1Br ZINC000586899847 FI Annotated Anodyne O[C@H]1CC[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000586899876 FI Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586899888 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586900043 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586900062 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586900302 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586900370 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586900391 FI Annotated Bother O=Cc1ccc(OCc2occc2-c2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586900421 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586900452 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586900480 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586900486 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586900487 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586900488 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586900489 FI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccoc3C3CC3)nc2c1 ZINC000586900552 FI Annotated Anodyne Brc1cncc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586900639 FI Annotated Mild CC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 ZINC000586900865 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586900929 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586900934 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586900995 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586901027 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586901037 FI Annotated Anodyne CC(C)COc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br ZINC000586901079 FI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 ZINC000586901207 FI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 ZINC000586901215 FI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 ZINC000586901216 FI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 ZINC000586901218 FI Annotated Anodyne COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1F ZINC000586901409 FI Annotated Anodyne Brc1ccnc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 ZINC000586901411 FI Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586901455 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586901477 FI Annotated Anodyne Ic1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 ZINC000586901490 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1OC ZINC000586901531 FI Annotated Mild Brc1nccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586901534 FI Annotated Mild COC(=O)c1cc2nc([C@@H](O)CC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586901547 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccoc3C3CC3)[nH]c21 ZINC000586901554 FI Annotated Clean CC(C)C[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586901586 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586901627 FI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586901654 FI Annotated Bother O=Cc1ccc(OCc2occc2-c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586901672 FI Annotated Anodyne CC[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586901678 FI Annotated Anodyne Ic1cccc2nc(-c3ccoc3C3CC3)[nH]c12 ZINC000586901813 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586902022 FI Annotated Anodyne Brc1cnc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586902023 FI Annotated Mild Brc1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2n1 ZINC000586902080 FI Annotated Mild CC(C)C[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586902084 FI Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586902100 FI Annotated Anodyne CCOCc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)o1 ZINC000586902158 FI Annotated Anodyne C(#Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)co1)c1ccccc1 ZINC000586902243 FI Annotated Mild CCOCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)o1 ZINC000586902417 FI Annotated Anodyne Brc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cn1 ZINC000586902463 FI Annotated Mild Cc1oc2c(c1-c1nc3cc(C#N)cc(Br)c3[nH]1)C(=O)CCC2 ZINC000586902605 FI Annotated Mild COc1ccc(C=O)c2cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)oc12 ZINC000586902613 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)oc12 ZINC000586902626 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)oc12 ZINC000586902687 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)oc12 ZINC000586903071 FI Annotated Anodyne CCOCc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)o1 ZINC000586903122 FI Annotated Bother CCc1oc2ccccc2c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586903339 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 ZINC000586903503 FI Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000586903533 FI Annotated Anodyne CCOCc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)o1 ZINC000586903541 FI Annotated Clean CCc1oc2ccccc2c1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000586903548 FI Annotated Anodyne Cc1oc2c(c1-c1nc3c(C)c(Br)cnc3[nH]1)C(=O)CCC2 ZINC000586903645 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)oc12 ZINC000586903653 FI Annotated Bother COc1ccc(C=O)c2cc(-c3nc4c(Cl)cc(C#N)cc4[nH]3)oc12 ZINC000586903658 FI Annotated Mild COc1ccc(C=O)c2cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)oc12 ZINC000586903679 FI Annotated Anodyne CCOCc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)o1 ZINC000586903729 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)oc12 ZINC000586903744 FI Annotated Anodyne CCOCc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)o1 ZINC000586903755 FI Annotated Bother O=[N+]([O-])c1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1[N+](=O)[O-] ZINC000586903988 FI Annotated Mild Cc1ccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)o1 ZINC000586904030 FI Annotated Anodyne O=C1CCc2cc3nc(-c4coc(C#Cc5ccccc5)c4)[nH]c3cc2N1 ZINC000586904042 FI Annotated Mild CCc1oc2ccccc2c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586904061 FI Annotated Bother CCOCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)o1 ZINC000586904069 FI Annotated Anodyne Cc1nc2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2cc1Br ZINC000586904128 FI Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]1)C(=O)CCC2 ZINC000586904216 FI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 ZINC000586904318 FI Annotated Bother O[C@H]1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 ZINC000586904320 FI Annotated Bother O[C@@H]1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 ZINC000586904322 FI Annotated Bother O[C@H]1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 ZINC000586904323 FI Annotated Bother Cc1oc2c(c1-c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)C(=O)CCC2 ZINC000586904384 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc12 ZINC000586904543 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)oc12 ZINC000586904579 FI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)oc12 ZINC000586904609 FI Annotated Bother COc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1Cl ZINC000586904624 FI Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(Br)c(O)c3[nH]1)C(=O)CCC2 ZINC000586904743 FI Annotated Anodyne O[C@@H]1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 ZINC000586904920 FI Annotated Bother O[C@@H]1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 ZINC000586904921 FI Annotated Bother O[C@H]1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 ZINC000586904922 FI Annotated Bother O[C@H]1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 ZINC000586904923 FI Annotated Bother O[C@@H]1C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 ZINC000586905030 FI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 ZINC000586905031 FI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 ZINC000586905032 FI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 ZINC000586905033 FI Annotated Anodyne Cc1c(-c2nc3c(Br)cc(C#N)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905089 FI Annotated Mild Cc1c(-c2nc3c(Br)cc(C#N)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905090 FI Annotated Mild Cc1c(-c2nc3c(F)c(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905120 FI Annotated Anodyne Cc1c(-c2nc3c(F)c(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905121 FI Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905151 FI Annotated Mild Cc1c(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905152 FI Annotated Mild Cc1c(-c2nc3cc(F)c(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905292 FI Annotated Anodyne Cc1c(-c2nc3cc(F)c(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905293 FI Annotated Anodyne Cc1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905400 FI Annotated Anodyne Cc1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905401 FI Annotated Anodyne Cc1c(-c2nc3c(Br)c(F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905405 FI Annotated Anodyne Cc1c(-c2nc3c(Br)c(F)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905406 FI Annotated Anodyne Cc1c(-c2nc3c(Br)cc(F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905487 FI Annotated Anodyne Cc1c(-c2nc3c(Br)cc(F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905488 FI Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905554 FI Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905555 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3occ4c3CCC4)[nH]c21 ZINC000586905574 FI Annotated Clean Cc1c(-c2nc3c(F)cc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905692 FI Annotated Anodyne Cc1c(-c2nc3c(F)cc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905693 FI Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)ccc21 ZINC000586905738 FI Annotated Reactive CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586906126 FI Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586906127 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3c2)cc1N ZINC000586906511 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3c2)cc1N ZINC000586906513 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586906583 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586906584 FI Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cc(F)cc3[nH]1)=C2 ZINC000586906823 FI Annotated Anodyne N#Cc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1C(F)(F)F ZINC000586906843 FI Annotated Mild Cc1cc(Br)c2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 ZINC000586906872 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586906956 FI Annotated Bother O=C1c2ccoc2CC[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586906957 FI Annotated Bother Oc1cccc2c1OCC(c1nc3c(Br)c(F)ccc3[nH]1)=C2 ZINC000586906977 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586907074 FI Annotated Bother O=C1c2ccoc2CC[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586907075 FI Annotated Bother Oc1cccc2c1OCC(c1nc3c(Br)cc(F)cc3[nH]1)=C2 ZINC000586907084 FI Annotated Anodyne Oc1cccc2c1OCC(c1nc3c4cccnc4c4ncccc4c3[nH]1)=C2 ZINC000586907141 FI Annotated Bother N#Cc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586907153 FI Annotated Mild N#Cc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586907155 FI Annotated Mild Oc1cccc2c1OCC(c1nc3cc4nc5ccccc5nc4cc3[nH]1)=C2 ZINC000586907280 FI Annotated Bother O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586907349 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586907358 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586907384 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586907387 FI Annotated Anodyne Cc1c(Br)ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586907540 FI Annotated Anodyne Cc1c(Br)ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586907554 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907691 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907692 FI Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)ccc21 ZINC000586907708 FI Annotated Reactive Nc1ccc(-c2ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3c2)cc1N ZINC000586907728 FI Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(F)c(Br)cc3[nH]1)=C2 ZINC000586907853 FI Annotated Anodyne Cc1cc(Br)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586908197 FI Annotated Anodyne Cc1cc(Br)cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586908200 FI Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(F)c(C(F)(F)F)cc3[nH]1)=C2 ZINC000586908214 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586908551 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586908553 FI Annotated Anodyne Clc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2n1 ZINC000586908588 FI Annotated Mild Clc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2n1 ZINC000586908592 FI Annotated Mild Oc1cccc2c1OCC(c1nc3c(F)c(Br)ccc3[nH]1)=C2 ZINC000586908627 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586908663 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586908666 FI Annotated Anodyne Cc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586908672 FI Annotated Anodyne Cc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586908675 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586908699 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586908700 FI Annotated Anodyne Cc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br ZINC000586908741 FI Annotated Anodyne Cc1cc(Br)cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 ZINC000586908769 FI Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(F)cc(Br)cc3[nH]1)=C2 ZINC000586908801 FI Annotated Anodyne Cc1c(Br)ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 ZINC000586908845 FI Annotated Anodyne CC(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586908932 FI Annotated Mild CC(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586908934 FI Annotated Mild Clc1ccnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586908956 FI Annotated Mild Clc1ccnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586908957 FI Annotated Mild Fc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1F ZINC000586908998 FI Annotated Mild Fc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1F ZINC000586909000 FI Annotated Mild Clc1cnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586909178 FI Annotated Mild Clc1cnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586909179 FI Annotated Mild Cc1cc(Br)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 ZINC000586909244 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 ZINC000586909246 FI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586909317 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586909320 FI Annotated Anodyne COc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909512 FI Annotated Mild COc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909515 FI Annotated Mild N#Cc1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586909521 FI Annotated Mild N#Cc1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586909527 FI Annotated Mild O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586909602 FI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586909604 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586909655 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586909660 FI Annotated Anodyne N#Cc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1C(F)(F)F ZINC000586909665 FI Annotated Mild N#Cc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1C(F)(F)F ZINC000586909668 FI Annotated Mild Clc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cn1 ZINC000586909825 FI Annotated Mild Clc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cn1 ZINC000586909826 FI Annotated Mild Fc1cc(F)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586910086 FI Annotated Mild Fc1cc(F)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586910087 FI Annotated Mild O=[N+]([O-])c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910118 FI Annotated Mild O=[N+]([O-])c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910119 FI Annotated Mild Fc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1F ZINC000586910157 FI Annotated Mild Fc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1F ZINC000586910158 FI Annotated Mild Clc1nccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910205 FI Annotated Mild Clc1nccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910206 FI Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586910501 FI Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586910502 FI Annotated Mild Cc1cc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c(C)n1 ZINC000586910977 FI Annotated Mild Cc1cc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c(C)n1 ZINC000586910978 FI Annotated Mild COc1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910983 FI Annotated Mild COc1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910984 FI Annotated Mild N#Cc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586911066 FI Annotated Mild N#Cc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586911067 FI Annotated Mild CC(C)CCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586911201 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586911205 FI Annotated Anodyne CC1(C)COc2c(-c3nc4c(F)cnc(Br)c4[nH]3)cccc21 ZINC000586911374 FI Annotated Anodyne Clc1cncc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586911399 FI Annotated Mild Clc1cncc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586911400 FI Annotated Mild O=[N+]([O-])c1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586911439 FI Annotated Mild O=[N+]([O-])c1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586911440 FI Annotated Mild COc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1F ZINC000586911468 FI Annotated Mild COc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1F ZINC000586911471 FI Annotated Mild CCOC(=O)Cc1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 ZINC000586911676 FI Annotated Anodyne Oc1ccc(C2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586911868 FI Annotated Anodyne Brc1cc2[nH]c([C@@H]3CCOC3)nc2cc1OCc1ccccc1 ZINC000586911963 FI Annotated Anodyne Brc1cc2[nH]c([C@H]3CCOC3)nc2cc1OCc1ccccc1 ZINC000586911965 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cccc4c3OCC4(C)C)nc12 ZINC000586912012 FI Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586912058 FI Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586912060 FI Annotated Anodyne Cc1nc2[nH]c(-c3cccc4c3OCC4(C)C)nc2cc1Br ZINC000586912395 FI Annotated Anodyne Oc1ccc(C2(c3nc4cccc(Br)c4[nH]3)CCOCC2)cc1 ZINC000586912552 FI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CCOCC2)cc1 ZINC000586912573 FI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586912586 FI Annotated Anodyne Cc1ccc2c(ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c32)n1 ZINC000586912629 FI Annotated Anodyne CC1(C)COc2c(-c3nc4ccc(Br)c(O)c4[nH]3)cccc21 ZINC000586912820 FI Annotated Anodyne CC1(C)COc2c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cccc21 ZINC000586912922 FI Annotated Anodyne CC(C)(C)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2n1 ZINC000586912927 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc4c3OCC4(C)C)nc2c1 ZINC000586912970 FI Annotated Anodyne Oc1ccc(C2(c3nc4ccc(C(F)(F)F)cc4[nH]3)CCOCC2)cc1 ZINC000586913067 FI Annotated Anodyne Oc1ccc(C2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CCOCC2)cc1 ZINC000586913081 FI Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Br)cc4[nH]3)CCOCC2)cc1 ZINC000586913103 FI Annotated Anodyne COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Cl ZINC000586913122 FI Annotated Anodyne O[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCOCC1 ZINC000586913785 FI Annotated Anodyne O[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCOCC1 ZINC000586913786 FI Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5=COCC5)[nH]c4c3)o2)cc1 ZINC000586913911 FI Annotated Anodyne CC(C)Oc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913960 FI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CCOCC2)cc1 ZINC000586914005 FI Annotated Anodyne Oc1ccc(C2(c3nc4cccc(C(F)(F)F)c4[nH]3)CCOCC2)cc1 ZINC000586914008 FI Annotated Anodyne COc1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586914452 FI Annotated Anodyne N#Cc1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586914456 FI Annotated Mild Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586914568 FI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586914954 FI Annotated Clean CC[C@H]1OCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586914955 FI Annotated Clean CC[C@H]1OCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586914956 FI Annotated Clean CC[C@@H]1OCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586914957 FI Annotated Clean CC(C)COc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br ZINC000586915078 FI Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C3CC4(COC4)C3)nc2c1 ZINC000586915326 FI Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586915909 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586915930 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586915934 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586915936 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586915938 FI Annotated Anodyne CC(C)Oc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br ZINC000586916110 FI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4CC5(COC5)C4)[nH]c3c2)cc1 ZINC000586916180 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586916488 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586916491 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586916493 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586916494 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586916495 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586916496 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586916498 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586916499 FI Annotated Anodyne N#Cc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1C(F)(F)F ZINC000586916555 FI Annotated Mild Cc1cc(Br)cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc12 ZINC000586916573 FI Annotated Anodyne O[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCOCC1 ZINC000586916645 FI Annotated Anodyne O[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCOCC1 ZINC000586916649 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586916651 FI Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586916653 FI Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586916655 FI Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586916657 FI Annotated Mild Cc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br ZINC000586916680 FI Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2c1 ZINC000586916683 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000586916690 FI Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc12 ZINC000586916691 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000586916696 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000586916699 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000586916702 FI Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586916838 FI Annotated Anodyne FC(F)(F)c1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br ZINC000586916922 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000586917006 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000586917009 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000586917011 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000586917012 FI Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1 ZINC000586917399 FI Annotated Clean COc1ccc2c(C)c(CCc3nc4cccc(C)c4[nH]3)c(=O)oc2c1C ZINC000586917410 FI Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1C ZINC000586917439 FI Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cn1 ZINC000586917820 FI Annotated Anodyne CCCOc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br ZINC000586917964 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000586917966 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000586917968 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000586917973 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000586917977 FI Annotated Anodyne CCCCOc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br ZINC000586917980 FI Annotated Anodyne C[C@@H]1O[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586918190 FI Annotated Anodyne O=c1ccc2cc(-c3nc4cc(F)c(Br)cc4[nH]3)ccc2o1 ZINC000586918260 FI Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)cc(F)cc4[nH]3)ccc2o1 ZINC000586918289 FI Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586918399 FI Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 ZINC000586918435 FI Annotated Anodyne c1ccc2c(c1)OC[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 ZINC000586918454 FI Annotated Bother COc1ccc2c(C)c(CCc3nc4ccc(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918517 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586918584 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586918585 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586918587 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586918588 FI Annotated Anodyne O=c1ccc2cc(-c3nc4c(F)c(Br)ccc4[nH]3)ccc2o1 ZINC000586918628 FI Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)c(F)ccc4[nH]3)ccc2o1 ZINC000586918684 FI Annotated Anodyne O=c1ccc2cc(-c3nc4c(F)cc(Br)cc4[nH]3)ccc2o1 ZINC000586918771 FI Annotated Anodyne Fc1c(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1F ZINC000586918841 FI Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(C)cc4[nH]3)c(=O)oc2c1C ZINC000586918958 FI Annotated Anodyne Clc1cc(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586918986 FI Annotated Anodyne c1ccc2c(c1)OC[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 ZINC000586919053 FI Annotated Bother O=c1ccc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2o1 ZINC000586919097 FI Annotated Bother Cc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Cl ZINC000586920321 FI Annotated Anodyne Cc1c(Cl)ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586920323 FI Annotated Anodyne Cc1cc(Cl)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586920875 FI Annotated Anodyne N#Cc1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586921169 FI Annotated Mild O=S(=O)(Cc1ccccc1-c1nc2cccc(F)c2[nH]1)c1ccccc1 ZINC000586921668 FI Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586921979 FI Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586923172 FI Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 ZINC000586924112 FI Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 ZINC000586924113 FI Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCCC1 ZINC000586924212 FI Annotated Anodyne O=S(=O)(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000586924283 FI Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(C)c2[nH]1 ZINC000586924352 FI Annotated Unstable O=S(=O)(/C=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924372 FI Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924375 FI Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1 ZINC000586924616 FI Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1 ZINC000586924617 FI Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 ZINC000586924665 FI Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 ZINC000586924666 FI Annotated Anodyne O=S(=O)(/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586925232 FI Annotated Anodyne O=S(=O)(/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586925234 FI Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCCC1 ZINC000586925424 FI Annotated Anodyne CCc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926500 FI Annotated Unstable CCc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926553 FI Annotated Unstable Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1C ZINC000586926773 FI Annotated Unstable CCc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926882 FI Annotated Unstable CCc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926983 FI Annotated Unstable Cc1cc(F)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586926985 FI Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(F)c3[nH]2)c1Cl ZINC000586927464 FI Annotated Unstable COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1C ZINC000586927474 FI Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl ZINC000586927485 FI Annotated Unstable Cc1cc(F)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 ZINC000586927564 FI Annotated Unstable CCc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927743 FI Annotated Unstable CCc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927794 FI Annotated Unstable Cc1cc(C)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586927804 FI Annotated Unstable Cc1cc(C)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 ZINC000586927827 FI Annotated Unstable C=CCc1cccc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586927977 FI Annotated Unstable Cc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1C ZINC000586927985 FI Annotated Unstable Cc1ccc(C)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12 ZINC000586928016 FI Annotated Unstable COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1C ZINC000586928179 FI Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1Cl ZINC000586928230 FI Annotated Unstable Cc1ccc(C)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc12 ZINC000586928243 FI Annotated Unstable Cc1cc(-c2nc3c(ccc4ncccc43)[nH]2)ccc1S(=O)(=O)Cl ZINC000586928270 FI Annotated Unstable Cc1cc(-c2nc3c(cnc4ccccc43)[nH]2)ccc1S(=O)(=O)Cl ZINC000586928301 FI Annotated Unstable Cc1ccc2c(ccc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc32)n1 ZINC000586928337 FI Annotated Unstable Cc1cc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928348 FI Annotated Unstable Cc1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)ccc1S(=O)(=O)Cl ZINC000586928370 FI Annotated Unstable Cc1cc(-c2nc3c(C)c(Cl)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928403 FI Annotated Unstable Cc1cc(-c2nc3c(F)cc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928407 FI Annotated Unstable COc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c12 ZINC000586928554 FI Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C)c3[nH]2)c1Cl ZINC000586928775 FI Annotated Unstable COc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 ZINC000586928880 FI Annotated Unstable Cc1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c(C)n1 ZINC000586928948 FI Annotated Unstable CCCCS(=O)(=O)N[C@@H](c1nc2cc3ccccc3cc2[nH]1)C(C)C ZINC000586932191 FI Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3ccccc3cc2[nH]1)C(C)C ZINC000586932192 FI Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C ZINC000586933023 FI Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C ZINC000586933029 FI Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C ZINC000586933794 FI Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C ZINC000586933795 FI Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(S(=O)(=O)N[C@@H](C)CC)cc3)nc12 ZINC000586939733 FI Annotated Mild C=CCc1cccc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)CC)cc3)nc12 ZINC000586939736 FI Annotated Mild CC(C)S(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 ZINC000586950446 FI Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 ZINC000586951072 FI Annotated Mild CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 ZINC000586951335 FI Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586957901 FI Annotated Anodyne CC(C)(SCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O ZINC000586958320 FI Annotated Anodyne CC(C)(SCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000586958357 FI Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586958425 FI Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586958515 FI Annotated Anodyne Cc1ccnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586958525 FI Annotated Anodyne Cc1ccnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586958527 FI Annotated Anodyne O=[S@](Cc1nc2cccc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958649 FI Annotated Anodyne O=[S@@](Cc1nc2cccc(O)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958650 FI Annotated Anodyne CC(C)(SCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)O ZINC000586958774 FI Annotated Clean Cc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000586959103 FI Annotated Anodyne Cc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000586959105 FI Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)CC1CC1 ZINC000586959192 FI Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)CC1CC1 ZINC000586959195 FI Annotated Anodyne CC(C)(SCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O ZINC000586959269 FI Annotated Anodyne N#Cc1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586959727 FI Annotated Mild N#Cc1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586959731 FI Annotated Mild CC(C)(SCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000586959752 FI Annotated Anodyne CC(C)(SCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O ZINC000586959814 FI Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586960062 FI Annotated Anodyne Cc1cnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586960237 FI Annotated Anodyne Cc1cnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586960238 FI Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586960652 FI Annotated Anodyne CC(C)(SCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O ZINC000586960731 FI Annotated Anodyne O=[S@@](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)CC1CC1 ZINC000586960744 FI Annotated Anodyne O=[S@](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)CC1CC1 ZINC000586960748 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586960817 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586960828 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586960857 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586960858 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586960867 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586960876 FI Annotated Anodyne Cc1c(Br)cc2nc(CSC(C)(C)C(=O)O)[nH]c2c1C ZINC000586960912 FI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586960927 FI Annotated Bother C[C@@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586960929 FI Annotated Bother CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586960961 FI Annotated Anodyne N#Cc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586961147 FI Annotated Mild N#Cc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586961149 FI Annotated Mild O=[S@](Cc1nc2ccc(O)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961212 FI Annotated Anodyne O=[S@@](Cc1nc2ccc(O)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961213 FI Annotated Anodyne O=[S@](Cc1nc2cc(F)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961283 FI Annotated Anodyne O=[S@@](Cc1nc2cc(F)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961286 FI Annotated Anodyne Cc1nccc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586961492 FI Annotated Anodyne Cc1nccc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586961493 FI Annotated Anodyne Cc1cncc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961540 FI Annotated Anodyne Cc1cncc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961542 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586961544 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586961546 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586961704 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586961707 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586961822 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586961824 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586962091 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586962093 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586962298 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586962299 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586962444 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586962457 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586962507 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586962512 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586962562 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586962563 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586962694 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586962696 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586962782 FI Annotated Bother C[C@H](Sc1ncccn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586962784 FI Annotated Bother C[C@@H](Sc1ncccn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586962892 FI Annotated Bother C[C@H](Sc1ncccn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586962893 FI Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586963138 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586963141 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586963159 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586963160 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586963168 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586963170 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586963200 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586963202 FI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586963297 FI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586963298 FI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)SCc3ccccc3)nc2cc1OC ZINC000586963397 FI Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)SCc3ccccc3)nc2cc1OC ZINC000586963398 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586963409 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586963410 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586963417 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586963418 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586963430 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586963431 FI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586963507 FI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586963508 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586963616 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586963619 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586963679 FI Annotated Mild CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586963680 FI Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586963887 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586963888 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586964056 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586964057 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586964286 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586964287 FI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586964304 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586964306 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3ccccc3C#N)nc12 ZINC000586964333 FI Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586964341 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586964342 FI Annotated Anodyne Cc1nc2[nH]c(CSc3ccccc3C#N)nc2cc1Br ZINC000586964372 FI Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586964397 FI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586964401 FI Annotated Anodyne N#Cc1ccccc1SCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586964452 FI Annotated Mild COC(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1OC ZINC000586964457 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1OC ZINC000586964459 FI Annotated Anodyne N#Cc1ccccc1SCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586964487 FI Annotated Mild Cc1ccc(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1 ZINC000586964523 FI Annotated Bother N#Cc1cc(Br)c2[nH]c(CSc3ccccc3C#N)nc2c1 ZINC000586964888 FI Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cc(Cl)cnc4[nH]3)n2C)cc1 ZINC000586964954 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(F)c(C)c4[nH]3)n2C)cc1 ZINC000586964959 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(Cl)nc4[nH]3)n2C)cc1 ZINC000586964995 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cncc(Cl)c4[nH]3)n2C)cc1 ZINC000586965044 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(F)cc4[nH]3)n2C)cc1 ZINC000586965056 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(F)c(F)c4[nH]3)n2C)cc1 ZINC000586965191 FI Annotated Anodyne Cc1ccc(SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1 ZINC000586965199 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccnc(Cl)c4[nH]3)n2C)cc1 ZINC000586965202 FI Annotated Anodyne COC(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1OC ZINC000586965208 FI Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3ccc(C)cc3C)nc2cc1OC ZINC000586965434 FI Annotated Anodyne N#Cc1ccccc1SCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586965462 FI Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cc(Cl)ncc4[nH]3)n2C)cc1 ZINC000586965550 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(Cl)ccnc4[nH]3)n2C)cc1 ZINC000586965733 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C)cc(F)c4[nH]3)n2C)cc1 ZINC000586965769 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C)c(F)cc4[nH]3)n2C)cc1 ZINC000586965807 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(F)cc(F)c4[nH]3)n2C)cc1 ZINC000586965853 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccc(O)c3[nH]2)c(C)c1 ZINC000586966019 FI Annotated Anodyne COc1nccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c12 ZINC000586966091 FI Annotated Anodyne COc1cncc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c12 ZINC000586966100 FI Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c32)n1 ZINC000586966381 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(CO)cc3[nH]2)c(C)c1 ZINC000586966453 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(Cl)ncnc3[nH]2)c(C)c1 ZINC000586966498 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3nc(Cl)c[nH]c-3n2)c(C)c1 ZINC000586966510 FI Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 ZINC000586966559 FI Annotated Anodyne Oc1cc(O)nc(SCc2nc3c4ccccc4c4ccccc4c3[nH]2)n1 ZINC000586966588 FI Annotated Bother CCc1cc(O)nc(SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)n1 ZINC000586966601 FI Annotated Anodyne COc1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2n1 ZINC000586966732 FI Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000586966769 FI Annotated Anodyne COc1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2cn1 ZINC000586966880 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(F)cnc3[nH]2)c(C)c1 ZINC000586966886 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(O)cc3[nH]2)c(C)c1 ZINC000586966889 FI Annotated Anodyne Fc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1Cl ZINC000586966912 FI Annotated Anodyne Fc1cc(Cl)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966922 FI Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586966951 FI Annotated Anodyne c1cncc(-c2noc(SCc3nc4ccc5c(c4[nH]3)CCCC5)n2)c1 ZINC000586966967 FI Annotated Anodyne CC(C)Oc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966991 FI Annotated Anodyne Cc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Cl ZINC000586967006 FI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cnc(Cl)[nH]c-3n2)c(C)c1 ZINC000586967146 FI Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967187 FI Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586967230 FI Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967294 FI Annotated Anodyne CSc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586967332 FI Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1 ZINC000586967372 FI Annotated Anodyne c1cncc(-c2noc(SCc3nc4cc5ccccc5cc4[nH]3)n2)c1 ZINC000586967381 FI Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586967446 FI Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586967476 FI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(O)cc3[nH]2)cc1Cl ZINC000586967590 FI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cncc(C)c3[nH]2)cc1Cl ZINC000586967916 FI Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(C)nccc3[nH]2)cc1Cl ZINC000586968064 FI Annotated Anodyne Cc1cnc2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 ZINC000586968103 FI Annotated Anodyne Cc1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2n1 ZINC000586968116 FI Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586968384 FI Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586968404 FI Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586968479 FI Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3cccc(O)c3[nH]2)cc1Cl ZINC000586968529 FI Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586969053 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)CSC)nc2c1 ZINC000586969789 FI Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586969879 FI Annotated Bother [O-][n+]1ccccc1SCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586970093 FI Annotated Anodyne Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586970227 FI Annotated Bother [O-][n+]1ccccc1SCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586970279 FI Annotated Anodyne Cc1ccc(CSCCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586970351 FI Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586970386 FI Annotated Anodyne COC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1OC ZINC000586970476 FI Annotated Anodyne Cc1ccc(CSCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586970515 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 ZINC000586970542 FI Annotated Anodyne Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586970624 FI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586971211 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586971214 FI Annotated Reactive CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586971267 FI Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586971287 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586971288 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cccc(Br)c2[nH]1 ZINC000586971293 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cccc(Br)c2[nH]1 ZINC000586971294 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(Br)cc2[nH]1 ZINC000586971296 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(Br)cc2[nH]1 ZINC000586971297 FI Annotated Reactive CCCCOc1cc2nc(CBr)[nH]c2cc1Br ZINC000586971317 FI Annotated Reactive CC(C)COc1cc2nc(CBr)[nH]c2cc1Br ZINC000586971416 FI Annotated Reactive COC(=O)c1cc2[nH]c(CCSCc3ccc(C)cc3)nc2cc1OC ZINC000586971507 FI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586971590 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586971592 FI Annotated Reactive CCCC(Br)(CCC)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586971623 FI Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586971625 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586971626 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586971648 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586971649 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586971718 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586971719 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586971770 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586971773 FI Annotated Reactive CCCC(Br)(CCC)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586971777 FI Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586971789 FI Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586971790 FI Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586971800 FI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586971802 FI Annotated Reactive CCCC(Br)(CCC)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586971806 FI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586971855 FI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586971856 FI Annotated Reactive Fc1cc(Br)cc2nc(CCCCBr)[nH]c12 ZINC000586971921 FI Annotated Reactive Clc1ncc(Br)c2nc(CCCCBr)[nH]c12 ZINC000586971932 FI Annotated Reactive COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2n1 ZINC000586971958 FI Annotated Bother Fc1c(Br)cc2nc(CCCCBr)[nH]c2c1F ZINC000586971967 FI Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586972018 FI Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(CBr)nc2c1 ZINC000586972023 FI Annotated Reactive FC(F)(F)c1c(Br)ccc2nc(CBr)[nH]c12 ZINC000586972054 FI Annotated Reactive Fc1c(Br)ccc2nc(CCCCBr)[nH]c12 ZINC000586972144 FI Annotated Reactive FC(F)(F)c1cc2nc(CBr)[nH]c2cc1Br ZINC000586972200 FI Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586972228 FI Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586972230 FI Annotated Anodyne BrCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586972247 FI Annotated Reactive Nc1ccc(-c2ccc3nc(CCCCBr)[nH]c3c2)cc1N ZINC000586972317 FI Annotated Reactive Clc1c(Br)cnc2[nH]c(CCCCBr)nc12 ZINC000586972361 FI Annotated Reactive Clc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 ZINC000586972385 FI Annotated Reactive Clc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 ZINC000586972386 FI Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(CBr)[nH]c12 ZINC000586972390 FI Annotated Reactive Fc1cc2[nH]c(CCCCBr)nc2cc1Br ZINC000586972414 FI Annotated Reactive FC(F)(F)c1cc(Br)c2[nH]c(CBr)nc2c1 ZINC000586972430 FI Annotated Reactive Fc1cc(Br)c2[nH]c(CCCCBr)nc2c1 ZINC000586972466 FI Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc(CBr)[nH]c3c2)cc1 ZINC000586972470 FI Annotated Reactive FC(F)(F)Oc1cc2nc(CBr)[nH]c2cc1Br ZINC000586972500 FI Annotated Reactive BrCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586972519 FI Annotated Reactive FC(F)(F)C(F)(F)c1cc2nc(CCCCBr)[nH]c2cn1 ZINC000586972523 FI Annotated Reactive FC(F)(F)c1cc(Br)cc2nc(CBr)[nH]c12 ZINC000586972571 FI Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586972599 FI Annotated Bother Clc1cc(Br)cc2nc(/C=C/CBr)[nH]c12 ZINC000586972632 FI Annotated Reactive Clc1cc(Br)cc2nc(/C=C\CBr)[nH]c12 ZINC000586972633 FI Annotated Reactive Fc1ccc2nc(CCCCBr)[nH]c2c1Br ZINC000586972689 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586972978 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586972980 FI Annotated Reactive Fc1c(Br)cc2nc(/C=C/CBr)[nH]c2c1F ZINC000586973002 FI Annotated Reactive Fc1c(Br)cc2nc(/C=C\CBr)[nH]c2c1F ZINC000586973005 FI Annotated Reactive COc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cn1 ZINC000586973012 FI Annotated Bother C[C@H](c1ccc(CBr)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586973017 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586973018 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586973028 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586973029 FI Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cc(C)c2[nH]1 ZINC000586973039 FI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cc(C)c2[nH]1 ZINC000586973043 FI Annotated Anodyne COc1nccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 ZINC000586973080 FI Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cc(F)c2[nH]1 ZINC000586973097 FI Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cc(F)c2[nH]1 ZINC000586973098 FI Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586973114 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586973116 FI Annotated Reactive COC(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 ZINC000586973257 FI Annotated Reactive COC(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 ZINC000586973259 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586973351 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586973352 FI Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586973452 FI Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)c(F)cc2[nH]1 ZINC000586973582 FI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)c(F)cc2[nH]1 ZINC000586973584 FI Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586973600 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586973601 FI Annotated Reactive COc1cncc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 ZINC000586973629 FI Annotated Bother C=CCc1cccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c12 ZINC000586973866 FI Annotated Mild C=CCc1cccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c12 ZINC000586973867 FI Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(/C=C/CBr)[nH]c2cn1 ZINC000586973949 FI Annotated Reactive FC(F)(F)C(F)(F)c1cc2nc(/C=C\CBr)[nH]c2cn1 ZINC000586973968 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586974084 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586974086 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586974091 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586974092 FI Annotated Reactive N=c1[nH]ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586974141 FI Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586974270 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586974271 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586974272 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586974273 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586974286 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586974287 FI Annotated Reactive COC(=O)c1cccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586974516 FI Annotated Reactive COC(=O)c1cccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586974518 FI Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C)c(C)c2[nH]1 ZINC000586974619 FI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C)c(C)c2[nH]1 ZINC000586974621 FI Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)ccc(C)c2[nH]1 ZINC000586974624 FI Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)ccc(C)c2[nH]1 ZINC000586974625 FI Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586974640 FI Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(F)c(C)c2[nH]1 ZINC000586974642 FI Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(F)c(C)c2[nH]1 ZINC000586974644 FI Annotated Anodyne Nc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1N ZINC000586974687 FI Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 ZINC000586974702 FI Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586974744 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586974745 FI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586974776 FI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586974777 FI Annotated Reactive Oc1nccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586975234 FI Annotated Anodyne N=c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c[nH]1 ZINC000586975297 FI Annotated Anodyne Cc1cc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1Br ZINC000586975310 FI Annotated Bother COc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1OC ZINC000586975332 FI Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3ccc(Br)c(C)c3)nc2c1 ZINC000586975558 FI Annotated Anodyne Cc1cc(Cc2nc3c(F)cnc(Cl)c3[nH]2)ccc1Br ZINC000586975811 FI Annotated Anodyne Oc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586975823 FI Annotated Anodyne Cc1cc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1Br ZINC000586975888 FI Annotated Anodyne Clc1ccc(OCc2nc3c(Cl)ncnc3[nH]2)c(Br)c1 ZINC000586976027 FI Annotated Anodyne CCc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1Br ZINC000586976129 FI Annotated Anodyne Cc1cc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1Br ZINC000586976379 FI Annotated Mild Cc1cc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Br ZINC000586976455 FI Annotated Anodyne CCc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1Br ZINC000586976465 FI Annotated Mild Fc1cnc2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586976484 FI Annotated Anodyne CCc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1Br ZINC000586976502 FI Annotated Anodyne CCc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1Br ZINC000586976505 FI Annotated Anodyne CCc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1Br ZINC000586976559 FI Annotated Anodyne COC(=O)c1cccc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 ZINC000586977003 FI Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 ZINC000586977042 FI Annotated Anodyne Cc1cc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Br ZINC000586977199 FI Annotated Bother CCOc1cc(/C=C\c2nc3cccnc3[nH]2)cc(Br)c1OC ZINC000586977268 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3cccnc3[nH]2)cc(Br)c1OC ZINC000586977269 FI Annotated Anodyne CCc1ccc(-c2nc3cccc(C(=O)OC)c3[nH]2)cc1Br ZINC000586977354 FI Annotated Anodyne CCc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Br ZINC000586977364 FI Annotated Anodyne N#Cc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586977372 FI Annotated Mild COc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)ccc1Br ZINC000586977439 FI Annotated Anodyne COc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)ccc1Br ZINC000586977444 FI Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)ccc1Br ZINC000586977481 FI Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)ccc1Br ZINC000586977484 FI Annotated Anodyne COc1cc(/C=C/c2nc3cccc(C#N)c3[nH]2)ccc1Br ZINC000586977907 FI Annotated Mild COc1cc(/C=C\c2nc3cccc(C#N)c3[nH]2)ccc1Br ZINC000586977908 FI Annotated Mild N#Cc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586977938 FI Annotated Mild COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br ZINC000586977940 FI Annotated Bother COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br ZINC000586977941 FI Annotated Bother COc1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Br ZINC000586977952 FI Annotated Anodyne COc1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Br ZINC000586977953 FI Annotated Anodyne CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Br ZINC000586977986 FI Annotated Anodyne OCc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586978014 FI Annotated Anodyne Oc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586978029 FI Annotated Anodyne COc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586978043 FI Annotated Bother COc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586978044 FI Annotated Bother Cc1cc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Br ZINC000586978090 FI Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 ZINC000586978153 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3cnccc3[nH]2)cc(Br)c1OC ZINC000586978337 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3cnccc3[nH]2)cc(Br)c1OC ZINC000586978338 FI Annotated Anodyne Cc1nn(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1Br ZINC000586978666 FI Annotated Anodyne Cc1nn(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)c1Br ZINC000586978691 FI Annotated Anodyne Cc1nn(Cc2nc3cccc(C(C)(C)C)c3[nH]2)c(C)c1Br ZINC000586978712 FI Annotated Anodyne Cc1ccc2c(ccc3nc(Cn4nc(C)c(Br)c4C)[nH]c32)n1 ZINC000586978718 FI Annotated Anodyne Cc1ncc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C)c1Br ZINC000586978791 FI Annotated Anodyne Cc1ncc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(C)c1Br ZINC000586978804 FI Annotated Anodyne Cc1nn(Cc2nc3ccc4c(c3[nH]2)CCCC4)c(C)c1Br ZINC000586978827 FI Annotated Anodyne Cc1nn(Cc2nc3cc4ccccc4cc3[nH]2)c(C)c1Br ZINC000586978856 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Cl)c(C)c3[nH]2)c1Br ZINC000586978869 FI Annotated Anodyne Cc1ncc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)c1Br ZINC000586978879 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C)c(Cl)cc3[nH]2)c1Br ZINC000586978887 FI Annotated Anodyne Cc1ncc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)c1Br ZINC000586978954 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F ZINC000586978960 FI Annotated Bother Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1Br ZINC000586978987 FI Annotated Anodyne Cc1ncc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)c1Br ZINC000586979013 FI Annotated Anodyne Cc1nn(Cc2nc3ccc(Cl)c(C)c3[nH]2)c(C)c1Br ZINC000586979123 FI Annotated Anodyne Cc1nn(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586979129 FI Annotated Anodyne Cc1nn(Cc2nc3cc(Cl)cc(C)c3[nH]2)c(C)c1Br ZINC000586979142 FI Annotated Anodyne COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1OC ZINC000586979160 FI Annotated Anodyne COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1F ZINC000586979176 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)cc(C)c3[nH]2)c1Br ZINC000586979184 FI Annotated Anodyne Cc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Cl ZINC000586979217 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979243 FI Annotated Anodyne Cc1nn(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1Br ZINC000586979284 FI Annotated Anodyne Cc1ncc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)c1Br ZINC000586979308 FI Annotated Anodyne Cc1c(-c2nc3ccc(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979338 FI Annotated Bother Cc1ncc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)c1Br ZINC000586979349 FI Annotated Bother CC(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000586979398 FI Annotated Bother Cc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979410 FI Annotated Bother Cc1c(-c2nc3ccnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979462 FI Annotated Bother CCOc1n[nH]c(-c2nc3cc4ccccc4cc3[nH]2)c1Br ZINC000586979606 FI Annotated Anodyne Cc1c(-c2nc3cc(Cl)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979640 FI Annotated Bother COc1cc(OC)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 ZINC000586979666 FI Annotated Anodyne Cc1c(-c2nc3cccc(C#N)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979679 FI Annotated Mild Cc1c(-c2nc3cc(F)cc(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979700 FI Annotated Bother COc1cccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c12 ZINC000586979722 FI Annotated Bother Cc1cc2[nH]c(-c3cnc(C)c(Br)c3C)nc2cc1[N+](=O)[O-] ZINC000586979802 FI Annotated Bother COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1C ZINC000586979814 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccnc(Cl)c3Br)nc12 ZINC000586979833 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1[N+](=O)[O-] ZINC000586979834 FI Annotated Bother Cc1c(-c2nc3c(Cl)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979924 FI Annotated Bother Cc1c(-c2nc3ccc(Cl)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979925 FI Annotated Bother Fc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2c(F)c1F ZINC000586979930 FI Annotated Anodyne COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1OC ZINC000586979949 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccnc(Cl)c3Br)nc12 ZINC000586979952 FI Annotated Anodyne Cc1c(-c2nc3cncc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979968 FI Annotated Bother CCOc1n[nH]c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1Br ZINC000586980053 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c(C)n1 ZINC000586980060 FI Annotated Bother Sc1nc(S)c2nc(-c3cc(Br)ccc3Cl)[nH]c2n1 ZINC000586980353 FI Annotated Anodyne Cc1c(-c2nc3ccc(C#N)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980354 FI Annotated Mild Cc1c(-c2nc3cc(Cl)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980392 FI Annotated Bother CCOc1n[nH]c(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1Br ZINC000586980418 FI Annotated Anodyne Cc1c(-c2nc3cc(F)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980458 FI Annotated Bother N[C@H](N=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 ZINC000586980525 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 ZINC000586980526 FI Annotated Anodyne OCCc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 ZINC000586980531 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586980566 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(Cl)nc2[nH]1 ZINC000586980578 FI Annotated Anodyne CC(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 ZINC000586980638 FI Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2ccncc2[nH]1 ZINC000586980702 FI Annotated Anodyne COc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1F ZINC000586980932 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586981006 FI Annotated Bother Cc1cc(Br)ccc1OCc1nc2c(Cl)ccnc2[nH]1 ZINC000586981013 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586981044 FI Annotated Bother Cc1cc(Br)ccc1OCc1nc2cncc(Cl)c2[nH]1 ZINC000586981091 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1 ZINC000586981350 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)cc(C=O)c3)nc2cc1[N+](=O)[O-] ZINC000586981390 FI Annotated Bother O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586981418 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(F)cc(F)c2[nH]1 ZINC000586981465 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccnc(Cl)c2[nH]1 ZINC000586981516 FI Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nccc2[nH]1 ZINC000586981531 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(F)c(F)cc2[nH]1 ZINC000586981591 FI Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(N)ncnc2[nH]1 ZINC000586981777 FI Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(N)ncnc2[nH]1 ZINC000586981781 FI Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cnncc2[nH]1 ZINC000586981784 FI Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cnncc2[nH]1 ZINC000586981785 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Cl)cnc2[nH]1 ZINC000586981821 FI Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2ncccc2[nH]1 ZINC000586981844 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Cl)ncc2[nH]1 ZINC000586981846 FI Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2nccc(N)c2[nH]1 ZINC000586981848 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586982039 FI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(F)c(F)c2[nH]1 ZINC000586982053 FI Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cnncc2[nH]1 ZINC000586982143 FI Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586982183 FI Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cncnc2[nH]1 ZINC000586982431 FI Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ncc[nH]c-2n1 ZINC000586982459 FI Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586982523 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 ZINC000586982656 FI Annotated Mild O=Cc1cc(Br)cc(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000586983034 FI Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cncnc2[nH]1 ZINC000586983119 FI Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cncnc2[nH]1 ZINC000586983120 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 ZINC000586983167 FI Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ncc[nH]c-2n1 ZINC000586983207 FI Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ncc[nH]c-2n1 ZINC000586983208 FI Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Cl ZINC000586983247 FI Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586983254 FI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586983353 FI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586983356 FI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586983383 FI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586983384 FI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(Cl)c2[nH]1 ZINC000586983413 FI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(Cl)c2[nH]1 ZINC000586983414 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3CBr ZINC000586983659 FI Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3CBr ZINC000586983660 FI Annotated Reactive Cc1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586983751 FI Annotated Anodyne Cc1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586983752 FI Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C)c2[nH]1 ZINC000586983802 FI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586983810 FI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586983812 FI Annotated Anodyne C=CCc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983825 FI Annotated Mild C=CCc1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983844 FI Annotated Mild CSc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984013 FI Annotated Anodyne CSc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984014 FI Annotated Anodyne Cc1ccnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586984127 FI Annotated Anodyne Cc1ccnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586984128 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984152 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984153 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586984327 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586984329 FI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586984367 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C)c2[nH]1)c1ccc(Br)cc1 ZINC000586984368 FI Annotated Anodyne Cc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586984417 FI Annotated Anodyne Cc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586984418 FI Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586984501 FI Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586984503 FI Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCBr)-c1ccccc1C3=O ZINC000586984644 FI Annotated Reactive O=C1c2ccccc2-c2cc(CCCBr)nc3ccc(O)c1c23 ZINC000586984681 FI Annotated Reactive CC(=O)N[C@@H](Cc1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984758 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984760 FI Annotated Anodyne O=C1c2ccccc2-c2c(CCBr)cnc3ccc(O)c1c23 ZINC000586984799 FI Annotated Reactive Cn1cc(Cl)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586984898 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C(Br)=CC3 ZINC000586984971 FI Annotated Anodyne Oc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984975 FI Annotated Anodyne Oc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984978 FI Annotated Anodyne Oc1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984979 FI Annotated Anodyne Oc1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984980 FI Annotated Anodyne Cn1ncc(Cl)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985442 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)nn3)nc3ccc(O)c1c23 ZINC000586985500 FI Annotated Anodyne Cc1c(CBr)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985684 FI Annotated Reactive Cc1nccc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985754 FI Annotated Anodyne Cc1nccc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985756 FI Annotated Anodyne Cc1c(CC(=O)C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985983 FI Annotated Anodyne CCOC(=O)[C@H](F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586985989 FI Annotated Anodyne CCOC(=O)[C@@H](F)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586985990 FI Annotated Anodyne Cn1nccc1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986339 FI Annotated Anodyne Cc1cncc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986363 FI Annotated Anodyne Cc1cncc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586986366 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986390 FI Annotated Anodyne CCn1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cn1 ZINC000586986439 FI Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(N)c1 ZINC000586986546 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Cl)ncn3)nc3ccc(O)c1c23 ZINC000586986611 FI Annotated Anodyne Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1O ZINC000586986664 FI Annotated Anodyne Nc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986694 FI Annotated Anodyne COc1cc(N)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986707 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)C(F)F)CC3 ZINC000586986820 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)C(F)F)CC3 ZINC000586986821 FI Annotated Anodyne Cc1cc(N)c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986875 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586986879 FI Annotated Anodyne Cn1ccc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986934 FI Annotated Anodyne Nc1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987054 FI Annotated Anodyne COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1N ZINC000586987167 FI Annotated Anodyne Nc1ccc(O)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987187 FI Annotated Anodyne Cc1c(-c2cnn(C)c2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987208 FI Annotated Anodyne Nc1cccc2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586987210 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccncc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586987214 FI Annotated Bother Cc1nn(C)cc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586987229 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccnc(Cl)n3)nc3ccc(O)c1c23 ZINC000586987242 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(Cl)cn3)nc3ccc(O)c1c23 ZINC000586987256 FI Annotated Anodyne CCN(CC)CCc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987313 FI Annotated Anodyne CNc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1N ZINC000586987357 FI Annotated Anodyne Cc1ccnc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586987414 FI Annotated Anodyne Cc1nc(O)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987461 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3nccnc3Cl)nc3ccc(O)c1c23 ZINC000586987542 FI Annotated Anodyne Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 ZINC000586987569 FI Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1N ZINC000586987577 FI Annotated Anodyne Nc1c(O)cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987585 FI Annotated Anodyne Nc1ccc2c(c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987590 FI Annotated Anodyne CCO/C(O)=C(/[N+]#N)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987613 FI Annotated Anodyne Nc1cccc2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987626 FI Annotated Anodyne Nc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586987664 FI Annotated Anodyne Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O ZINC000586987685 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncccc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586987697 FI Annotated Bother Nc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O ZINC000586987702 FI Annotated Anodyne Cc1ncn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C ZINC000586987706 FI Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1N ZINC000586987711 FI Annotated Anodyne COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987725 FI Annotated Anodyne CC(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987747 FI Annotated Anodyne Cc1cncc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1 ZINC000586987761 FI Annotated Anodyne Cc1ccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cn1 ZINC000586987787 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1cccnc1C3 ZINC000586987803 FI Annotated Anodyne COc1cnccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987804 FI Annotated Anodyne Cc1cnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 ZINC000586987810 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccncc1CC3 ZINC000586987816 FI Annotated Anodyne COc1cncc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1 ZINC000586987818 FI Annotated Anodyne CCc1nccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987825 FI Annotated Anodyne CCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 ZINC000586987840 FI Annotated Anodyne CCn1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C ZINC000586987875 FI Annotated Anodyne Cc1c(CC[C@@H](C)[N+](=O)[O-])nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987883 FI Annotated Bother Cc1c(CC[C@H](C)[N+](=O)[O-])nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987884 FI Annotated Bother Nc1cccc2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O ZINC000586987901 FI Annotated Anodyne COc1ncccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987952 FI Annotated Anodyne O=C1c2ccccc2-c2cc(CCN3CCCCC3)nc3ccc(O)c1c23 ZINC000586987961 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN(C1CCCC1)CC3 ZINC000586987976 FI Annotated Anodyne COc1cncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586987990 FI Annotated Anodyne CCCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000586988061 FI Annotated Anodyne Cc1cc(C)n(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586988083 FI Annotated Anodyne CC(C)c1c(-c2ncnn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988121 FI Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccccn3)cnc3ccc(O)c1c23 ZINC000586988130 FI Annotated Anodyne Cc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc1 ZINC000586988147 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn4ccccc4n3)nc3ccc(O)c1c23 ZINC000586988162 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn4c(n3)CCCC4)nc3ccc(O)c1c23 ZINC000586988201 FI Annotated Anodyne COc1cc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)ccn1 ZINC000586988241 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cnccc1CC3 ZINC000586988262 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncc(F)cc3F)nc3ccc(O)c1c23 ZINC000586988321 FI Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc1 ZINC000586988366 FI Annotated Anodyne COc1ccnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586988437 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(O)nc1CC3 ZINC000586988469 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc4ccccn34)nc3ccc(O)c1c23 ZINC000586988484 FI Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000586988644 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ncccc1CC3 ZINC000586988645 FI Annotated Anodyne Cc1cc2c(cn1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586988648 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccnc1CC3 ZINC000586988651 FI Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccn1 ZINC000586988663 FI Annotated Anodyne Cc1ccncc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988698 FI Annotated Anodyne O=C1c2ccccc2-c2c(Cc3cncc(F)c3)cnc3ccc(O)c1c23 ZINC000586988798 FI Annotated Anodyne Cc1cccnc1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988837 FI Annotated Anodyne COc1cccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988852 FI Annotated Anodyne Cc1ncc2c(n1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988862 FI Annotated Anodyne Cc1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 ZINC000586988875 FI Annotated Anodyne C[C@H]1CCCN(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586988880 FI Annotated Anodyne C[C@@H]1CCCN(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586988882 FI Annotated Anodyne COc1cccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586988916 FI Annotated Anodyne Cc1cccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586988939 FI Annotated Anodyne CCN(CC)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989008 FI Annotated Anodyne Cc1n[nH]c(C)c1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989188 FI Annotated Anodyne Cc1c(-c2c[nH]c(C(=O)O)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989241 FI Annotated Anodyne C=Cc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]1 ZINC000586989249 FI Annotated Anodyne CCCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989254 FI Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989259 FI Annotated Anodyne CC(C)(C)OC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989260 FI Annotated Anodyne CCc1c(C2CCNCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989331 FI Annotated Anodyne CCOC(=O)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586989373 FI Annotated Anodyne CCOC(=O)[C@H](CC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989394 FI Annotated Anodyne CCOC(=O)[C@@H](CC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989395 FI Annotated Anodyne CCCc1c(C(=O)OCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989469 FI Annotated Anodyne CCOC(=O)Cc1c(C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989470 FI Annotated Anodyne CCOC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCC1 ZINC000586989479 FI Annotated Anodyne CC(C)(C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989506 FI Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H]3CCCCC3=O)nc3ccc(O)c1c23 ZINC000586989510 FI Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H]3CCCCC3=O)nc3ccc(O)c1c23 ZINC000586989511 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CCC(=O)[C@H](C3)C1 ZINC000586989512 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CCC(=O)[C@@H](C3)C1 ZINC000586989513 FI Annotated Anodyne C=CC[C@]1(C)C(=O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989533 FI Annotated Mild C=CC[C@@]1(C)C(=O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989534 FI Annotated Mild O=C(O)CC[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989570 FI Annotated Anodyne O=C(O)CC[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989571 FI Annotated Anodyne C=CC[C@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989664 FI Annotated Mild C=CC[C@@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989665 FI Annotated Mild Cc1nc2ccc(O)c3c2c(c1CC(C)(C)C(=O)O)-c1ccccc1C3=O ZINC000586989785 FI Annotated Anodyne CCOC(=O)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989805 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3[nH]nc4ncccc34)nc3ccc(O)c1c23 ZINC000586989810 FI Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(O)cc3)nc3ccc(O)c1c23 ZINC000586989846 FI Annotated Anodyne CCOC(=O)C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989901 FI Annotated Anodyne CCOC(=O)C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989903 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(O)c3)nc3ccc(O)c1c23 ZINC000586989969 FI Annotated Clean CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C1CC1)-c1ccccc1C3=O ZINC000586989991 FI Annotated Anodyne CC(C)(CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)O ZINC000586990067 FI Annotated Anodyne C[C@]12CCC(=O)C=C1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990095 FI Annotated Mild C[C@@]12CCC(=O)C=C1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990096 FI Annotated Mild COC(=O)C[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990162 FI Annotated Anodyne COC(=O)C[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990165 FI Annotated Anodyne CC[C@@H](C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990173 FI Annotated Anodyne CC[C@H](C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990175 FI Annotated Anodyne CCOC(=O)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990354 FI Annotated Anodyne CCOC(=O)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990356 FI Annotated Anodyne CCc1c(CC(=O)C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990388 FI Annotated Anodyne CC(C)CCOC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990425 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(CCOC1)C3 ZINC000586990482 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(CCOC1)C3 ZINC000586990485 FI Annotated Anodyne CCOC(=O)/C=C(\C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990501 FI Annotated Anodyne CC(C)(C)Cc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990516 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(O)c1C3 ZINC000586990597 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)c(O)cc1C3 ZINC000586990634 FI Annotated Clean CC(C)(CC(=O)O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990649 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)cc3O)nc3ccc(O)c1c23 ZINC000586990652 FI Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](C2CC2)C1)-c1ccccc1C4=O ZINC000586990672 FI Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](C2CC2)C1)-c1ccccc1C4=O ZINC000586990674 FI Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](C=O)C1 ZINC000586990738 FI Annotated Mild CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](C=O)C1 ZINC000586990739 FI Annotated Mild CC(C)O[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586990828 FI Annotated Anodyne CC(C)O[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586990830 FI Annotated Anodyne CCOC(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990895 FI Annotated Anodyne CCOC(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990898 FI Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccco1 ZINC000586990913 FI Annotated Anodyne CC(C)(CCC(=O)O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990943 FI Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCCC(=O)O)-c1ccccc1C3=O ZINC000586990966 FI Annotated Anodyne CC(C)[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990967 FI Annotated Anodyne CC(C)[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990969 FI Annotated Anodyne O=C(O)c1coc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586991062 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(O)cc1C3 ZINC000586991086 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(O)cccc1C3 ZINC000586991245 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(O)c3O)nc3ccc(O)c1c23 ZINC000586991305 FI Annotated Clean O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)ccc1C3 ZINC000586991355 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1cc(O)ccc1C3 ZINC000586991386 FI Annotated Anodyne COC(=O)CCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991391 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(O)ccc3O)nc3ccc(O)c1c23 ZINC000586991439 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CCOCC1)C3 ZINC000586991717 FI Annotated Anodyne CC1(C)[C@@H](C(=O)O)C[C@H]1c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991719 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(O)cc(O)c3)nc3ccc(O)c1c23 ZINC000586991753 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(CCCO1)C3 ZINC000586991826 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(CCCO1)C3 ZINC000586991829 FI Annotated Anodyne O=C(O)CCCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991838 FI Annotated Anodyne CC(=O)C12CC(c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)(C1)C2 ZINC000586991870 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(CO)c3)nc3ccc(O)c1c23 ZINC000586991901 FI Annotated Anodyne C[C@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C=C1CCC2=O ZINC000586991929 FI Annotated Anodyne C[C@@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C=C1CCC2=O ZINC000586991938 FI Annotated Anodyne CCC(=O)OC1=C(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991958 FI Annotated Anodyne CCOC(=O)C(F)(F)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586991969 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1ccc(O)cc1C3 ZINC000586992019 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@@H](O)C3 ZINC000586992061 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@H](O)C3 ZINC000586992065 FI Annotated Anodyne CC(=O)OC1=C(C)c2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586992129 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)cccc3O)nc3ccc(O)c1c23 ZINC000586992264 FI Annotated Anodyne O=C(O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 ZINC000586992349 FI Annotated Anodyne O=C(O)Cc1c(-c2ccco2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992353 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1(CCOCC1)CC3 ZINC000586992375 FI Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)cnc3ccc(O)c1c23 ZINC000586992445 FI Annotated Anodyne Cc1ccc2c3c(cc([C@@H](Cl)C(=O)N(C)C)nc13)-c1ccccc1C2=O ZINC000586992467 FI Annotated Reactive Cc1ccc2c3c(cc([C@H](Cl)C(=O)N(C)C)nc13)-c1ccccc1C2=O ZINC000586992473 FI Annotated Reactive O=C(c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992479 FI Annotated Anodyne COC(=O)[C@@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992589 FI Annotated Reactive COC(=O)[C@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992591 FI Annotated Reactive COC(=O)c1nc2c(C)ccc3c2c(c1CCCl)-c1ccccc1C3=O ZINC000586992621 FI Annotated Reactive CCOC(=O)[C@H]1C(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586992647 FI Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586992649 FI Annotated Anodyne C#CCCCO[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992755 FI Annotated Mild C#CCCCO[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992756 FI Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(O)c(O)c1C3 ZINC000586992809 FI Annotated Clean COC(=O)c1coc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586992811 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]([C@H]1CCOC1)CC3 ZINC000586992823 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]([C@H]1CCOC1)CC3 ZINC000586992824 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]([C@@H]1CCOC1)CC3 ZINC000586992825 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]([C@@H]1CCOC1)CC3 ZINC000586992826 FI Annotated Anodyne Cc1ccc2c3c(cc(C(=O)CBr)nc13)-c1ccccc1C2=O ZINC000586992887 FI Annotated Reactive Cc1ccc2c3c(cc([C@@H](Br)C=O)nc13)-c1ccccc1C2=O ZINC000586993018 FI Annotated Reactive Cc1ccc2c3c(cc([C@H](Br)C=O)nc13)-c1ccccc1C2=O ZINC000586993019 FI Annotated Reactive Cc1ccc2c3c(cc(CC(=O)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993044 FI Annotated Anodyne Cc1nc(O)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993082 FI Annotated Anodyne COC(=O)C1(c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)CCC1 ZINC000586993208 FI Annotated Anodyne CCO/C=C(\C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993211 FI Annotated Mild CCO/C=C(/C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993212 FI Annotated Mild Cc1ccc2c3c(cc([C@@]4(Cl)CCOC4=O)nc13)-c1ccccc1C2=O ZINC000586993316 FI Annotated Anodyne Cc1ccc2c3c(cc([C@]4(Cl)CCOC4=O)nc13)-c1ccccc1C2=O ZINC000586993317 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4nc(Cl)c[nH]c4=N)nc13)-c1ccccc1C2=O ZINC000586993430 FI Annotated Anodyne COC(=O)Cc1c(CCl)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993508 FI Annotated Reactive COC(=O)[C@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993600 FI Annotated Anodyne COC(=O)[C@@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993603 FI Annotated Anodyne Cc1nsc(N)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994060 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ncsc1CC3 ZINC000586994330 FI Annotated Anodyne COC(=O)C(F)(F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000586994339 FI Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1nccs1 ZINC000586994502 FI Annotated Anodyne COP(=O)(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OC ZINC000586994596 FI Annotated Anodyne CSc1nccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586994630 FI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586994819 FI Annotated Anodyne Fc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1F ZINC000586994896 FI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586995031 FI Annotated Anodyne CCN(CC)C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995122 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586995242 FI Annotated Anodyne Clc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1 ZINC000586995248 FI Annotated Anodyne Clc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1 ZINC000586995258 FI Annotated Anodyne COc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1F ZINC000586995285 FI Annotated Anodyne COc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2n1 ZINC000586995379 FI Annotated Anodyne C=CC(=O)NC(C)(C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995399 FI Annotated Anodyne Clc1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586995734 FI Annotated Anodyne Clc1ccnc2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586995786 FI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586995842 FI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586995846 FI Annotated Anodyne CCOC(=O)[C@@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996087 FI Annotated Anodyne CCOC(=O)[C@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996089 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586996135 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586996143 FI Annotated Anodyne Clc1cncc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996161 FI Annotated Anodyne CSc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996179 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586996190 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586996202 FI Annotated Anodyne N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1 ZINC000586996218 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586996275 FI Annotated Anodyne COc1nccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 ZINC000586996412 FI Annotated Anodyne COC(=O)[C@@H](N=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000586996450 FI Annotated Anodyne COC(=O)[C@H](N=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000586996455 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586996512 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586996560 FI Annotated Anodyne COc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cn1 ZINC000586996586 FI Annotated Anodyne Clc1nccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996590 FI Annotated Anodyne Fc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2c(F)c1F ZINC000586996596 FI Annotated Anodyne N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586996655 FI Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1 ZINC000586996663 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586996665 FI Annotated Anodyne Fc1cc(F)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996720 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)/C(=C/N(C)C)C(=O)CC4)-c1ccccc1C2=O ZINC000586996724 FI Annotated Mild Cc1ccc2c3c(c4c(nc13)/C(=C\N(C)C)C(=O)CC4)-c1ccccc1C2=O ZINC000586996734 FI Annotated Mild O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586996761 FI Annotated Anodyne C=CCc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586996797 FI Annotated Mild Cc1ccc2c(ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c32)n1 ZINC000586996807 FI Annotated Anodyne Fc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1F ZINC000586996823 FI Annotated Anodyne N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586997118 FI Annotated Anodyne N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586997148 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586997169 FI Annotated Anodyne Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586997259 FI Annotated Anodyne COc1cncc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 ZINC000586997550 FI Annotated Anodyne CC(=O)NC(C)(C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586997619 FI Annotated Anodyne COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586997680 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586997681 FI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586997730 FI Annotated Anodyne N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1 ZINC000586997785 FI Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586997802 FI Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586998140 FI Annotated Anodyne N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586998149 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)N(C)C)CC4)-c1ccccc1C2=O ZINC000586998193 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](CC(=O)N(C)C)CC4)-c1ccccc1C2=O ZINC000586998200 FI Annotated Anodyne N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586998204 FI Annotated Anodyne Cc1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c(C)n1 ZINC000586998469 FI Annotated Anodyne Cc1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c(C)n1 ZINC000586998470 FI Annotated Anodyne Fc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998819 FI Annotated Anodyne Fc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998820 FI Annotated Anodyne N#Cc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999019 FI Annotated Mild N#Cc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999020 FI Annotated Mild Brc1ccc(-c2ccc(/C=C/c3nc4ncc[nH]c-4n3)o2)cc1 ZINC000586999107 FI Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ncc[nH]c-4n3)o2)cc1 ZINC000586999108 FI Annotated Anodyne N#Cc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999208 FI Annotated Mild N#Cc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999209 FI Annotated Mild Fc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999355 FI Annotated Anodyne Fc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999356 FI Annotated Anodyne COc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999364 FI Annotated Anodyne COc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999365 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 ZINC000586999677 FI Annotated Anodyne Cc1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000586999715 FI Annotated Anodyne Brc1cc(/C=C/c2nc3ccccc3[nH]2)cc2c1OCCO2 ZINC000586999843 FI Annotated Anodyne Brc1cc(/C=C\c2nc3ccccc3[nH]2)cc2c1OCCO2 ZINC000586999847 FI Annotated Anodyne Cc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000586999869 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)n1 ZINC000587000021 FI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccccc2[nH]1 ZINC000587000234 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4ccccc4cc3[nH]2)n1 ZINC000587000415 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000587000498 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(Cl)c(C)c3[nH]2)n1 ZINC000587000802 FI Annotated Anodyne Cc1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587000810 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(C(C)(C)C)c3[nH]2)n1 ZINC000587000851 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000587001425 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587001464 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C)c(Cl)cc3[nH]2)n1 ZINC000587001527 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(C(F)(F)F)c3[nH]2)n1 ZINC000587001532 FI Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587001563 FI Annotated Anodyne Oc1nccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587002074 FI Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Cl)cc(C)c3[nH]2)n1 ZINC000587002263 FI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(F)c2[nH]1 ZINC000587002373 FI Annotated Anodyne Fc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002383 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587002438 FI Annotated Anodyne COc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cn1 ZINC000587002650 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4cncc(C)c4[nH]3)cc(Br)c21 ZINC000587002661 FI Annotated Anodyne Cc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587002698 FI Annotated Anodyne Cc1c(F)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002700 FI Annotated Anodyne Cc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002802 FI Annotated Anodyne Cc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F ZINC000587002924 FI Annotated Anodyne Nc1ccnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 ZINC000587002930 FI Annotated Anodyne Brc1c(OCc2nc3cccnc3[nH]2)ccc2ccccc12 ZINC000587003023 FI Annotated Anodyne Fc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c(F)c1F ZINC000587003048 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C)cnc4[nH]3)cc(Br)c21 ZINC000587003134 FI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4nc(Cl)c[nH]c-4n3)c2o1 ZINC000587003142 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4cnccc4[nH]3)cc(Br)c21 ZINC000587003245 FI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cnc(Cl)[nH]c-4n3)c2o1 ZINC000587003288 FI Annotated Anodyne Cc1cc(F)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587003325 FI Annotated Anodyne Brc1c[nH]c2nccc(-c3nc4ccc5ncccc5c4[nH]3)c12 ZINC000587003443 FI Annotated Anodyne CCc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003457 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587003459 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587003590 FI Annotated Mild COc1cncc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c12 ZINC000587003645 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4c(C)nccc4[nH]3)cc(Br)c21 ZINC000587003741 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4cccnc4[nH]3)cc(Br)c21 ZINC000587003796 FI Annotated Anodyne Fc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003824 FI Annotated Anodyne COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F ZINC000587003871 FI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(Cl)ncnc4[nH]3)c2o1 ZINC000587003944 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(F)cnc4[nH]3)cc(Br)c21 ZINC000587004047 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(O)cc4[nH]3)cc(Br)c21 ZINC000587004293 FI Annotated Anodyne COc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2n1 ZINC000587004410 FI Annotated Anodyne Cc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004421 FI Annotated Anodyne Cc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004426 FI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2o1 ZINC000587004433 FI Annotated Bother CCCn1cnc2cc(-c3nc4cccc(O)c4[nH]3)cc(Br)c21 ZINC000587004453 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C)nc4[nH]3)cc(Br)c21 ZINC000587004478 FI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587004480 FI Annotated Bother Cc1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587004573 FI Annotated Anodyne Cc1cccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587004575 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1[N+](=O)[O-] ZINC000587004597 FI Annotated Bother CC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004610 FI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(N)c(N)cc4[nH]3)c2o1 ZINC000587004620 FI Annotated Anodyne CCCn1cnc2cc(-c3nc4c(C)ccnc4[nH]3)cc(Br)c21 ZINC000587004701 FI Annotated Anodyne COc1nccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c12 ZINC000587004745 FI Annotated Anodyne COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1C ZINC000587004793 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nc(Br)ccc3Cl)nc12 ZINC000587005049 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F ZINC000587005088 FI Annotated Bother CC(C)Oc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005170 FI Annotated Anodyne Fc1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1Cl ZINC000587005218 FI Annotated Anodyne Fc1cc(Cl)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005243 FI Annotated Anodyne COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1OC ZINC000587005251 FI Annotated Anodyne Fc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2c(F)c1F ZINC000587005278 FI Annotated Anodyne COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1C ZINC000587005347 FI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005359 FI Annotated Anodyne Fc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2c(F)c1F ZINC000587005395 FI Annotated Anodyne COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1OC ZINC000587005407 FI Annotated Anodyne Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl ZINC000587005411 FI Annotated Anodyne CSc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005424 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3nc(Br)ccc3Cl)nc12 ZINC000587005427 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F ZINC000587005431 FI Annotated Bother Cc1ccc2c(ccc3nc(-c4nc(Cl)cnc4Br)[nH]c32)n1 ZINC000587005446 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005465 FI Annotated Anodyne Cc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1[N+](=O)[O-] ZINC000587005472 FI Annotated Bother COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1C ZINC000587005474 FI Annotated Anodyne COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F ZINC000587005545 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 ZINC000587005643 FI Annotated Anodyne COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F ZINC000587005655 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005761 FI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005777 FI Annotated Anodyne COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl ZINC000587005787 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccnc(Br)c3Cl)nc12 ZINC000587005845 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccnc(Br)c3Cl)nc12 ZINC000587005858 FI Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000587005903 FI Annotated Anodyne COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1F ZINC000587005962 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587005967 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587005969 FI Annotated Mild Brc1cccn2ncc(-c3nc4cnc5ccccc5c4[nH]3)c12 ZINC000587006061 FI Annotated Anodyne COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1OC ZINC000587006097 FI Annotated Anodyne CSc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006127 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587006160 FI Annotated Anodyne Brc1n[nH]c2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc12 ZINC000587006236 FI Annotated Anodyne Fc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1Cl ZINC000587006280 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006345 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006388 FI Annotated Mild Fc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c(F)c1F ZINC000587006397 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1[N+](=O)[O-] ZINC000587006436 FI Annotated Bother Fc1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1Cl ZINC000587006466 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006490 FI Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006514 FI Annotated Anodyne CC(C)Oc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006521 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1[N+](=O)[O-] ZINC000587006563 FI Annotated Bother CSc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587006700 FI Annotated Anodyne Brc1ccc2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)cn2c1 ZINC000587006719 FI Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(Br)o3)[nH]c12 ZINC000587006797 FI Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587006868 FI Annotated Anodyne C=CCc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006896 FI Annotated Mild C=CCc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007003 FI Annotated Mild Brc1n[nH]c2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc12 ZINC000587007150 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587007157 FI Annotated Anodyne Brc1ccc2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)cn2c1 ZINC000587007159 FI Annotated Anodyne COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F ZINC000587007168 FI Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007211 FI Annotated Mild O=[N+]([O-])c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587007315 FI Annotated Bother Oc1c(Br)ccc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587007377 FI Annotated Anodyne Brc1cnc2c(-c3nc4c(cnc5ccccc54)[nH]3)cccn12 ZINC000587007388 FI Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000587007402 FI Annotated Mild Brc1cccn2ncc(-c3nc4ccc5ncccc5c4[nH]3)c12 ZINC000587007439 FI Annotated Anodyne ClC[C@H](Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587007577 FI Annotated Reactive ClC[C@@H](Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587007579 FI Annotated Reactive Cc1c(Br)cnc2nc(-c3ccc(Br)o3)[nH]c12 ZINC000587007633 FI Annotated Anodyne N#Cc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1C(F)(F)F ZINC000587007638 FI Annotated Mild Fc1cc(Br)cc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587007639 FI Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000587007769 FI Annotated Anodyne Fc1cc(Cl)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007777 FI Annotated Anodyne Fc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2c(F)c1F ZINC000587007806 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587007812 FI Annotated Mild Brc1cnc2c(-c3nc4c(ccc5ncccc54)[nH]3)cccn12 ZINC000587007825 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587007881 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cl)CCl)nc2c1 ZINC000587008238 FI Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cl)CCl)nc2c1 ZINC000587008241 FI Annotated Reactive Fc1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000587008332 FI Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1Br ZINC000587008375 FI Annotated Anodyne Fc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c(F)c1F ZINC000587008395 FI Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008782 FI Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587008814 FI Annotated Anodyne CC(C)Oc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008838 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587009066 FI Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587009419 FI Annotated Reactive CC(C)(NC(=O)CCl)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587009426 FI Annotated Reactive CCCCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br ZINC000587009902 FI Annotated Reactive Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587010520 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587010547 FI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587010818 FI Annotated Anodyne COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1Cl ZINC000587010994 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587010997 FI Annotated Bother Cc1nc(C2CC2)sc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587011081 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587011194 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587011206 FI Annotated Anodyne COC(=O)c1cccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c12 ZINC000587011214 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587011362 FI Annotated Mild Cc1ccc(-c2nc(-c3nc4c(S)nc(S)nc4[nH]3)c(C)s2)cc1 ZINC000587011676 FI Annotated Anodyne Cc1nc(C)c(Cc2nc3c(Cl)c(Br)cnc3[nH]2)s1 ZINC000587011716 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(C)s2)cc1 ZINC000587011725 FI Annotated Bother Clc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587011794 FI Annotated Anodyne COc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587011855 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3nc(-c4ccc(C)cc4)sc3C)nc12 ZINC000587011857 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012130 FI Annotated Bother Cc1nc(C)c(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 ZINC000587012150 FI Annotated Anodyne Clc1ccnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587012158 FI Annotated Anodyne Cc1nc(C)c(Cc2nc3c(Br)cnc(Cl)c3[nH]2)s1 ZINC000587012180 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587012191 FI Annotated Anodyne Clc1cncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012241 FI Annotated Anodyne Clc1nccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012267 FI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587012279 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587012322 FI Annotated Anodyne Brc1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C2CC2)s1 ZINC000587012360 FI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 ZINC000587012361 FI Annotated Clean Clc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 ZINC000587012435 FI Annotated Anodyne O=C(O)c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012441 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587012529 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587012580 FI Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587012625 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587012667 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587012675 FI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587012715 FI Annotated Anodyne Clc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cn1 ZINC000587012904 FI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587012956 FI Annotated Mild Cc1nc(-c2ccccc2)sc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587012967 FI Annotated Bother Cc1nc(-c2ccccc2)sc1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587012995 FI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587012999 FI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587013063 FI Annotated Anodyne COC(=O)c1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1 ZINC000587013091 FI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)s1 ZINC000587013184 FI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587013205 FI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587013271 FI Annotated Bother COC(=O)c1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2n1 ZINC000587013279 FI Annotated Anodyne COc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1F ZINC000587013302 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(C)s2)cc1 ZINC000587013304 FI Annotated Bother CCCc1sc(=N)[nH]c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587013347 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587013356 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587013362 FI Annotated Clean N#Cc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1C#N ZINC000587013398 FI Annotated Mild Brc1nc(-c2nc3cc4c(cc3[nH]2)OCO4)c(C2CC2)s1 ZINC000587013427 FI Annotated Anodyne O=C(O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587013441 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587013556 FI Annotated Bother CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587013567 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587013598 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587013622 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587013643 FI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587013691 FI Annotated Bother CCc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587013891 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cncc(Br)c3[nH]2)s1 ZINC000587013972 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cncc(Br)c3[nH]2)s1 ZINC000587013973 FI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587014019 FI Annotated Anodyne COc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1C ZINC000587014118 FI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(Cl)c3[nH]2)cs1 ZINC000587014119 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Br)nc3[nH]2)s1 ZINC000587014131 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Br)nc3[nH]2)s1 ZINC000587014132 FI Annotated Anodyne Cc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1C ZINC000587014210 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccnc(Br)c3[nH]2)s1 ZINC000587014258 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccnc(Br)c3[nH]2)s1 ZINC000587014259 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587014303 FI Annotated Anodyne Cc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1F ZINC000587014305 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cnc3[nH]2)s1 ZINC000587014394 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cnc3[nH]2)s1 ZINC000587014395 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587014478 FI Annotated Anodyne C=CCc1cccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587014499 FI Annotated Mild CCO[C@H](C)c1nc(C)c(-c2nc3c(Br)ccnc3[nH]2)s1 ZINC000587014523 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(Br)ccnc3[nH]2)s1 ZINC000587014524 FI Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000587014527 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)s1 ZINC000587014544 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)s1 ZINC000587014547 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 ZINC000587014621 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 ZINC000587014631 FI Annotated Bother CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 ZINC000587014633 FI Annotated Bother Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1C ZINC000587014742 FI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587014828 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)s1 ZINC000587014836 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)s1 ZINC000587014837 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 ZINC000587014963 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 ZINC000587014965 FI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2c1 ZINC000587014966 FI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2c1 ZINC000587014967 FI Annotated Anodyne Oc1ncnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 ZINC000587014992 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)s1 ZINC000587014998 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)s1 ZINC000587014999 FI Annotated Anodyne Oc1nncc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587015020 FI Annotated Anodyne Nc1ncnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 ZINC000587015043 FI Annotated Anodyne Nc1ncnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 ZINC000587015061 FI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)ncc3[nH]2)s1 ZINC000587015125 FI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)ncc3[nH]2)s1 ZINC000587015126 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2c1 ZINC000587015159 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2c1 ZINC000587015160 FI Annotated Anodyne N=c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c[nH]1 ZINC000587015245 FI Annotated Anodyne Oc1nncc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015312 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 ZINC000587015366 FI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4c(S)nc(S)nc4[nH]3)cs2)cc1 ZINC000587015479 FI Annotated Anodyne N=c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c[nH]1 ZINC000587015579 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587015730 FI Annotated Bother Cc1c(Br)cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 ZINC000587015778 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 ZINC000587015781 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1OC ZINC000587015831 FI Annotated Anodyne N=c1[nH]ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587015842 FI Annotated Anodyne N=c1[nH]ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015914 FI Annotated Anodyne Oc1ncnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 ZINC000587015946 FI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587015977 FI Annotated Bother COC(=O)c1cc2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2cc1OC ZINC000587016000 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)o1 ZINC000587016002 FI Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016042 FI Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016043 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587016064 FI Annotated Bother Fc1cc(Br)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016132 FI Annotated Anodyne Fc1cc(Br)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016133 FI Annotated Anodyne N#Cc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1C(F)(F)F ZINC000587016136 FI Annotated Mild N#Cc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1C(F)(F)F ZINC000587016137 FI Annotated Mild CCc1ccc(-c2nc(-c3nc4ccc(C(=O)OC)nc4[nH]3)cs2)cc1 ZINC000587016203 FI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cs2)cc1 ZINC000587016205 FI Annotated Bother CCc1ccc(-c2nc(-c3nc4c(C(=O)OC)ccnc4[nH]3)cs2)cc1 ZINC000587016206 FI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cs2)cc1 ZINC000587016211 FI Annotated Anodyne Cc1nc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1Br ZINC000587016240 FI Annotated Anodyne Cc1nc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1Br ZINC000587016241 FI Annotated Anodyne Oc1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016280 FI Annotated Anodyne Oc1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016281 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)ncc4[nH]3)cs2)o1 ZINC000587016282 FI Annotated Anodyne Fc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1Br ZINC000587016320 FI Annotated Anodyne Fc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1Br ZINC000587016321 FI Annotated Anodyne Brc1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016325 FI Annotated Anodyne Brc1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016326 FI Annotated Anodyne Cc1ccnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 ZINC000587016363 FI Annotated Anodyne Fc1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016380 FI Annotated Anodyne Fc1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016381 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 ZINC000587016429 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)cnc4[nH]3)cs2)o1 ZINC000587016478 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cs2)o1 ZINC000587016543 FI Annotated Anodyne Brc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016555 FI Annotated Anodyne Brc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016557 FI Annotated Anodyne Oc1nc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587016608 FI Annotated Anodyne Brc1ccnc2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587016639 FI Annotated Anodyne Oc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 ZINC000587016647 FI Annotated Anodyne N#Cc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 ZINC000587016650 FI Annotated Mild Brc1nccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587016652 FI Annotated Anodyne COc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 ZINC000587016660 FI Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)cs1 ZINC000587016698 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587016720 FI Annotated Anodyne Clc1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587016733 FI Annotated Anodyne FC(F)(F)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1 ZINC000587016736 FI Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)cs1 ZINC000587016740 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016777 FI Annotated Bother O=[N+]([O-])c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 ZINC000587016800 FI Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 ZINC000587016805 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 ZINC000587016809 FI Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 ZINC000587016835 FI Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 ZINC000587016837 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cs2)o1 ZINC000587016839 FI Annotated Anodyne Clc1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016866 FI Annotated Anodyne O=C(O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587016918 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cncc(Br)c4[nH]3)cs2)o1 ZINC000587016923 FI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 ZINC000587017020 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 ZINC000587017045 FI Annotated Anodyne Clc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 ZINC000587017070 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017080 FI Annotated Bother FC(F)(F)c1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587017083 FI Annotated Anodyne N#Cc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1C#N ZINC000587017084 FI Annotated Mild Oc1nc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587017092 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccnc(Br)c4[nH]3)cs2)o1 ZINC000587017134 FI Annotated Anodyne Brc1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587017233 FI Annotated Anodyne c1cc2c(cc1-c1nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cs1)CCO2 ZINC000587017245 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cs2)o1 ZINC000587017263 FI Annotated Anodyne Fc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1Br ZINC000587017291 FI Annotated Anodyne Fc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1Br ZINC000587017293 FI Annotated Anodyne N#Cc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1C#N ZINC000587017325 FI Annotated Mild Fc1cnc(Cl)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587017346 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Cl ZINC000587017358 FI Annotated Bother O=[N+]([O-])c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Cl ZINC000587017359 FI Annotated Bother Clc1cccnc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCO4)cs1 ZINC000587017371 FI Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017451 FI Annotated Anodyne CCCCOc1cc2nc(-c3csc(O)n3)[nH]c2cc1Br ZINC000587017462 FI Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587017500 FI Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587017502 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Cl ZINC000587017504 FI Annotated Bother c1coc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCCCO5)cs2)c1 ZINC000587017527 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cs2)o1 ZINC000587017530 FI Annotated Bother Fc1c(F)c(F)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1F ZINC000587017567 FI Annotated Anodyne CC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017571 FI Annotated Anodyne Brc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2n1 ZINC000587017576 FI Annotated Anodyne Cc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1 ZINC000587017608 FI Annotated Anodyne Oc1nc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587017711 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587017716 FI Annotated Anodyne Oc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 ZINC000587017734 FI Annotated Anodyne Oc1nc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587017741 FI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(Br)nc4[nH]3)cs2)o1 ZINC000587017790 FI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017819 FI Annotated Bother COC(=O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017826 FI Annotated Anodyne COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1OC ZINC000587017875 FI Annotated Anodyne Cc1cc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c(C)n1 ZINC000587017897 FI Annotated Anodyne FC1(F)Oc2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc2O1 ZINC000587017914 FI Annotated Anodyne N#Cc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 ZINC000587018044 FI Annotated Mild Oc1nc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1 ZINC000587018073 FI Annotated Anodyne CC(C)COc1cc2nc(-c3csc(O)n3)[nH]c2cc1Br ZINC000587018107 FI Annotated Anodyne Clc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cn1 ZINC000587018120 FI Annotated Anodyne COc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1F ZINC000587018128 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587018132 FI Annotated Mild Cc1ccc(-c2nc(-c3nc4c(Br)ccnc4[nH]3)cs2)o1 ZINC000587018140 FI Annotated Anodyne Brc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1 ZINC000587018157 FI Annotated Anodyne Clc1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587018220 FI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587018241 FI Annotated Anodyne c1cc2c(cc1-c1nc(-c3nc4cc5c(cc4[nH]3)OCO5)cs1)CCO2 ZINC000587018243 FI Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1-n1cccn1 ZINC000587018245 FI Annotated Anodyne Clc1nccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587018282 FI Annotated Anodyne Brc1cncc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587018318 FI Annotated Anodyne Cc1nccc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 ZINC000587018357 FI Annotated Anodyne COc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 ZINC000587018363 FI Annotated Anodyne Cc1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 ZINC000587018375 FI Annotated Anodyne Cc1cncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 ZINC000587018386 FI Annotated Anodyne Cc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1F ZINC000587018800 FI Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1 ZINC000587018961 FI Annotated Anodyne Cc1cccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587018985 FI Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587019003 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)cnc3[nH]2)cs1 ZINC000587019107 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)ncc3[nH]2)cs1 ZINC000587019111 FI Annotated Anodyne N#Cc1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 ZINC000587019162 FI Annotated Mild N#Cc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019171 FI Annotated Mild Fc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019183 FI Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 ZINC000587019216 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cncc(Cl)c3[nH]2)cs1 ZINC000587019416 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)ccnc3[nH]2)cs1 ZINC000587019466 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)c(F)cc3[nH]2)cs1 ZINC000587019472 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)cc(F)c3[nH]2)cs1 ZINC000587019473 FI Annotated Anodyne Cc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1F ZINC000587019500 FI Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(F)cc3[nH]2)cs1 ZINC000587019593 FI Annotated Anodyne O=C(Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1)c1cccs1 ZINC000587019621 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccnc(Cl)c3[nH]2)cs1 ZINC000587019655 FI Annotated Anodyne Cc1c(F)ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587019664 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(F)c(F)c3[nH]2)cs1 ZINC000587019750 FI Annotated Anodyne CCc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019779 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Cl)nc3[nH]2)cs1 ZINC000587019825 FI Annotated Anodyne Cc1c(F)ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587019869 FI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c2)cs1 ZINC000587019975 FI Annotated Mild Cc1nc(COc2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cs1 ZINC000587020232 FI Annotated Bother COc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1C ZINC000587020246 FI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cs1 ZINC000587020270 FI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)cs1 ZINC000587020275 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cs1 ZINC000587020423 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)ncc3[nH]2)cs1 ZINC000587020458 FI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cs1 ZINC000587020491 FI Annotated Anodyne COc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1Cl ZINC000587020516 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1 ZINC000587020519 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cs1 ZINC000587020524 FI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cs1 ZINC000587020584 FI Annotated Bother Cc1nc(COc2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cs1 ZINC000587020595 FI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4nccc(N)c4[nH]3)cc2)n1 ZINC000587020617 FI Annotated Anodyne Cc1cc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2cc1[N+](=O)[O-] ZINC000587020648 FI Annotated Bother O=C(O)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1F ZINC000587020665 FI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cs1 ZINC000587020770 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc2c1 ZINC000587020814 FI Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)nc3[nH]2)cs1 ZINC000587020857 FI Annotated Anodyne N#Cc1ncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587020863 FI Annotated Mild CC(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020882 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 ZINC000587020891 FI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 ZINC000587020966 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cs1 ZINC000587021005 FI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)n1 ZINC000587021029 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cs1 ZINC000587021051 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cncc(Br)c3[nH]2)cs1 ZINC000587021125 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)c(C)nc3[nH]2)cs1 ZINC000587021126 FI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)s2)cn1 ZINC000587021161 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cs1 ZINC000587021238 FI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)s2)cn1 ZINC000587021249 FI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021257 FI Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 ZINC000587021295 FI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 ZINC000587021297 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(C)c(Br)cnc3[nH]2)cs1 ZINC000587021320 FI Annotated Anodyne Cc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br ZINC000587021333 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587021345 FI Annotated Anodyne COc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1OC ZINC000587021351 FI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)s2)cn1 ZINC000587021352 FI Annotated Anodyne CCCOc1cc2nc(-c3cnc(C#N)s3)[nH]c2cc1Br ZINC000587021379 FI Annotated Mild c1ccc(-c2csc(=Nc3cccc(-c4nc5cnccc5[nH]4)c3)[nH]2)nc1 ZINC000587021427 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1F ZINC000587021493 FI Annotated Bother Cc1csc(SCc2ccc(-c3nc4c(=N)[nH]ccc4[nH]3)cc2)n1 ZINC000587021557 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cs1 ZINC000587021561 FI Annotated Anodyne c1ccc(-c2csc(=Nc3cccc(-c4nc5cccnc5[nH]4)c3)[nH]2)nc1 ZINC000587021590 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cs1 ZINC000587021653 FI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(O)nccc4[nH]3)cc2)n1 ZINC000587021669 FI Annotated Anodyne Cc1cc(Br)cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 ZINC000587021689 FI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)s2)cn1 ZINC000587021753 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587021831 FI Annotated Bother Cn1cc(-c2ncc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)s2)cn1 ZINC000587021910 FI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 ZINC000587021935 FI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c[nH]c(=N)cc4[nH]3)cc2)n1 ZINC000587021942 FI Annotated Anodyne Brc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 ZINC000587021985 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccnc(Br)c3[nH]2)cs1 ZINC000587021991 FI Annotated Anodyne c1ccc(Cc2ncc(-c3nc4cc5c(cc4[nH]3)OCCCO5)s2)cc1 ZINC000587021999 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 ZINC000587022072 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 ZINC000587022085 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587022094 FI Annotated Mild Brc1nccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587022095 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1 ZINC000587022106 FI Annotated Anodyne Brc1ccnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587022142 FI Annotated Anodyne N#Cc1ncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587022143 FI Annotated Mild FC(F)(F)c1ncc2nc(-c3cnc(Cc4ccccc4)s3)nc-2[nH]1 ZINC000587022210 FI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 ZINC000587022315 FI Annotated Clean C[C@@H](O)c1ncc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 ZINC000587022316 FI Annotated Clean CC(C)Oc1cc2nc(-c3cnc(C#N)s3)[nH]c2cc1Br ZINC000587022330 FI Annotated Mild C[C@@H](O)c1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)s1 ZINC000587022376 FI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)s1 ZINC000587022378 FI Annotated Anodyne Brc1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587022477 FI Annotated Anodyne O=C1CCc2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc2N1 ZINC000587022490 FI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(Br)ccnc3[nH]2)cs1 ZINC000587022552 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cs1 ZINC000587022554 FI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cs1 ZINC000587022563 FI Annotated Bother Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cnc3[nH]2)cs1 ZINC000587022577 FI Annotated Anodyne Brc1cncc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587022590 FI Annotated Anodyne N#Cc1ncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587022664 FI Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587022687 FI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587022688 FI Annotated Anodyne Brc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 ZINC000587022738 FI Annotated Anodyne N#Cc1ncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)s1 ZINC000587022766 FI Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 ZINC000587022802 FI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 ZINC000587022803 FI Annotated Anodyne Cc1c(Br)cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1C ZINC000587022809 FI Annotated Anodyne Cc1c(Br)cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1C ZINC000587022810 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(F)cc3[nH]2)s1 ZINC000587022930 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(F)ccc3[nH]2)s1 ZINC000587022931 FI Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cnc(Cl)s3)[nH]c2cn1 ZINC000587022942 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(Cl)cc3[nH]2)s1 ZINC000587022971 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cnc(Cl)cc3[nH]2)s1 ZINC000587023028 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(F)c(F)cc3[nH]2)s1 ZINC000587023075 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)cncc3[nH]2)s1 ZINC000587023109 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1[N+](=O)[O-] ZINC000587023123 FI Annotated Bother FC(F)(F)c1ncc2[nH]c(-c3ccc(-c4nccs4)s3)nc2n1 ZINC000587023264 FI Annotated Anodyne Clc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 ZINC000587023350 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)ncc(F)c3[nH]2)s1 ZINC000587023369 FI Annotated Anodyne Clc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 ZINC000587023395 FI Annotated Anodyne COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1F ZINC000587023400 FI Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 ZINC000587023547 FI Annotated Anodyne Cc1cnc(Cl)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587023574 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc(Cl)s3)[nH]c21 ZINC000587023642 FI Annotated Clean Fc1c(Br)cc2nc(-c3cnc(Cl)s3)[nH]c2c1F ZINC000587023699 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3nccc(Cl)c3[nH]2)s1 ZINC000587023702 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cc(F)cc3[nH]2)s1 ZINC000587023705 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587023713 FI Annotated Bother CC(C)(C)OC(=O)Nc1cnc(-c2nc3nc(Cl)ccc3[nH]2)s1 ZINC000587023910 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)nccc3[nH]2)s1 ZINC000587023935 FI Annotated Anodyne COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1C ZINC000587024005 FI Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1OC ZINC000587024094 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1OC ZINC000587024095 FI Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc2N1 ZINC000587024357 FI Annotated Anodyne Ic1cccc2nc(/C=C\c3ccsc3)[nH]c12 ZINC000587024716 FI Annotated Anodyne Ic1cccc2nc(/C=C/c3ccsc3)[nH]c12 ZINC000587024719 FI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccsc3)nc2c1 ZINC000587024721 FI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccsc3)nc2c1 ZINC000587024723 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccsc3)[nH]c12 ZINC000587024822 FI Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccsc3)[nH]c12 ZINC000587024823 FI Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc(CSCc3ccsc3)nc1-2 ZINC000587025136 FI Annotated Anodyne Ic1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 ZINC000587025316 FI Annotated Anodyne Ic1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 ZINC000587025317 FI Annotated Anodyne Brc1c[nH]c2nc(-c3cccc(-c4ccsc4)c3)nc-2n1 ZINC000587025341 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccsc3)[nH]c12 ZINC000587025382 FI Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccsc3)[nH]c12 ZINC000587025383 FI Annotated Bother Fc1cc(C(F)(F)F)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587025549 FI Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(S)s3)nc2cc1C(F)(F)F ZINC000587025817 FI Annotated Anodyne CCCOc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1Br ZINC000587025858 FI Annotated Anodyne CCCOc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1Br ZINC000587025867 FI Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587026115 FI Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587026208 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587026294 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026381 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026387 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026388 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cnccc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026389 FI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587026424 FI Annotated Mild Cc1ncsc1CCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587026433 FI Annotated Anodyne Cc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587026471 FI Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1Br ZINC000587026531 FI Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1Br ZINC000587026533 FI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587026591 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(CSCc3ccsc3)nc12 ZINC000587026699 FI Annotated Anodyne Cc1ncsc1CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587026766 FI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587026773 FI Annotated Bother Cc1ncsc1CCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587026780 FI Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc2c1 ZINC000587026960 FI Annotated Anodyne Cc1cc2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc2cc1[N+](=O)[O-] ZINC000587027032 FI Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027227 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027228 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027229 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587027361 FI Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027425 FI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587027624 FI Annotated Anodyne COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1OC ZINC000587027634 FI Annotated Anodyne Cc1nc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2cc1Br ZINC000587027738 FI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 ZINC000587027898 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 ZINC000587028023 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587028047 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587028074 FI Annotated Anodyne O=C(NCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1cscn1 ZINC000587028079 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587028094 FI Annotated Anodyne O=C(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cscn1 ZINC000587028241 FI Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2cncc(Br)c2[nH]1 ZINC000587028279 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587028294 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1OC ZINC000587028307 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587028325 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1 ZINC000587028373 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587028453 FI Annotated Anodyne Cc1ncsc1CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587028551 FI Annotated Clean O=[N+]([O-])c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587028566 FI Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587028568 FI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587028603 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSCc3ccsc3)nc2c1 ZINC000587028710 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 ZINC000587028751 FI Annotated Anodyne Cc1c(-c2nc3c(Cl)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028840 FI Annotated Anodyne Cc1c(-c2nc3c(ccc4ncccc43)[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028852 FI Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587028900 FI Annotated Anodyne c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(OCc2cscn2)c1 ZINC000587028930 FI Annotated Anodyne Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1C ZINC000587028951 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587028958 FI Annotated Mild N#Cc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1C#N ZINC000587029001 FI Annotated Mild O=[N+]([O-])c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029128 FI Annotated Bother CSc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029160 FI Annotated Anodyne C=CCc1cccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc12 ZINC000587029162 FI Annotated Mild Cc1c(-c2nc3c(C)ccc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029219 FI Annotated Anodyne Cc1cc(F)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 ZINC000587029337 FI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029380 FI Annotated Anodyne Cc1cc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2cc1C ZINC000587029470 FI Annotated Anodyne Cc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1F ZINC000587029497 FI Annotated Anodyne Cc1cc(C)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 ZINC000587029548 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029561 FI Annotated Bother CCc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029567 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1[N+](=O)[O-] ZINC000587029588 FI Annotated Bother Cc1c(-c2nc3cc(Cl)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029611 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1F ZINC000587029622 FI Annotated Bother COC(=O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029657 FI Annotated Anodyne COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1OC ZINC000587029718 FI Annotated Anodyne Cc1c(-c2nc3c(Cl)ncc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029902 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029955 FI Annotated Anodyne Cc1c(-c2nc3c(cnc4ccccc43)[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030029 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccccc3OCc3cscn3)nc12 ZINC000587030059 FI Annotated Anodyne COc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1C ZINC000587030104 FI Annotated Anodyne Cc1cncc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 ZINC000587030205 FI Annotated Anodyne Nc1c(-c2nc3cc(F)cnc3[nH]2)sc2cc(Br)ccc12 ZINC000587031009 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccnc3[nH]1)N2 ZINC000587031072 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccnc3[nH]1)N2 ZINC000587031090 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccnc3[nH]1)N2 ZINC000587031091 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccnc3[nH]1)N2 ZINC000587031093 FI Annotated Anodyne Clc1ncc(Br)c2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587031170 FI Annotated Anodyne Cc1ccnc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 ZINC000587031368 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1N ZINC000587031416 FI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)ncnc4[nH]3)c21 ZINC000587031514 FI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)ncnc4[nH]3)c21 ZINC000587031516 FI Annotated Anodyne Fc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1Br ZINC000587031660 FI Annotated Anodyne c1ccc2nc3cc4[nH]c(-c5csc6c5CCOC6)nc4cc3nc2c1 ZINC000587031672 FI Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(F)cnc4[nH]3)c2C1 ZINC000587031699 FI Annotated Anodyne c1cnc2c(c1)c1nc(-c3csc4c3CCOC4)[nH]c1c1cccnc12 ZINC000587031727 FI Annotated Bother N#Cc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1C#N ZINC000587031830 FI Annotated Mild Cc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2n1 ZINC000587031840 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cnccc3[nH]1)N2 ZINC000587031858 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnccc3[nH]1)N2 ZINC000587031859 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnccc3[nH]1)N2 ZINC000587031861 FI Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnccc3[nH]1)N2 ZINC000587031862 FI Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587031863 FI Annotated Mild Fc1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 ZINC000587031975 FI Annotated Anodyne Oc1ccc2scc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2c1 ZINC000587032020 FI Annotated Anodyne Fc1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587032098 FI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nncc4[nH]3)c21 ZINC000587032199 FI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nncc4[nH]3)c21 ZINC000587032209 FI Annotated Anodyne Nc1c(-c2nc3ccc(CO)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032276 FI Annotated Anodyne Fc1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587032345 FI Annotated Anodyne Oc1ccc2scc(-c3nc4c(F)cnc(Br)c4[nH]3)c2c1 ZINC000587032379 FI Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3csc4c3CCOC4)nc12 ZINC000587032416 FI Annotated Anodyne Fc1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1Br ZINC000587032458 FI Annotated Anodyne Fc1c(Br)cc2nc(-c3csc4c3CCOC4)[nH]c2c1F ZINC000587032573 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 ZINC000587032616 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(O)cc4[nH]3)c2C1 ZINC000587032633 FI Annotated Anodyne Oc1nc2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc2[nH]1 ZINC000587032682 FI Annotated Anodyne O=C1CCc2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc2N1 ZINC000587032705 FI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2C1 ZINC000587032756 FI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2C1 ZINC000587032757 FI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2C1 ZINC000587032768 FI Annotated Bother C[C@H]1CCc2sc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2C1 ZINC000587032770 FI Annotated Bother COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1OC ZINC000587032868 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1OC ZINC000587032869 FI Annotated Anodyne Cc1nccc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 ZINC000587032877 FI Annotated Anodyne Cc1nccc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 ZINC000587032906 FI Annotated Anodyne Nc1c(-c2nc3ccc(O)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032939 FI Annotated Anodyne O=C(O)c1cc(F)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033009 FI Annotated Anodyne Cc1cnc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 ZINC000587033034 FI Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033048 FI Annotated Bother O=C(O)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1F ZINC000587033109 FI Annotated Anodyne Cc1cncc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 ZINC000587033233 FI Annotated Anodyne c1ccn(-c2sc3c(c2-c2nc4cc5c(cc4[nH]2)OCCO5)CCC3)c1 ZINC000587033408 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc4c(s3)CCC4)nc12 ZINC000587033595 FI Annotated Bother N[C@@H](N=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033702 FI Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033703 FI Annotated Anodyne O=C(NCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587033790 FI Annotated Anodyne Cc1cnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 ZINC000587033850 FI Annotated Anodyne FC(F)(F)Oc1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587034010 FI Annotated Anodyne FC(F)(F)Oc1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587034013 FI Annotated Anodyne Fc1c(Br)ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587034041 FI Annotated Anodyne Fc1c(Br)ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587034043 FI Annotated Anodyne FC(F)(F)Oc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034112 FI Annotated Anodyne FC(F)(F)Oc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034114 FI Annotated Anodyne COC(=O)c1cc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2cc1OC ZINC000587034126 FI Annotated Anodyne COC(=O)c1cc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2cc1OC ZINC000587034128 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc12 ZINC000587034293 FI Annotated Bother CC(C)(C)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587034317 FI Annotated Anodyne CC(C)(C)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587034372 FI Annotated Anodyne Cc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2n1 ZINC000587034527 FI Annotated Anodyne O=C(NCc1nc2cccc(C(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034711 FI Annotated Anodyne Fc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1Br ZINC000587034947 FI Annotated Anodyne Fc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1Br ZINC000587034948 FI Annotated Anodyne O=C(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035225 FI Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(N)ccnc2[nH]1 ZINC000587035265 FI Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(N)ccnc2[nH]1 ZINC000587035266 FI Annotated Anodyne Cc1ccnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 ZINC000587035276 FI Annotated Anodyne Fc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1Br ZINC000587035362 FI Annotated Anodyne Fc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1Br ZINC000587035363 FI Annotated Anodyne Fc1cc(Br)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587035443 FI Annotated Anodyne Fc1cc(Br)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587035445 FI Annotated Anodyne O=C(NCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035769 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(O)c4[nH]3)c2C1 ZINC000587035782 FI Annotated Anodyne Fc1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587035803 FI Annotated Anodyne Fc1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587035805 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036420 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036421 FI Annotated Anodyne Brc1cncc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587036453 FI Annotated Anodyne Brc1cncc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587036454 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587036580 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587036581 FI Annotated Anodyne Brc1ccnc2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587036605 FI Annotated Anodyne Brc1ccnc2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587036606 FI Annotated Anodyne FC1(F)Oc2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc2O1 ZINC000587036614 FI Annotated Anodyne FC1(F)Oc2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc2O1 ZINC000587036615 FI Annotated Anodyne Brc1nccc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587036651 FI Annotated Anodyne Brc1nccc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587036652 FI Annotated Anodyne Brc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cn1 ZINC000587036689 FI Annotated Anodyne Brc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cn1 ZINC000587036690 FI Annotated Anodyne Brc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2n1 ZINC000587036869 FI Annotated Anodyne Brc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2n1 ZINC000587036870 FI Annotated Anodyne Cc1nc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1Br ZINC000587036871 FI Annotated Anodyne Cc1nc2[nH]c([C@H]3SCCc4sccc43)nc2cc1Br ZINC000587036872 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 ZINC000587036978 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 ZINC000587036980 FI Annotated Anodyne Ic1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 ZINC000587037156 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587037183 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587037186 FI Annotated Anodyne Ic1cccc2[nH]c(-c3cc4c(s3)CCC4)nc12 ZINC000587037323 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587037406 FI Annotated Mild N#Cc1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587037411 FI Annotated Mild N#Cc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1C(F)(F)F ZINC000587037432 FI Annotated Mild N#Cc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1C(F)(F)F ZINC000587037433 FI Annotated Mild Fc1cnc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587037482 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587037485 FI Annotated Anodyne Fc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1-n1cccn1 ZINC000587037831 FI Annotated Anodyne Fc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1-n1cccn1 ZINC000587037832 FI Annotated Anodyne Brc1cnc2[nH]c([C@@H]3SCCc4sccc43)nc2c1 ZINC000587037878 FI Annotated Anodyne Brc1cnc2[nH]c([C@H]3SCCc4sccc43)nc2c1 ZINC000587037880 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)cccc2[nH]1 ZINC000587037958 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(C(C)(C)C)ccc2[nH]1 ZINC000587038295 FI Annotated Anodyne Cc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Cl ZINC000587038417 FI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587038592 FI Annotated Mild Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 ZINC000587038616 FI Annotated Anodyne Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 ZINC000587038618 FI Annotated Anodyne Clc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 ZINC000587038619 FI Annotated Anodyne Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(Cl)n1 ZINC000587038620 FI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587038673 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587038878 FI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587038911 FI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587038952 FI Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587039134 FI Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1 ZINC000587039198 FI Annotated Clean Fc1c(F)c(F)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1F ZINC000587039216 FI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1F ZINC000587039222 FI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1F ZINC000587039223 FI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1F ZINC000587039224 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000587039447 FI Annotated Anodyne COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039718 FI Annotated Anodyne COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039719 FI Annotated Anodyne COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039720 FI Annotated Anodyne COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039721 FI Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587039795 FI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039840 FI Annotated Bother CSc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587039844 FI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039845 FI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587039847 FI Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3c(ccc2[nH]1)CCCC3 ZINC000587039864 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)cc(Cl)cc2[nH]1 ZINC000587039875 FI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039907 FI Annotated Anodyne C=CCc1cccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587039939 FI Annotated Mild O=[N+]([O-])c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587040158 FI Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040186 FI Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040188 FI Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040190 FI Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040191 FI Annotated Mild N#Cc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040249 FI Annotated Mild CC(C)(C)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040275 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040279 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040280 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040282 FI Annotated Anodyne O=C(O)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040305 FI Annotated Anodyne Clc1ncnc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587040329 FI Annotated Anodyne Fc1c(Cl)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040570 FI Annotated Anodyne Fc1c(Cl)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040572 FI Annotated Anodyne Fc1c(Cl)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040574 FI Annotated Anodyne Fc1c(Cl)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040575 FI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587040609 FI Annotated Anodyne COc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cn1 ZINC000587040623 FI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587040625 FI Annotated Anodyne Nc1ccnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 ZINC000587040736 FI Annotated Anodyne FC(F)(F)Sc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587040764 FI Annotated Anodyne c1ccc(COc2cccc3nc(Cc4csc5nccn45)[nH]c23)cc1 ZINC000587040799 FI Annotated Anodyne N=c1[nH]ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040803 FI Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc4nccn34)[nH]c2c1C ZINC000587040876 FI Annotated Anodyne Brc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040883 FI Annotated Anodyne Brc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040886 FI Annotated Anodyne Brc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040887 FI Annotated Anodyne Brc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040889 FI Annotated Anodyne OCCc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587040891 FI Annotated Anodyne Clc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587040898 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040967 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040968 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040969 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040970 FI Annotated Anodyne CSc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587040998 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c32)n1 ZINC000587041005 FI Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Cl ZINC000587041183 FI Annotated Anodyne OCc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587041359 FI Annotated Anodyne Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2nc1Cl ZINC000587041419 FI Annotated Anodyne Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2nc1Cl ZINC000587041420 FI Annotated Anodyne Clc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2nc1Cl ZINC000587041422 FI Annotated Anodyne Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2nc1Cl ZINC000587041424 FI Annotated Anodyne N=c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c[nH]1 ZINC000587041463 FI Annotated Anodyne Clc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587041477 FI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000587041549 FI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000587041550 FI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C)c3[nH]2)cc1 ZINC000587041574 FI Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C)c3[nH]2)cc1 ZINC000587041575 FI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587041676 FI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587041677 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c32)n1 ZINC000587041728 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c32)n1 ZINC000587041739 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c32)n1 ZINC000587041741 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c32)n1 ZINC000587041743 FI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587041763 FI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587041764 FI Annotated Anodyne CC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587041766 FI Annotated Anodyne CC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587041768 FI Annotated Anodyne COc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587041922 FI Annotated Anodyne N#Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1C(F)(F)F ZINC000587042097 FI Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3Cc4ccccc4S3)nc1-2 ZINC000587042111 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3Cc4ccccc4S3)nc1-2 ZINC000587042114 FI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587042144 FI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587042146 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1 ZINC000587042162 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587042195 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587042196 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2N1 ZINC000587042293 FI Annotated Anodyne O=C(O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042393 FI Annotated Anodyne Cc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1F ZINC000587042472 FI Annotated Anodyne Cc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1F ZINC000587042473 FI Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587042478 FI Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587042479 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587042584 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587042585 FI Annotated Anodyne Clc1cnc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587042611 FI Annotated Anodyne Clc1cnc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587042612 FI Annotated Anodyne Clc1cnc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587042613 FI Annotated Anodyne Clc1cnc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587042614 FI Annotated Anodyne Clc1c[nH]c2nc(COc3ccccc3C3SCCS3)nc-2n1 ZINC000587042677 FI Annotated Anodyne Clc1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1Cl ZINC000587042684 FI Annotated Anodyne Clc1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1Cl ZINC000587042685 FI Annotated Anodyne Clc1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1Cl ZINC000587042686 FI Annotated Anodyne Clc1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1Cl ZINC000587042687 FI Annotated Anodyne Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br ZINC000587042808 FI Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587042865 FI Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587042870 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1 ZINC000587042881 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c32)n1 ZINC000587042932 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c32)n1 ZINC000587042933 FI Annotated Anodyne Brc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042985 FI Annotated Anodyne Brc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042986 FI Annotated Anodyne Brc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042987 FI Annotated Anodyne Brc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042988 FI Annotated Anodyne N#Cc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587043058 FI Annotated Mild Clc1ncc2nc(COc3ccccc3C3SCCS3)nc-2[nH]1 ZINC000587043097 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587043214 FI Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)N1 ZINC000587043218 FI Annotated Reactive O=C1CSC[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)N1 ZINC000587043219 FI Annotated Reactive COc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587043422 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587043470 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587043471 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587043494 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587043495 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587043502 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587043503 FI Annotated Anodyne COc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1C ZINC000587043560 FI Annotated Anodyne COc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1C ZINC000587043561 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587043686 FI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587043687 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc12 ZINC000587043747 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc12 ZINC000587043749 FI Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587043752 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587043758 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587043759 FI Annotated Anodyne CCc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587044082 FI Annotated Anodyne CCc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587044083 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2N1 ZINC000587044128 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 ZINC000587044163 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4cccc(Br)c4[nH]3)cc2N1 ZINC000587044174 FI Annotated Anodyne COc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1 ZINC000587044332 FI Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587044350 FI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587044476 FI Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2N1 ZINC000587044528 FI Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587044598 FI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587044703 FI Annotated Bother COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587044704 FI Annotated Mild COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(CO)cc2[nH]1 ZINC000587044737 FI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587044760 FI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587044857 FI Annotated Anodyne COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587044899 FI Annotated Anodyne COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc(Cl)c1O ZINC000587045632 FI Annotated Anodyne COc1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1 ZINC000587045667 FI Annotated Anodyne COc1cc(-c2nc3ccc(CO)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045678 FI Annotated Anodyne COc1cc(-c2nc3cc(N)c(N)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045692 FI Annotated Anodyne COc1cc(-c2nc3cccc(Br)c3[nH]2)cc(Cl)c1O ZINC000587045697 FI Annotated Anodyne COc1cc(-c2nc3ccnc(OC)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045732 FI Annotated Anodyne COc1cc(-c2nc3cncc(OC)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045860 FI Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc(Cl)c1O ZINC000587045878 FI Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc(Cl)c1O ZINC000587045889 FI Annotated Anodyne COc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cn1 ZINC000587045900 FI Annotated Anodyne COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Cl)c1O ZINC000587046266 FI Annotated Anodyne COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587046377 FI Annotated Anodyne COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Cl)c1O ZINC000587046385 FI Annotated Bother COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Cl)c1O ZINC000587046406 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2c1 ZINC000587046417 FI Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc(Cl)c1O ZINC000587046424 FI Annotated Anodyne COc1cc(-c2nc3c(Cl)ncnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046431 FI Annotated Anodyne COc1cc(/C=C\c2nc3cnncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046456 FI Annotated Anodyne COc1cc(/C=C/c2nc3cnncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046457 FI Annotated Anodyne COc1cc(-c2nc3ccc(CCO)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046562 FI Annotated Anodyne COc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc(Cl)c1O ZINC000587046566 FI Annotated Anodyne COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc(Cl)c1O ZINC000587046627 FI Annotated Anodyne COc1cc(/C=C\c2nc3cncnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046662 FI Annotated Anodyne COc1cc(/C=C/c2nc3cncnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046663 FI Annotated Anodyne COc1cc(/C=C\c2nc3cc[nH]c(=N)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046792 FI Annotated Anodyne COc1cc(/C=C/c2nc3cc[nH]c(=N)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046793 FI Annotated Anodyne COc1cc(/C=C\c2nc3c(N)ccnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046944 FI Annotated Anodyne COc1cc(/C=C/c2nc3c(N)ccnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046945 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047078 FI Annotated Mild N#Cc1nc(Cl)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047079 FI Annotated Mild O=C(O)c1cc(F)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047168 FI Annotated Bother O=C(O)c1cc(F)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047176 FI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl ZINC000587047314 FI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl ZINC000587047315 FI Annotated Bother O=[N+]([O-])c1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587047328 FI Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587047329 FI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl ZINC000587047342 FI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl ZINC000587047343 FI Annotated Bother O=C(O)c1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587047365 FI Annotated Bother O=C(O)c1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587047366 FI Annotated Bother COc1cc(/C=C\c2nc3ncc[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587047425 FI Annotated Anodyne COc1cc(/C=C/c2nc3ncc[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587047426 FI Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587047473 FI Annotated Bother COc1cc(OC)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587047474 FI Annotated Bother N=c1nc(O)c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2[nH]1 ZINC000587047538 FI Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc-2[nH]1 ZINC000587047553 FI Annotated Anodyne COc1cc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047647 FI Annotated Anodyne COc1cc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047648 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 ZINC000587047745 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 ZINC000587047747 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 ZINC000587047748 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 ZINC000587047752 FI Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048013 FI Annotated Bother COC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048014 FI Annotated Bother COC(=O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587048093 FI Annotated Bother COC(=O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587048094 FI Annotated Bother N[C@H](N=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048280 FI Annotated Bother N[C@H](N=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048282 FI Annotated Bother N[C@@H](N=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048283 FI Annotated Bother N[C@@H](N=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048285 FI Annotated Bother CCOC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048328 FI Annotated Bother CCOC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048330 FI Annotated Bother Oc1nc(O)c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2n1 ZINC000587048363 FI Annotated Anodyne COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1OC ZINC000587048381 FI Annotated Bother COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1OC ZINC000587048382 FI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl ZINC000587048441 FI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl ZINC000587048443 FI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl ZINC000587048553 FI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl ZINC000587048555 FI Annotated Bother FC(F)(F)c1ncc2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2[nH]1 ZINC000587048923 FI Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587049406 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587049484 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587049485 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587049486 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587049488 FI Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587050151 FI Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587050158 FI Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587050161 FI Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587050163 FI Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 ZINC000587050559 FI Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 ZINC000587050564 FI Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 ZINC000587050567 FI Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 ZINC000587050570 FI Annotated Anodyne O=C1CCc2cc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc2N1 ZINC000587051163 FI Annotated Bother O=C1CCc2cc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc2N1 ZINC000587051169 FI Annotated Bother COc1cccc(-c2ccc(-c3nc4cc[nH]c(=N)c4[nH]3)c(Cl)c2)c1 ZINC000587051185 FI Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(Cl)c2)c1 ZINC000587051907 FI Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4C[C@H]4c4c(Cl)cccc4Cl)nc3cc2N1 ZINC000587052150 FI Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)nc3cc2N1 ZINC000587052151 FI Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)nc3cc2N1 ZINC000587052152 FI Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)nc3cc2N1 ZINC000587052153 FI Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c(Cl)c2)c1 ZINC000587052401 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587052469 FI Annotated Anodyne CCc1cc(OCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1Cl ZINC000587052511 FI Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587052513 FI Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(-n5cccc5)ccc4Cl)nc3cc2N1 ZINC000587052517 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587052533 FI Annotated Anodyne COc1cccc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(Cl)c2)c1 ZINC000587052552 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c32)n1 ZINC000587052604 FI Annotated Anodyne CCc1cc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1Cl ZINC000587052662 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587052696 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587052748 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 ZINC000587052749 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 ZINC000587052750 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587052753 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587052755 FI Annotated Anodyne CCc1cc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl ZINC000587052825 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2c1 ZINC000587052840 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587052899 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587052957 FI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587052973 FI Annotated Anodyne CCc1cc(OCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)ccc1Cl ZINC000587053001 FI Annotated Anodyne CCc1cc(OCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1Cl ZINC000587053016 FI Annotated Anodyne Sc1nc(S)c2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2n1 ZINC000587053038 FI Annotated Anodyne Oc1ccc(-c2nc3cccc(I)c3[nH]2)c(Cl)c1 ZINC000587053343 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(O)cc3Cl)[nH]c12 ZINC000587053387 FI Annotated Bother Clc1cccc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl ZINC000587053611 FI Annotated Anodyne Clc1cccc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl ZINC000587053612 FI Annotated Anodyne Sc1nc(S)c2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2n1 ZINC000587053618 FI Annotated Anodyne Sc1nc(S)c2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2n1 ZINC000587053619 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(O)cc3Cl)[nH]c21 ZINC000587053745 FI Annotated Clean O=S(=O)(O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587054246 FI Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587054247 FI Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\c4cccc(Cl)c4Cl)nc3cc2N1 ZINC000587054592 FI Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/c4cccc(Cl)c4Cl)nc3cc2N1 ZINC000587054593 FI Annotated Anodyne Oc1ccc(-c2nc3ccc(I)cc3[nH]2)c(Cl)c1 ZINC000587055124 FI Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl ZINC000587055265 FI Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl ZINC000587055266 FI Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4ncncc4[nH]3)o2)c1Cl ZINC000587055385 FI Annotated Anodyne N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1Cl ZINC000587055407 FI Annotated Bother N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1Cl ZINC000587055411 FI Annotated Bother Oc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)c1 ZINC000587055426 FI Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cnncc4[nH]3)o2)c1Cl ZINC000587055429 FI Annotated Anodyne N#Cc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587055448 FI Annotated Mild N#Cc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587055451 FI Annotated Mild N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl ZINC000587055499 FI Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl ZINC000587055500 FI Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4ncc[nH]c-4n3)o2)c1Cl ZINC000587055529 FI Annotated Anodyne N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587056009 FI Annotated Anodyne N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587056012 FI Annotated Anodyne N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587056648 FI Annotated Anodyne N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587056650 FI Annotated Anodyne O[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1Cl ZINC000587057596 FI Annotated Bother O[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1Cl ZINC000587057597 FI Annotated Bother N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587057720 FI Annotated Anodyne N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587057723 FI Annotated Anodyne O[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587057739 FI Annotated Anodyne O[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587057741 FI Annotated Anodyne N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccccc1Cl ZINC000587057808 FI Annotated Anodyne N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccccc1Cl ZINC000587057810 FI Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587058051 FI Annotated Mild N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587058052 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587058113 FI Annotated Bother N#Cc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587058248 FI Annotated Mild N#Cc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587058251 FI Annotated Mild N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1Cl ZINC000587058370 FI Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccccc1Cl ZINC000587058371 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587058564 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)cc2[nH]1 ZINC000587058630 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cccc(Br)c2[nH]1 ZINC000587058667 FI Annotated Anodyne O[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1Cl ZINC000587058699 FI Annotated Bother O[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1Cl ZINC000587058700 FI Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc(CCc3ccccc3Cl)nc1-2 ZINC000587058798 FI Annotated Anodyne N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl ZINC000587058800 FI Annotated Anodyne N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl ZINC000587058801 FI Annotated Anodyne O[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl ZINC000587058970 FI Annotated Anodyne O[C@H](c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1Cl ZINC000587058971 FI Annotated Anodyne O[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587058982 FI Annotated Anodyne O[C@H](c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587058983 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587059028 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCc3ccccc3Cl)nc12 ZINC000587059057 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587059133 FI Annotated Anodyne O=c1ccc(-c2nc3cnccc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059223 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 ZINC000587059258 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@H](O)c3ccccc3Cl)[nH]c12 ZINC000587059259 FI Annotated Anodyne Oc1c(Br)ccc2nc(CCc3ccccc3Cl)[nH]c12 ZINC000587059262 FI Annotated Anodyne O[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587059273 FI Annotated Anodyne O[C@H](c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587059274 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(CCc3ccccc3Cl)nc12 ZINC000587059315 FI Annotated Anodyne Cc1nc2[nH]c(CCc3ccccc3Cl)nc2cc1Br ZINC000587059344 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587059395 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587059405 FI Annotated Anodyne O[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587059422 FI Annotated Anodyne O[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587059423 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 ZINC000587059454 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 ZINC000587059455 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)cc1N ZINC000587059460 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)cc1N ZINC000587059462 FI Annotated Anodyne O=c1ccc(-c2nc3cccnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059525 FI Annotated Anodyne O[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1Cl ZINC000587059675 FI Annotated Anodyne O[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1Cl ZINC000587059676 FI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587059697 FI Annotated Anodyne O[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl ZINC000587059754 FI Annotated Anodyne O[C@H](c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1Cl ZINC000587059756 FI Annotated Anodyne Cc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br ZINC000587060015 FI Annotated Anodyne Cc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br ZINC000587060016 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](O)c3ccccc3Cl)nc2c1 ZINC000587060025 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](O)c3ccccc3Cl)nc2c1 ZINC000587060026 FI Annotated Anodyne O[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl ZINC000587060044 FI Annotated Anodyne O[C@H](c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1Cl ZINC000587060045 FI Annotated Anodyne N=c1[nH]cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc-2[nH]1 ZINC000587060154 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNc3ccccc3Cl)nc2c1 ZINC000587060231 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 ZINC000587060277 FI Annotated Mild N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)c(F)cc3[nH]2)c[nH]1 ZINC000587060340 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 ZINC000587060551 FI Annotated Anodyne CSc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 ZINC000587060568 FI Annotated Anodyne Oc1c(Br)ccc2nc(CNc3ccccc3Cl)[nH]c12 ZINC000587060632 FI Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc(F)c(F)c3[nH]2)c[nH]1 ZINC000587060685 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(CNc3ccccc3Cl)nc12 ZINC000587060730 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c1 ZINC000587060866 FI Annotated Anodyne Cc1nc2[nH]c(CNc3ccccc3Cl)nc2cc1Br ZINC000587060944 FI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060975 FI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587061212 FI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587061213 FI Annotated Anodyne COc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1C ZINC000587061229 FI Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)cc(F)c3[nH]2)c[nH]1 ZINC000587061273 FI Annotated Anodyne Cc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1F ZINC000587061311 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CNc3ccccc3Cl)nc1-2 ZINC000587061312 FI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587061437 FI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587061438 FI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(OC)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061503 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 ZINC000587061601 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 ZINC000587061602 FI Annotated Anodyne C=CCc1cccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 ZINC000587061771 FI Annotated Mild CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587062024 FI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587062025 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587062038 FI Annotated Mild CCN1C(=O)C[C@@H](c2nc3cccc(C#N)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062071 FI Annotated Mild CCN1C(=O)C[C@@H](c2nc3cccc(F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062150 FI Annotated Anodyne FC(F)(F)c1ncc2nc(-c3coc(-c4ccccc4Cl)n3)nc-2[nH]1 ZINC000587062159 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(CNc3ccccc3Cl)nc12 ZINC000587062320 FI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(C)nc(C)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062445 FI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(C#N)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062454 FI Annotated Mild CCN1C(=O)C[C@@H](c2nc3cccc(OC)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062652 FI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587062823 FI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587062825 FI Annotated Anodyne Cc1onc(-c2nc3ccnc(C)c3[nH]2)c1COc1ccccc1Cl ZINC000587062845 FI Annotated Anodyne Cc1onc(-c2nc3c(C)cncc3[nH]2)c1COc1ccccc1Cl ZINC000587062955 FI Annotated Anodyne COc1cncc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc12 ZINC000587062967 FI Annotated Anodyne Cc1onc(-c2nc3ncc(F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587062968 FI Annotated Anodyne Cc1onc(-c2nc3c(O)cccc3[nH]2)c1COc1ccccc1Cl ZINC000587063188 FI Annotated Anodyne Cc1cnc2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2c1 ZINC000587063199 FI Annotated Anodyne COc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cn1 ZINC000587063212 FI Annotated Anodyne COc1nccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc12 ZINC000587063220 FI Annotated Anodyne N=c1[nH]c2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc-2c(Cl)[nH]1 ZINC000587063338 FI Annotated Anodyne Nc1ccnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 ZINC000587063365 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 ZINC000587063373 FI Annotated Anodyne COc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2n1 ZINC000587063482 FI Annotated Anodyne Cc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2n1 ZINC000587063584 FI Annotated Anodyne N#Cc1nc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2nc1C#N ZINC000587063585 FI Annotated Mild Cc1onc(-c2nc3nccc(C)c3[nH]2)c1COc1ccccc1Cl ZINC000587063680 FI Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063708 FI Annotated Anodyne O=c1cccc(-c2nc3ccccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063925 FI Annotated Anodyne COc1cnc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1Cl ZINC000587064082 FI Annotated Anodyne COc1cnc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1Cl ZINC000587064099 FI Annotated Anodyne COc1cnc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1Cl ZINC000587064130 FI Annotated Anodyne Clc1c[nH]c2nc(-c3ccc(COc4ccccc4Cl)o3)nc-2n1 ZINC000587064235 FI Annotated Anodyne COc1cnc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1Cl ZINC000587064237 FI Annotated Anodyne Clc1ncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2n1 ZINC000587064272 FI Annotated Anodyne COc1cnc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1Cl ZINC000587064301 FI Annotated Anodyne COc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cn1 ZINC000587064399 FI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c(C)c1Cl ZINC000587064519 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1Cl ZINC000587064552 FI Annotated Anodyne COc1cnc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1Cl ZINC000587064641 FI Annotated Anodyne COc1cnc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1Cl ZINC000587064698 FI Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064720 FI Annotated Bother COc1cnc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1Cl ZINC000587064736 FI Annotated Anodyne COc1nccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 ZINC000587064768 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cl ZINC000587064770 FI Annotated Bother COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587064784 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Br)c(C)c3[nH]2)c1Cl ZINC000587064810 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Cl)cc2[nH]1 ZINC000587064845 FI Annotated Anodyne COc1nccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064885 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587064937 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587064988 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C)cc(Br)c3[nH]2)c1Cl ZINC000587064994 FI Annotated Anodyne COc1cnc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Cl ZINC000587065067 FI Annotated Bother O=[N+]([O-])c1cnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587065076 FI Annotated Bother Clc1ccccc1OCc1ccc(-c2nc3ncnc(Cl)c3[nH]2)o1 ZINC000587065099 FI Annotated Anodyne COc1cnc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1Cl ZINC000587065108 FI Annotated Anodyne COc1cnc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)cc1Cl ZINC000587065111 FI Annotated Mild COc1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587065120 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(Cl)c2[nH]1 ZINC000587065165 FI Annotated Anodyne COc1cncc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 ZINC000587065167 FI Annotated Anodyne COc1cnc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1Cl ZINC000587065267 FI Annotated Anodyne Nc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1N ZINC000587065270 FI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c2)c(C)c1Cl ZINC000587065273 FI Annotated Mild Cc1nn(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)c(C)c1Cl ZINC000587065309 FI Annotated Anodyne COc1cnc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1Cl ZINC000587065362 FI Annotated Anodyne COc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cn1 ZINC000587065388 FI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c(C)c1Cl ZINC000587065392 FI Annotated Anodyne COc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2n1 ZINC000587065408 FI Annotated Anodyne COc1cnc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1Cl ZINC000587065430 FI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c(C)c1Cl ZINC000587065471 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587065522 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Cl ZINC000587065540 FI Annotated Bother Cc1nn(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c(C)c1Cl ZINC000587065594 FI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c(C)c1Cl ZINC000587065615 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)cc(C)c3[nH]2)c1Cl ZINC000587065623 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ncccc3Cl)[nH]c21 ZINC000587065667 FI Annotated Clean CCOc1n[nH]c(-c2nc3cc(C)c(Br)cc3[nH]2)c1Cl ZINC000587065682 FI Annotated Anodyne COc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2n1 ZINC000587065700 FI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)c(C)c1Cl ZINC000587065715 FI Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1Cl ZINC000587065797 FI Annotated Clean CCOc1n[nH]c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1Cl ZINC000587065818 FI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587065884 FI Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587065895 FI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587065912 FI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cn1 ZINC000587065918 FI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 ZINC000587066055 FI Annotated Bother Cc1cc(Cl)ccc1O[C@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587066121 FI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 ZINC000587066139 FI Annotated Bother COc1cc(Cl)ccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587066159 FI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587066187 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3OC)nc2c1 ZINC000587066196 FI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587066270 FI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587066360 FI Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587066412 FI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587066416 FI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587066547 FI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587066551 FI Annotated Mild C=CCc1cccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c12 ZINC000587066565 FI Annotated Mild CNc1cc(Cl)ccc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587066605 FI Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587066607 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587066750 FI Annotated Mild COc1cc(Cl)cc(C=O)c1OCc1nc2cnc3ccccc3c2[nH]1 ZINC000587066879 FI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587066886 FI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587066918 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3ncccc3c2[nH]1 ZINC000587066922 FI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587067027 FI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C#Cc3ccc(Cl)cc3C)nc2c1 ZINC000587067071 FI Annotated Mild CNc1cc(Cl)ccc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587067072 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587067116 FI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587067123 FI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587067127 FI Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587067131 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2n1 ZINC000587067173 FI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587067214 FI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587067216 FI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587067257 FI Annotated Mild COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(SC)cc2[nH]1 ZINC000587067292 FI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587067361 FI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587067473 FI Annotated Anodyne COc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2n1 ZINC000587067599 FI Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ccnc(O)c4[nH]3)c2)cc1 ZINC000587067643 FI Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc12 ZINC000587067663 FI Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 ZINC000587067711 FI Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 ZINC000587067741 FI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587067782 FI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)Oc3ccc(Cl)cc3C)nc2cc1OC ZINC000587067815 FI Annotated Anodyne COc1cncc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587067842 FI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4ncc(Br)cc4[nH]3)n[nH]2)c1 ZINC000587067895 FI Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cnncc4[nH]3)cc2-c2ccco2)c1 ZINC000587067896 FI Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000587067900 FI Annotated Anodyne Cc1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1[N+](=O)[O-] ZINC000587067929 FI Annotated Bother Clc1cccc(-n2nc(-c3nc4cncnc4[nH]3)cc2-c2ccco2)c1 ZINC000587067947 FI Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1F ZINC000587067977 FI Annotated Bother Clc1cccc(-c2cc(-c3nc4cnc(Br)cc4[nH]3)n[nH]2)c1 ZINC000587067981 FI Annotated Anodyne COc1nccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587068011 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1OC ZINC000587068121 FI Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587068144 FI Annotated Mild COc1cc(OC)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587068179 FI Annotated Anodyne FC(F)(F)c1ncc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2n1 ZINC000587068194 FI Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3cc2N1 ZINC000587068195 FI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4c(Br)cncc4[nH]3)n[nH]2)c1 ZINC000587068231 FI Annotated Anodyne COc1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1OC ZINC000587068289 FI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4nc(Br)ccc4[nH]3)n[nH]2)c1 ZINC000587068326 FI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587068462 FI Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ncc[nH]c-4n3)cc2-c2ccco2)c1 ZINC000587068549 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587068557 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587068558 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587068559 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587068560 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587068648 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587068652 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587068660 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587068663 FI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4c(Br)nccc4[nH]3)n[nH]2)c1 ZINC000587068688 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587068768 FI Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587068769 FI Annotated Bother C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587068947 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587068950 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587069216 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587069219 FI Annotated Anodyne Cc1nc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587069245 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587069294 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587069295 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587069395 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587069396 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587069422 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587069423 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587069424 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587069425 FI Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587069607 FI Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587069614 FI Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587069617 FI Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587069620 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000587069936 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000587069940 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587070004 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587070007 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587070117 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587070121 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587070453 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587070456 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587070619 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587070620 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587070722 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587070723 FI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587070737 FI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587070738 FI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000587070855 FI Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587070954 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587070956 FI Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000587070971 FI Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000587070973 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587071057 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587071058 FI Annotated Anodyne Oc1nncc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587071081 FI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587071101 FI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587071103 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c32)n1 ZINC000587071245 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c32)n1 ZINC000587071246 FI Annotated Anodyne COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000587071259 FI Annotated Anodyne COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000587071260 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccnc2[nH]1)c1cccc(Cl)c1 ZINC000587071382 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccnc2[nH]1)c1cccc(Cl)c1 ZINC000587071383 FI Annotated Anodyne N=c1[nH]ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587071384 FI Annotated Anodyne N=c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c[nH]1 ZINC000587071462 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnccc2[nH]1)c1cccc(Cl)c1 ZINC000587071823 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cnccc2[nH]1)c1cccc(Cl)c1 ZINC000587071825 FI Annotated Anodyne Cc1c(Br)cnc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587072250 FI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4nccc(Br)c4[nH]3)n[nH]2)c1 ZINC000587072330 FI Annotated Anodyne N#Cc1cc(Br)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587072496 FI Annotated Mild Oc1ncnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 ZINC000587072616 FI Annotated Anodyne COC(=O)c1cc(Cl)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587072831 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587073150 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 ZINC000587073157 FI Annotated Anodyne O=C1CCc2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc2N1 ZINC000587073257 FI Annotated Anodyne CN(C)CCOc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587073272 FI Annotated Anodyne Cc1c(-c2nc3cc(F)cc(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073368 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073388 FI Annotated Mild N#Cc1nc(Cl)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073389 FI Annotated Mild Cc1c(-c2nc3cc(F)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073419 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1[N+](=O)[O-] ZINC000587073427 FI Annotated Bother CN(C)C(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587073431 FI Annotated Anodyne Cc1c(-c2nc3cccc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073538 FI Annotated Anodyne Cc1c(-c2nc3ccc4ncccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073539 FI Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587073578 FI Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587073905 FI Annotated Mild Cc1c(-c2nc3cnc4ccccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073940 FI Annotated Anodyne Cc1c(-c2nc3ccc(Cl)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074047 FI Annotated Anodyne Cc1c(-c2nc3ccc(F)c(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074078 FI Annotated Anodyne O=C1COc2cc3[nH]c(C4(c5ccc(Cl)cc5)CCC4)nc3cc2N1 ZINC000587074242 FI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 ZINC000587074310 FI Annotated Anodyne COC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1OC ZINC000587074369 FI Annotated Anodyne CCc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587074372 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 ZINC000587074388 FI Annotated Anodyne COC(=O)c1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1OC ZINC000587074461 FI Annotated Anodyne COC(=O)c1cc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2cc1OC ZINC000587074518 FI Annotated Anodyne FC(F)(F)c1ncc2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2[nH]1 ZINC000587074570 FI Annotated Anodyne COC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1OC ZINC000587074634 FI Annotated Anodyne FC(F)(F)c1ncc2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2[nH]1 ZINC000587074665 FI Annotated Anodyne Cc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1C ZINC000587074698 FI Annotated Anodyne Cc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1F ZINC000587074718 FI Annotated Anodyne COc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1C ZINC000587074774 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 ZINC000587074780 FI Annotated Anodyne Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1C ZINC000587074792 FI Annotated Anodyne COc1cncc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc12 ZINC000587074931 FI Annotated Anodyne Cc1onc(-c2nc3ncc(F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587074947 FI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)nn2)cc1 ZINC000587074958 FI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c32)n1 ZINC000587074980 FI Annotated Anodyne Cc1onc(-c2nc3c(C)cncc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587074999 FI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1F ZINC000587075003 FI Annotated Anodyne CC(C)Oc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587075010 FI Annotated Anodyne Cc1cnc2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2c1 ZINC000587075011 FI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587075034 FI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587075035 FI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075099 FI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075100 FI Annotated Anodyne Cc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1F ZINC000587075120 FI Annotated Anodyne COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1OC ZINC000587075121 FI Annotated Anodyne Cc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075151 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587075154 FI Annotated Mild Cc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075155 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587075158 FI Annotated Mild Cc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075165 FI Annotated Bother Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075172 FI Annotated Anodyne Cc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075198 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1 ZINC000587075204 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 ZINC000587075273 FI Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587075302 FI Annotated Anodyne COc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cn1 ZINC000587075427 FI Annotated Anodyne OCCc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 ZINC000587075428 FI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)nn2)cc1 ZINC000587075455 FI Annotated Anodyne COc1cncc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 ZINC000587075458 FI Annotated Anodyne Cc1onc(-c2nc3nccc(C)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075488 FI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cn1 ZINC000587075506 FI Annotated Anodyne Cc1c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075550 FI Annotated Mild Fc1c(F)c(F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1F ZINC000587075562 FI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1F ZINC000587075571 FI Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cnn1-c1ccc(Cl)cc1 ZINC000587075588 FI Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4ccc(Cl)nc4[nH]3)o2)cc1 ZINC000587075590 FI Annotated Anodyne Cc1c(F)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587075596 FI Annotated Anodyne COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1C ZINC000587075603 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c12 ZINC000587075604 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587075622 FI Annotated Mild COc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587075668 FI Annotated Anodyne Cc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2n1 ZINC000587075753 FI Annotated Anodyne Cc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075801 FI Annotated Anodyne Cc1c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075813 FI Annotated Mild Clc1ccc(-n2cc(-c3nc4cccc(Br)c4[nH]3)nn2)cc1 ZINC000587075825 FI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccc(Br)cc4[nH]3)nn2)cc1 ZINC000587075830 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587075865 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587075866 FI Annotated Anodyne COc1nccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc12 ZINC000587075871 FI Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)cnn1-c1ccc(Cl)cc1 ZINC000587075915 FI Annotated Anodyne COc1nccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 ZINC000587075933 FI Annotated Anodyne Cc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075958 FI Annotated Bother Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587075996 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587075998 FI Annotated Bother Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587076040 FI Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587076057 FI Annotated Bother Fc1cnc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587076152 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587076153 FI Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4ccnc(Cl)c4[nH]3)o2)cc1 ZINC000587076163 FI Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cncc(Cl)c4[nH]3)o2)cc1 ZINC000587076203 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587076223 FI Annotated Bother COc1cc(OC)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1 ZINC000587076227 FI Annotated Anodyne COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1OC ZINC000587076240 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587076249 FI Annotated Mild Cc1onc(-c2nc3ccnc(C)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076363 FI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587076545 FI Annotated Anodyne Cc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076569 FI Annotated Bother Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587076572 FI Annotated Anodyne Cc1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1[N+](=O)[O-] ZINC000587076598 FI Annotated Bother Cc1cc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1[N+](=O)[O-] ZINC000587076602 FI Annotated Bother Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587076617 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587076644 FI Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587076657 FI Annotated Anodyne N#Cc1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1C#N ZINC000587076659 FI Annotated Mild Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587076690 FI Annotated Bother Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587076716 FI Annotated Anodyne Cc1cc(F)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587076759 FI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)nn2)cc1 ZINC000587076824 FI Annotated Anodyne COc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2n1 ZINC000587076831 FI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)nn2)cc1 ZINC000587076838 FI Annotated Anodyne Fc1c(Cl)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1F ZINC000587076874 FI Annotated Anodyne COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Cl ZINC000587076894 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 ZINC000587076911 FI Annotated Anodyne Fc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1F ZINC000587076958 FI Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587077080 FI Annotated Anodyne Sc1nc(S)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2n1 ZINC000587077179 FI Annotated Anodyne COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cn1 ZINC000587077196 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2n1 ZINC000587077209 FI Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 ZINC000587077258 FI Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 ZINC000587077259 FI Annotated Anodyne Fc1cc(F)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587077272 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587077318 FI Annotated Bother O=[N+]([O-])c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587077319 FI Annotated Bother Clc1ccc(-c2nnc(CCc3nc4c(Cl)ccnc4[nH]3)o2)cc1 ZINC000587077343 FI Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 ZINC000587077347 FI Annotated Bother Clc1ccc(C2(c3nc4nc(Br)c[nH]c-4n3)CCC2)cc1 ZINC000587077372 FI Annotated Anodyne COc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2n1 ZINC000587077375 FI Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587077398 FI Annotated Anodyne COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl ZINC000587077549 FI Annotated Anodyne COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl ZINC000587077550 FI Annotated Anodyne COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1F ZINC000587077601 FI Annotated Anodyne CC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587077606 FI Annotated Anodyne Fc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c(F)c1F ZINC000587077745 FI Annotated Anodyne Fc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c(F)c1F ZINC000587077747 FI Annotated Anodyne Cc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c(C)n1 ZINC000587077777 FI Annotated Anodyne NC(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078107 FI Annotated Clean COc1nccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078127 FI Annotated Clean COc1cncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078172 FI Annotated Clean COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 ZINC000587078213 FI Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3nc(Cl)c[nH]c-3n1)N2 ZINC000587078235 FI Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)ncnc3[nH]1)N2 ZINC000587078354 FI Annotated Clean COc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1 ZINC000587078450 FI Annotated Clean NC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587078470 FI Annotated Clean Nc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1N ZINC000587078553 FI Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cnc(Cl)[nH]c-3n1)N2 ZINC000587078610 FI Annotated Clean CC[C@@H](C)n1cc(Cl)c(-c2nc3cnc(Br)cc3[nH]2)n1 ZINC000587078782 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cnc(Br)cc3[nH]2)n1 ZINC000587078784 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 ZINC000587078848 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 ZINC000587078849 FI Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1cc(Cl)cn1 ZINC000587079045 FI Annotated Anodyne C[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)n1cc(Cl)cn1 ZINC000587079048 FI Annotated Anodyne Cc1nc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1Br ZINC000587079164 FI Annotated Anodyne Cc1nc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1Br ZINC000587079165 FI Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587079220 FI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587079225 FI Annotated Anodyne Cc1c(Br)cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1C ZINC000587079230 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)n1 ZINC000587079231 FI Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1C ZINC000587079232 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)n1 ZINC000587079234 FI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc3ccccc3c2[nH]1 ZINC000587079247 FI Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc3ccccc3c2[nH]1 ZINC000587079251 FI Annotated Anodyne Clc1ccc2ccn(Cc3nc4ccc(Br)nc4[nH]3)c2c1 ZINC000587079255 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(Br)ccc3[nH]2)n1 ZINC000587079288 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3nc(Br)ccc3[nH]2)n1 ZINC000587079290 FI Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587079299 FI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587079300 FI Annotated Anodyne C[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079332 FI Annotated Anodyne C[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079337 FI Annotated Anodyne CCOC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587079413 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)n1 ZINC000587079555 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)n1 ZINC000587079557 FI Annotated Anodyne Cc1cc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2cc1[N+](=O)[O-] ZINC000587079628 FI Annotated Bother Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2cc1[N+](=O)[O-] ZINC000587079631 FI Annotated Bother Clc1ccc2ccn(Cc3nc4c(Br)ccnc4[nH]3)c2c1 ZINC000587079700 FI Annotated Anodyne Clc1ccc2ccn(Cc3nc4cncc(Br)c4[nH]3)c2c1 ZINC000587079704 FI Annotated Anodyne Clc1ccc2ccn(Cc3nc4ccnc(Br)c4[nH]3)c2c1 ZINC000587079776 FI Annotated Anodyne C[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1cc(Cl)cn1 ZINC000587079859 FI Annotated Anodyne C[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)n1cc(Cl)cn1 ZINC000587079868 FI Annotated Anodyne FC1(F)Oc2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2O1 ZINC000587079884 FI Annotated Anodyne FC1(F)Oc2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2O1 ZINC000587079886 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3nccc(Br)c3[nH]2)n1 ZINC000587079908 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3nccc(Br)c3[nH]2)n1 ZINC000587079909 FI Annotated Anodyne CC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587079916 FI Annotated Anodyne CC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587079918 FI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Cl ZINC000587079969 FI Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Cl ZINC000587079973 FI Annotated Bother Cc1c(Br)cnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12 ZINC000587080046 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12 ZINC000587080047 FI Annotated Anodyne O=C(CCCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Cl)cn1 ZINC000587080137 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cncc3[nH]2)n1 ZINC000587080155 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cncc3[nH]2)n1 ZINC000587080156 FI Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1OC ZINC000587080238 FI Annotated Anodyne COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F ZINC000587080253 FI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F ZINC000587080259 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)nccc3[nH]2)n1 ZINC000587080341 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)nccc3[nH]2)n1 ZINC000587080342 FI Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cc(Br)cnc3[nH]1)O2 ZINC000587080350 FI Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cnc3[nH]1)O2 ZINC000587080353 FI Annotated Anodyne Oc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080402 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587080427 FI Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3ccc(Br)nc3[nH]1)O2 ZINC000587080448 FI Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)nc3[nH]1)O2 ZINC000587080451 FI Annotated Anodyne Fc1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587080485 FI Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc(Cl)cn1 ZINC000587080618 FI Annotated Anodyne C[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc(Cl)cn1 ZINC000587080619 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587080638 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587080643 FI Annotated Anodyne Fc1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1-n1cccn1 ZINC000587080665 FI Annotated Anodyne Fc1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1-n1cccn1 ZINC000587080666 FI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1C ZINC000587080692 FI Annotated Anodyne COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1C ZINC000587080694 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587080761 FI Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587080762 FI Annotated Anodyne CN(C)CCOc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587080775 FI Annotated Anodyne O=C(CCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Cl)cn1 ZINC000587080776 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)n1 ZINC000587080957 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)n1 ZINC000587080960 FI Annotated Anodyne O=C1CCc2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc2N1 ZINC000587080965 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1[N+](=O)[O-] ZINC000587080976 FI Annotated Bother O=C(CCCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081016 FI Annotated Anodyne Cc1cncc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081052 FI Annotated Anodyne Clc1ccc2ccn(Cc3nc4cc(Br)cnc4[nH]3)c2c1 ZINC000587081066 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587081083 FI Annotated Clean Clc1ccc2c(c1)C[C@H](c1nc3c(Br)ccnc3[nH]1)O2 ZINC000587081164 FI Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccnc3[nH]1)O2 ZINC000587081166 FI Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cncc(Br)c3[nH]1)O2 ZINC000587081200 FI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)ncc(F)c3[nH]2)n1 ZINC000587081254 FI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)ncc(F)c3[nH]2)n1 ZINC000587081255 FI Annotated Anodyne Cc1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081311 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587081385 FI Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587081386 FI Annotated Mild Clc1ccc2c(c1)C[C@@H](c1nc3cncc(Br)c3[nH]1)O2 ZINC000587081392 FI Annotated Anodyne Clc1ccc2ccn(Cc3nc4cc(Br)ncc4[nH]3)c2c1 ZINC000587081407 FI Annotated Anodyne COC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1OC ZINC000587081418 FI Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cc(Br)ncc3[nH]1)O2 ZINC000587081425 FI Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3cc(Br)ncc3[nH]1)O2 ZINC000587081426 FI Annotated Anodyne Clc1ccc2ccn(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c2c1 ZINC000587081433 FI Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3ccnc(Br)c3[nH]1)O2 ZINC000587081482 FI Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3ccnc(Br)c3[nH]1)O2 ZINC000587081483 FI Annotated Anodyne Fc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1F ZINC000587081517 FI Annotated Anodyne Cc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2n1 ZINC000587081541 FI Annotated Anodyne Cc1ccnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081545 FI Annotated Anodyne COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1C ZINC000587081556 FI Annotated Anodyne Cc1nccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081572 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 ZINC000587081617 FI Annotated Mild COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Cl ZINC000587081634 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587081724 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587081725 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12 ZINC000587081727 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12 ZINC000587081728 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587081747 FI Annotated Clean Clc1cnn(COc2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 ZINC000587081765 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 ZINC000587081780 FI Annotated Anodyne COc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587081788 FI Annotated Anodyne COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1F ZINC000587081842 FI Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 ZINC000587081886 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587081895 FI Annotated Bother N#Cc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081939 FI Annotated Mild Cc1cc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2cc1[N+](=O)[O-] ZINC000587081950 FI Annotated Bother Clc1cnn(COc2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 ZINC000587082118 FI Annotated Anodyne Cc1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c(C)n1 ZINC000587082127 FI Annotated Anodyne N=c1[nH]cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc-2[nH]1 ZINC000587082240 FI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082263 FI Annotated Bother O=C(CCCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Cl)cn1 ZINC000587082283 FI Annotated Anodyne O=C(CCCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Cl)cn1 ZINC000587082314 FI Annotated Anodyne Fc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1F ZINC000587082349 FI Annotated Anodyne Clc1cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082357 FI Annotated Anodyne C[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082372 FI Annotated Clean C[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082375 FI Annotated Clean Clc1cnn(COc2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 ZINC000587082466 FI Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 ZINC000587082500 FI Annotated Anodyne COc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082577 FI Annotated Anodyne COC(=O)c1ccnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 ZINC000587082661 FI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082817 FI Annotated Anodyne O=C(CCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082849 FI Annotated Anodyne C[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082947 FI Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082949 FI Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 ZINC000587083042 FI Annotated Anodyne O=C(CCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587083064 FI Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083098 FI Annotated Bother COC(=O)c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cn1 ZINC000587083136 FI Annotated Anodyne Clc1ncc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2[nH]1 ZINC000587083153 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2n1 ZINC000587083400 FI Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083478 FI Annotated Bother Clc1c[nH]c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2n1 ZINC000587083491 FI Annotated Anodyne COc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)n1 ZINC000587083570 FI Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)n1 ZINC000587083631 FI Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2n1 ZINC000587083691 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2n1 ZINC000587083752 FI Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 ZINC000587083793 FI Annotated Bother COc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)n1 ZINC000587083841 FI Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083844 FI Annotated Bother COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)n1 ZINC000587083861 FI Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc(C3(c4cccc(Cl)n4)CC3)nc1-2 ZINC000587083933 FI Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 ZINC000587083966 FI Annotated Anodyne COc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(Cl)n1 ZINC000587084060 FI Annotated Anodyne Oc1c(Br)ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 ZINC000587084158 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc12 ZINC000587084239 FI Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)n1 ZINC000587084242 FI Annotated Anodyne COc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(Cl)n1 ZINC000587084245 FI Annotated Mild COc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(Cl)n1 ZINC000587084311 FI Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)n1 ZINC000587084361 FI Annotated Anodyne Fc1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1-n1cccn1 ZINC000587084395 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587084456 FI Annotated Anodyne Clc1nccnc1N1CCC(c2nc3ccc4c(c3[nH]2)CCCC4)CC1 ZINC000587084519 FI Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 ZINC000587084609 FI Annotated Anodyne Cc1cc(Cl)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084619 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc(Cl)c(Cl)n3)nc1-2 ZINC000587084705 FI Annotated Anodyne Fc1cc(Cl)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084812 FI Annotated Anodyne C=CCc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084932 FI Annotated Mild Fc1cnc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c12 ZINC000587084963 FI Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 ZINC000587084983 FI Annotated Anodyne Cc1nc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1Br ZINC000587085015 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1OC ZINC000587085022 FI Annotated Anodyne Cc1nc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1Br ZINC000587085029 FI Annotated Anodyne Cc1c(Br)cnc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c12 ZINC000587085050 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587085164 FI Annotated Mild N#Cc1nc(Cl)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587085240 FI Annotated Mild Cc1c(Cl)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085510 FI Annotated Anodyne CC(C)(C)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587085514 FI Annotated Anodyne CC(C)Oc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587085534 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587085586 FI Annotated Bother COc1cc(OC)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085619 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587085705 FI Annotated Bother CN(C)CCOc1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 ZINC000587085809 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1OC ZINC000587085818 FI Annotated Anodyne CC(C)Oc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br ZINC000587085943 FI Annotated Anodyne CCCOc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br ZINC000587086087 FI Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)c(Cl)n1 ZINC000587086280 FI Annotated Anodyne COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)c(Cl)n1 ZINC000587086361 FI Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587086382 FI Annotated Anodyne Cc1nc2[nH]c([C@@H](Br)C(C)(C)F)nc2cc1Br ZINC000587086483 FI Annotated Reactive Cc1nc2[nH]c([C@H](Br)C(C)(C)F)nc2cc1Br ZINC000587086484 FI Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1 ZINC000587086534 FI Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 ZINC000587086535 FI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587086579 FI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587086580 FI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587086661 FI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587086662 FI Annotated Reactive Cc1c(Br)cnc2[nH]c([C@@H](Br)C(C)(C)F)nc12 ZINC000587086686 FI Annotated Reactive Cc1c(Br)cnc2[nH]c([C@H](Br)C(C)(C)F)nc12 ZINC000587086687 FI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587086711 FI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587086712 FI Annotated Reactive FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587086977 FI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587086985 FI Annotated Anodyne Cc1c(Br)ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587087082 FI Annotated Anodyne Cc1c(Br)ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587087085 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 ZINC000587087128 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 ZINC000587087130 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587087167 FI Annotated Bother CC(C)(C)c1ccc2nc(C(F)(Br)Br)[nH]c2n1 ZINC000587087341 FI Annotated Anodyne FC(Br)(Br)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587087394 FI Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587087495 FI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587087505 FI Annotated Reactive CSc1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087549 FI Annotated Anodyne Cc1ccc2c(ccc3nc(C(F)(Br)Br)[nH]c32)n1 ZINC000587087817 FI Annotated Anodyne Cc1c(Cl)ccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087959 FI Annotated Anodyne COc1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl ZINC000587087991 FI Annotated Anodyne Cc1cc(Cl)cc2nc(C(F)(Br)Br)[nH]c12 ZINC000587088008 FI Annotated Anodyne Fc1cc(Cl)cc2nc(C(F)(Br)Br)[nH]c12 ZINC000587088050 FI Annotated Anodyne Cc1cc(Br)cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088142 FI Annotated Anodyne Cc1cc(Br)cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088143 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1OC ZINC000587088276 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)cc1N ZINC000587088430 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)cc1N ZINC000587088431 FI Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c(Cl)n1 ZINC000587088439 FI Annotated Anodyne Cc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088519 FI Annotated Anodyne Cc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088520 FI Annotated Anodyne N#Cc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1C(F)(F)F ZINC000587088564 FI Annotated Mild N#Cc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1C(F)(F)F ZINC000587088565 FI Annotated Mild FC(F)=C(C[C@H]1CCCN1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587088604 FI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587088605 FI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587088609 FI Annotated Bother FC(F)=C(C[C@@H]1CCCN1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587088610 FI Annotated Bother FC(F)(c1ccccn1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587088799 FI Annotated Mild FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587088866 FI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587088868 FI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587088915 FI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587088916 FI Annotated Anodyne Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl ZINC000587088981 FI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587089057 FI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587089058 FI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587089061 FI Annotated Bother FC(F)=C(C[C@@H]1CCCN1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587089062 FI Annotated Bother Fc1cc2[nH]c(C(F)(Br)Br)nc2cc1Cl ZINC000587089071 FI Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587089414 FI Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587089421 FI Annotated Anodyne Cc1c(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c2c1C ZINC000587089514 FI Annotated Anodyne Fc1c(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c2c1F ZINC000587089569 FI Annotated Anodyne CCCOc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br ZINC000587089606 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1N ZINC000587089610 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1N ZINC000587089615 FI Annotated Anodyne CC(C)Oc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br ZINC000587089659 FI Annotated Anodyne Cc1nccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089871 FI Annotated Mild Cc1cncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089889 FI Annotated Mild Cc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c(C)n1 ZINC000587089999 FI Annotated Mild Oc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090050 FI Annotated Mild Cc1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090065 FI Annotated Mild FC(F)(F)[C@@](F)(Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587090165 FI Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587090166 FI Annotated Anodyne Oc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090184 FI Annotated Mild N#Cc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090272 FI Annotated Mild COc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090274 FI Annotated Mild Cc1ccnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090357 FI Annotated Mild Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587090362 FI Annotated Mild N#Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090455 FI Annotated Mild N#Cc1cc(Br)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 ZINC000587090467 FI Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 ZINC000587090470 FI Annotated Mild Fc1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090511 FI Annotated Mild Fc1c(F)c(F)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1F ZINC000587090915 FI Annotated Mild COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1F ZINC000587090924 FI Annotated Anodyne N#Cc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1C#N ZINC000587090933 FI Annotated Mild O=[N+]([O-])c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1F ZINC000587090959 FI Annotated Bother FC(F)(F)COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccn1 ZINC000587090990 FI Annotated Anodyne COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1OC ZINC000587091021 FI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccn1 ZINC000587091026 FI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587091127 FI Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091189 FI Annotated Bother FC(F)(F)CCc1ocnc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587091192 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2n1 ZINC000587091221 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 ZINC000587091242 FI Annotated Anodyne CC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587091251 FI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587091268 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587091375 FI Annotated Mild Cc1ccc2c(ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c32)n1 ZINC000587091555 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Cl ZINC000587091628 FI Annotated Bother FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587091642 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Cl ZINC000587091665 FI Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2cc(C)c(C)cc2[nH]1)C(F)(F)F ZINC000587091854 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C)c(C)cc2[nH]1)C(F)(F)F ZINC000587091855 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(F)c(F)c2[nH]1)C(F)(F)F ZINC000587091886 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(F)c(F)c2[nH]1)C(F)(F)F ZINC000587091887 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 ZINC000587091957 FI Annotated Mild CCOc1ccccc1[C@](N)(c1nc2ccc(F)c(C)c2[nH]1)C(F)(F)F ZINC000587091981 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(F)c(C)c2[nH]1)C(F)(F)F ZINC000587091983 FI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587092016 FI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587092159 FI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587092209 FI Annotated Anodyne O=C(O)c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1F ZINC000587092214 FI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccc(Br)cc3[nH]2)ccn1 ZINC000587092215 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c21 ZINC000587092342 FI Annotated Clean CCOc1ccccc1[C@@](N)(c1nc2ccc(CC)cc2[nH]1)C(F)(F)F ZINC000587092359 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(CC)cc2[nH]1)C(F)(F)F ZINC000587092363 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C)c(F)cc2[nH]1)C(F)(F)F ZINC000587092385 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C)c(F)cc2[nH]1)C(F)(F)F ZINC000587092386 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cccc(Cl)c2[nH]1)C(F)(F)F ZINC000587092405 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccc(Cl)c2[nH]1)C(F)(F)F ZINC000587092406 FI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cccc(Br)c2[nH]1 ZINC000587092417 FI Annotated Anodyne Fc1cc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2cc1-n1cccn1 ZINC000587092426 FI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1F ZINC000587092452 FI Annotated Mild FC(F)(F)CCc1ocnc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587092511 FI Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4ccccc4cc3[nH]2)nn1CC(F)(F)F ZINC000587092512 FI Annotated Bother N[C@H](N=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587092546 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587092550 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 ZINC000587092559 FI Annotated Anodyne COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Cl ZINC000587092573 FI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092582 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 ZINC000587092593 FI Annotated Anodyne Fc1c(Cl)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1F ZINC000587092608 FI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cccc(Br)c3[nH]2)ccn1 ZINC000587092638 FI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccn1 ZINC000587092649 FI Annotated Anodyne CC(C)Oc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 ZINC000587092680 FI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccn1 ZINC000587092718 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C)cc(F)c2[nH]1)C(F)(F)F ZINC000587092923 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C)cc(F)c2[nH]1)C(F)(F)F ZINC000587092926 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092997 FI Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2c(C)ccc(C)c2[nH]1)C(F)(F)F ZINC000587093030 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(C)ccc(C)c2[nH]1)C(F)(F)F ZINC000587093033 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1[N+](=O)[O-] ZINC000587093052 FI Annotated Bother CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587093065 FI Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(Cl)cc2[nH]1)C(F)(F)F ZINC000587093393 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Cl)cc2[nH]1)C(F)(F)F ZINC000587093399 FI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccn1 ZINC000587093444 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(C)c(C)c2[nH]1)C(F)(F)F ZINC000587093591 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(C)c(C)c2[nH]1)C(F)(F)F ZINC000587093592 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(F)c(F)cc2[nH]1)C(F)(F)F ZINC000587093616 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(F)c(F)cc2[nH]1)C(F)(F)F ZINC000587093617 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C)cc(C)c2[nH]1)C(F)(F)F ZINC000587093650 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C)cc(C)c2[nH]1)C(F)(F)F ZINC000587093651 FI Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(F)cc(F)c2[nH]1)C(F)(F)F ZINC000587093671 FI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(F)cc(F)c2[nH]1)C(F)(F)F ZINC000587093673 FI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccn1 ZINC000587093711 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093946 FI Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587094086 FI Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587094087 FI Annotated Anodyne CSc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094142 FI Annotated Anodyne CSc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094143 FI Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587094204 FI Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587094205 FI Annotated Anodyne C=CCc1cccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 ZINC000587094220 FI Annotated Mild C=CCc1cccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 ZINC000587094221 FI Annotated Mild Nc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1N ZINC000587095056 FI Annotated Anodyne Cc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1C(F)(F)F ZINC000587095133 FI Annotated Anodyne Nc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C(F)(F)F)c1 ZINC000587095169 FI Annotated Anodyne Cc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1C(F)(F)F ZINC000587095294 FI Annotated Anodyne COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(C(F)(F)F)c1 ZINC000587095339 FI Annotated Anodyne Cc1ccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1C(F)(F)F ZINC000587095366 FI Annotated Mild Nc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1N ZINC000587095444 FI Annotated Anodyne COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095529 FI Annotated Anodyne Cc1nc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2cc1Br ZINC000587095538 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 ZINC000587095578 FI Annotated Anodyne COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587095585 FI Annotated Anodyne COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095596 FI Annotated Anodyne Cc1ccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1C(F)(F)F ZINC000587095624 FI Annotated Anodyne COc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1OC ZINC000587095627 FI Annotated Anodyne Nc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095628 FI Annotated Anodyne Nc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095671 FI Annotated Bother COc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587095756 FI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095797 FI Annotated Mild COc1cc(OC)c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2c1 ZINC000587095849 FI Annotated Anodyne Nc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095879 FI Annotated Anodyne Cc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1C(F)(F)F ZINC000587095918 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(CC4)NC(=O)CC1)-c1ccccc1C2=O ZINC000587095992 FI Annotated Anodyne Cc1ccc2c3c(cc(C(C)(C)n4cncn4)nc13)-c1ccccc1C2=O ZINC000587096061 FI Annotated Anodyne COC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O ZINC000587096171 FI Annotated Anodyne COC(=O)[C@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O ZINC000587096172 FI Annotated Anodyne COC(=O)[C@H]1C(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096193 FI Annotated Anodyne CC(=O)c1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cnn1C ZINC000587096194 FI Annotated Anodyne COC(=O)[C@@H]1C(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096200 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096222 FI Annotated Anodyne CCOC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096223 FI Annotated Anodyne COC(=O)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587096313 FI Annotated Anodyne COC(=O)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587096316 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587096333 FI Annotated Anodyne CCOC(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587096334 FI Annotated Anodyne COC(=O)C1=Cc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587096353 FI Annotated Anodyne COC(=O)C[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096358 FI Annotated Anodyne COC(=O)C[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096359 FI Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc[nH]4)nc13)-c1ccccc1C2=O ZINC000587096375 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096504 FI Annotated Anodyne CCOC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096507 FI Annotated Anodyne COC(=O)[C@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1(C)C ZINC000587096606 FI Annotated Anodyne COC(=O)[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1(C)C ZINC000587096607 FI Annotated Anodyne C[C@@H](c1nc2nc(Br)c[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587096663 FI Annotated Anodyne C[C@H](c1nc2nc(Br)c[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587096669 FI Annotated Anodyne CCOC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 ZINC000587096697 FI Annotated Anodyne COc1ccc(-c2nc3cc(OC)cc(OC)c3[nH]2)c(C(F)(F)F)c1 ZINC000587096800 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](n1cnnc1)C4)-c1ccccc1C2=O ZINC000587096911 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](n1cnnc1)C4)-c1ccccc1C2=O ZINC000587096912 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])nn4C)nc13)-c1ccccc1C2=O ZINC000587096931 FI Annotated Bother FC(F)(F)c1ccccc1Cc1nc2ccnc(Br)c2[nH]1 ZINC000587097010 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c12 ZINC000587097108 FI Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587097183 FI Annotated Bother COC(=O)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587097308 FI Annotated Anodyne COC(=O)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587097311 FI Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097505 FI Annotated Anodyne C[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097506 FI Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C(F)(F)F)c1 ZINC000587097537 FI Annotated Anodyne COc1cc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ncn1 ZINC000587097545 FI Annotated Anodyne CCOC(=O)[C@H]1[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)C[C@H]21 ZINC000587097604 FI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2Cc3nc4c(C)ccc5c4c(c3[C@H]21)-c1ccccc1C5=O ZINC000587097612 FI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2Cc3nc4c(C)ccc5c4c(c3[C@H]21)-c1ccccc1C5=O ZINC000587097614 FI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2Cc3nc4c(C)ccc5c4c(c3[C@@H]21)-c1ccccc1C5=O ZINC000587097617 FI Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)OCC(C)C)nc13)-c1ccccc1C2=O ZINC000587097629 FI Annotated Anodyne Cc1ccc2c3c(cc(C4=CC=CN5C=CN[C@H]45)nc13)-c1ccccc1C2=O ZINC000587097692 FI Annotated Anodyne Cc1ccc2c3c(cc(C4=CC=CN5C=CN[C@@H]45)nc13)-c1ccccc1C2=O ZINC000587097695 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cnn(C)c1CC4)-c1ccccc1C2=O ZINC000587097696 FI Annotated Anodyne CCOC(=O)Cc1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587097831 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C(=O)O)no4)nc13)-c1ccccc1C2=O ZINC000587097888 FI Annotated Anodyne C=CN1CC[C@@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C1=O ZINC000587097916 FI Annotated Anodyne C=CN1CC[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C1=O ZINC000587097918 FI Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2ccc(Br)nc2[nH]1 ZINC000587097937 FI Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2cncc(Br)c2[nH]1 ZINC000587097951 FI Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587097953 FI Annotated Anodyne CCOC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587097956 FI Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccccc1C(F)(F)F ZINC000587097984 FI Annotated Anodyne C[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccccc1C(F)(F)F ZINC000587097985 FI Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C(F)(F)F)c1 ZINC000587098041 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587098058 FI Annotated Bother FC(F)(F)c1ccccc1Cc1nc2cc(Br)ncc2[nH]1 ZINC000587098133 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1OC ZINC000587098147 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c(C(=O)O)c4)nc13)-c1ccccc1C2=O ZINC000587098173 FI Annotated Anodyne CC(=O)c1cnn(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098248 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587098297 FI Annotated Anodyne CCOC(=O)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587098300 FI Annotated Anodyne COC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587098304 FI Annotated Anodyne COC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587098308 FI Annotated Anodyne COC(=O)[C@H]1CCCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098354 FI Annotated Anodyne COC(=O)[C@@H]1CCCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098356 FI Annotated Anodyne COC(=O)C[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098359 FI Annotated Anodyne COC(=O)C[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098362 FI Annotated Anodyne CCCc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098428 FI Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]21 ZINC000587098458 FI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]21 ZINC000587098460 FI Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]21 ZINC000587098462 FI Annotated Anodyne CCOC(=O)[C@H]1[C@H]2c3nc4c(C)ccc5c4c(c3C[C@H]21)-c1ccccc1C5=O ZINC000587098464 FI Annotated Anodyne COC(=O)[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098492 FI Annotated Anodyne COC(=O)[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098493 FI Annotated Anodyne Fc1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1C(F)(F)F ZINC000587098590 FI Annotated Mild COc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587098616 FI Annotated Bother Cc1ccc2c3c(cc(-c4cc(C(=O)O)n(C)c4)nc13)-c1ccccc1C2=O ZINC000587098657 FI Annotated Anodyne C[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587098696 FI Annotated Anodyne C[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587098697 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4c([N+](=O)[O-])cnn4C)nc13)-c1ccccc1C2=O ZINC000587098708 FI Annotated Bother COC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098759 FI Annotated Anodyne COC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098760 FI Annotated Anodyne COC(=O)C[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098773 FI Annotated Anodyne COC(=O)C[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098774 FI Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C(F)(F)F)c1 ZINC000587098809 FI Annotated Anodyne COC(=O)[C@@]1(C)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098836 FI Annotated Anodyne COC(=O)[C@]1(C)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098839 FI Annotated Anodyne COc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587098903 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4nn(C)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000587098922 FI Annotated Bother C[C@H](c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098924 FI Annotated Anodyne C[C@@H](c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098925 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4cn5cccnc5n4)nc13)-c1ccccc1C2=O ZINC000587098979 FI Annotated Anodyne Cc1ccc2c3c(cc(/C=C/N4CCOCC4)nc13)-c1ccccc1C2=O ZINC000587098995 FI Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2cc(Br)cnc2[nH]1 ZINC000587099054 FI Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2c(Br)ccnc2[nH]1 ZINC000587099108 FI Annotated Anodyne COC1=Cc2nc3c(C)ccc4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000587099243 FI Annotated Anodyne COC1=Cc2nc3c(C)ccc4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000587099244 FI Annotated Anodyne COC(=O)C[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099314 FI Annotated Anodyne COC(=O)C[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099315 FI Annotated Anodyne CC(=O)O[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587099740 FI Annotated Anodyne CC(=O)O[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587099741 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](C(=O)O)CC4)-c1ccccc1C2=O ZINC000587100685 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(=O)O)CC4)-c1ccccc1C2=O ZINC000587100687 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](CC(=O)O)C4)-c1ccccc1C2=O ZINC000587100729 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](CC(=O)O)C4)-c1ccccc1C2=O ZINC000587100730 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(=N)[nH]c1CC4)-c1ccccc1C2=O ZINC000587100837 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3CBr ZINC000587100896 FI Annotated Reactive O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3CBr ZINC000587100897 FI Annotated Reactive Cc1ccc2c3c(c4c(nc13)CCC[C@@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587100944 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC[C@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587100945 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101033 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101037 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101040 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101042 FI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)Cc1sc(=N)[nH]c1C4)-c1ccccc1C2=O ZINC000587101111 FI Annotated Anodyne CCOC(=O)Cc1c(CCl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101261 FI Annotated Reactive O=C[C@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101417 FI Annotated Reactive O=C[C@@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101428 FI Annotated Reactive CC(=O)[C@@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101454 FI Annotated Reactive CC(=O)[C@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101457 FI Annotated Reactive O=C(CBr)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101717 FI Annotated Reactive CCOC(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101733 FI Annotated Reactive CCOC(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101735 FI Annotated Reactive Cc1ccc2c3c(cc(C4C(=O)CCCC4=O)nc13)-c1ccccc1C2=O ZINC000587101840 FI Annotated Anodyne Cc1ccc2c3c(c(CCCC4OCCO4)cnc13)-c1ccccc1C2=O ZINC000587102177 FI Annotated Anodyne COC(=O)[C@@H](Cl)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587102216 FI Annotated Reactive COC(=O)[C@H](Cl)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587102218 FI Annotated Reactive O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Br)C(=O)C3 ZINC000587102463 FI Annotated Reactive O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Br)C(=O)C3 ZINC000587102464 FI Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1[nH]c(=N)sc1CC4)-c1ccccc1C2=O ZINC000587102742 FI Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc(S)nc4O)nc13)-c1ccccc1C2=O ZINC000587102944 FI Annotated Anodyne C=CC(=O)NC(C)(C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102985 FI Annotated Anodyne CCOC(=O)C(F)(F)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103095 FI Annotated Anodyne Cc1c(CC(=O)C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103151 FI Annotated Anodyne COC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(F)(F)F ZINC000587103458 FI Annotated Anodyne COC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(F)(F)F ZINC000587103461 FI Annotated Anodyne COC(=O)c1nc2cccc3c2c(c1CCCl)-c1ccccc1C3=O ZINC000587103495 FI Annotated Reactive COC(=O)C(F)(F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587103751 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncccc3[N+](=O)[O-])nc3cccc1c23 ZINC000587103830 FI Annotated Bother CC(C)c1c(-c2ncnn2C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103972 FI Annotated Anodyne Cn1cnc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cnc21 ZINC000587104210 FI Annotated Anodyne CC(=O)c1cnn(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104716 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1cccnc1 ZINC000587104717 FI Annotated Anodyne Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(=O)O ZINC000587104794 FI Annotated Anodyne O=C1c2ccccc2-c2cc(Cn3nnc4ccccc43)nc3cccc1c23 ZINC000587104802 FI Annotated Anodyne C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](n2cncn2)C1 ZINC000587104807 FI Annotated Anodyne C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](n2cncn2)C1 ZINC000587104808 FI Annotated Anodyne C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](n2cncn2)C1 ZINC000587104809 FI Annotated Anodyne C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](n2cncn2)C1 ZINC000587104810 FI Annotated Anodyne COC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1C ZINC000587104847 FI Annotated Anodyne CC(C)(C)OC(=O)NCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104893 FI Annotated Anodyne Cn1nccc1[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587105063 FI Annotated Anodyne Cn1nccc1[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587105064 FI Annotated Anodyne Cn1ccnc1[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587105134 FI Annotated Anodyne Cn1ccnc1[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587105135 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Cn1cncn1)CCC3 ZINC000587105144 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Cn1cncn1)CCC3 ZINC000587105145 FI Annotated Anodyne CC(=O)c1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1C ZINC000587105146 FI Annotated Anodyne Nc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)OCO2 ZINC000587105147 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])cnc3O)nc3cccc1c23 ZINC000587105162 FI Annotated Bother O=C1c2ccccc2-c2cc(-c3ccncc3[N+](=O)[O-])nc3cccc1c23 ZINC000587105297 FI Annotated Bother O=C(O)Cc1c(-c2ccncc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105477 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccncc1 ZINC000587105490 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(O)cc(O)nc1CC3 ZINC000587105538 FI Annotated Anodyne COc1cncc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c1 ZINC000587105539 FI Annotated Anodyne C[C@@H]1CC2=C(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)NC1=O ZINC000587105595 FI Annotated Anodyne C[C@H]1CC2=C(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)NC1=O ZINC000587105596 FI Annotated Anodyne CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105642 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105643 FI Annotated Anodyne CCOC(=O)C[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105665 FI Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105666 FI Annotated Anodyne O=C(O)c1ncccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105715 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccn1 ZINC000587105740 FI Annotated Anodyne CCOC(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105774 FI Annotated Anodyne CCOC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105775 FI Annotated Anodyne O=C(O)Cc1c(-c2ccccn2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105782 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587105852 FI Annotated Anodyne CCOC(=O)Cc1nc2cccc3c2c(c1C1CC1)-c1ccccc1C3=O ZINC000587105856 FI Annotated Anodyne COC1=Cc2nc3cccc4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000587105919 FI Annotated Anodyne COC1=Cc2nc3cccc4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000587105921 FI Annotated Anodyne COC(=O)[C@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105968 FI Annotated Anodyne COC(=O)[C@@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105969 FI Annotated Anodyne Cc1noc([C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)n1 ZINC000587106006 FI Annotated Anodyne Cc1noc([C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)n1 ZINC000587106007 FI Annotated Anodyne COC(=O)[C@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106089 FI Annotated Anodyne COC(=O)[C@@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106092 FI Annotated Anodyne Cc1noc([C@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)n1 ZINC000587106214 FI Annotated Anodyne Cc1noc([C@@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)n1 ZINC000587106220 FI Annotated Anodyne CCO/C=C(\C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106264 FI Annotated Anodyne CCO/C=C(/C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106267 FI Annotated Anodyne COC(=O)CC[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106287 FI Annotated Anodyne COC(=O)CC[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106288 FI Annotated Anodyne FC1(F)Oc2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc2O1 ZINC000587106517 FI Annotated Anodyne COC(=O)[C@@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587106609 FI Annotated Anodyne COC(=O)[C@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587106611 FI Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C ZINC000587106714 FI Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C ZINC000587106715 FI Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@@H]1C ZINC000587106718 FI Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@@H]1C ZINC000587106724 FI Annotated Anodyne Cc1c(-c2c[nH]c(C(=O)O)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106743 FI Annotated Anodyne CC(C)(C)OC(=O)[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106762 FI Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106770 FI Annotated Anodyne O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000587106845 FI Annotated Anodyne COC(=O)c1noc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106905 FI Annotated Anodyne O=C(O)Cc1c(-c2ccc[nH]2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106915 FI Annotated Anodyne COC(=O)c1ccnc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587106965 FI Annotated Anodyne C/C=C\Cc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107112 FI Annotated Anodyne C/C=C/Cc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107115 FI Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107119 FI Annotated Anodyne CCOC(=O)[C@@H](CC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107120 FI Annotated Anodyne COC(=O)C[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107145 FI Annotated Anodyne COC(=O)C[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107146 FI Annotated Anodyne Fc1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1-n1cccn1 ZINC000587107172 FI Annotated Anodyne O=C(O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587107225 FI Annotated Anodyne CCOC(=O)Cc1c(C2CC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107270 FI Annotated Anodyne COc1cc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)ccn1 ZINC000587107336 FI Annotated Anodyne COC(=O)C1(c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)CCC1 ZINC000587107358 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 ZINC000587107396 FI Annotated Mild CN(C)CCOc1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107440 FI Annotated Anodyne COc1cccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587107474 FI Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)N3CCCCCC3)nc3cccc1c23 ZINC000587107531 FI Annotated Anodyne COC(=O)C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H]1C ZINC000587107552 FI Annotated Anodyne COC(=O)C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H]1C ZINC000587107553 FI Annotated Anodyne COC(=O)C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H]1C ZINC000587107555 FI Annotated Anodyne O=C1CCC2=C(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)N1 ZINC000587107629 FI Annotated Anodyne CCOC(=O)[C@H]1c2nc3cccc4c3c(c2C[C@@H]1C)-c1ccccc1C4=O ZINC000587107697 FI Annotated Anodyne CCOC(=O)[C@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O ZINC000587107698 FI Annotated Anodyne CCOC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1C)-c1ccccc1C4=O ZINC000587107699 FI Annotated Anodyne CCOC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O ZINC000587107700 FI Annotated Anodyne COC(=O)C[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H]1C ZINC000587107745 FI Annotated Anodyne COC(=O)[C@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587107780 FI Annotated Anodyne COC(=O)[C@@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587107783 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1cccnc1 ZINC000587107825 FI Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2ccnn12 ZINC000587107832 FI Annotated Anodyne COC(=O)C[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107894 FI Annotated Anodyne COC(=O)C[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107896 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 ZINC000587108034 FI Annotated Mild O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(O)nc1CC3 ZINC000587108051 FI Annotated Anodyne CCOC(=O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587108118 FI Annotated Anodyne CCOC(=O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587108120 FI Annotated Anodyne Oc1c(Br)ccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 ZINC000587108134 FI Annotated Anodyne CCOC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CCC1 ZINC000587108153 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc12 ZINC000587108218 FI Annotated Anodyne CCOC(=O)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587108250 FI Annotated Anodyne CCOC(=O)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587108251 FI Annotated Anodyne O=C(O)c1cccnc1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108288 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2cc1[N+](=O)[O-] ZINC000587108636 FI Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587108639 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 ZINC000587108667 FI Annotated Mild Cc1c(Br)cnc2[nH]c(-c3ncccc3C(F)(F)F)nc12 ZINC000587108688 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587108834 FI Annotated Bother Cc1cc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c(C)n1 ZINC000587108846 FI Annotated Bother COc1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587108859 FI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cncc(Cl)c2[nH]1 ZINC000587108864 FI Annotated Bother Cc1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2cc1[N+](=O)[O-] ZINC000587108903 FI Annotated Bother COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1OC ZINC000587108932 FI Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587108958 FI Annotated Anodyne CC(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587109015 FI Annotated Bother COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1C ZINC000587109030 FI Annotated Bother FC(F)(F)c1cccnc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587109039 FI Annotated Anodyne Nc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1N ZINC000587109256 FI Annotated Anodyne COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1F ZINC000587109342 FI Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587109368 FI Annotated Mild O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587109369 FI Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 ZINC000587109379 FI Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)ccnc2[nH]1 ZINC000587109439 FI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587109447 FI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)ncc2[nH]1 ZINC000587109450 FI Annotated Bother Cc1cnc(Cl)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 ZINC000587109476 FI Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 ZINC000587109483 FI Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587109647 FI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2cc1OC ZINC000587109705 FI Annotated Anodyne COc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587109716 FI Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587109791 FI Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587109803 FI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587109874 FI Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587109919 FI Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587109974 FI Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)cnc2[nH]1 ZINC000587110093 FI Annotated Bother Oc1nccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110104 FI Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccnc(Cl)c2[nH]1 ZINC000587110180 FI Annotated Bother Nc1ccnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 ZINC000587110193 FI Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587110299 FI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Cl)nc2[nH]1 ZINC000587110324 FI Annotated Bother FC(F)(F)c1cc(CCc2nc3cncnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110577 FI Annotated Anodyne N=c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c[nH]1 ZINC000587110805 FI Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cnncc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110943 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 ZINC000587111254 FI Annotated Bother Cc1nc2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2cc1Br ZINC000587111309 FI Annotated Anodyne Cn1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587111334 FI Annotated Anodyne OCCc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 ZINC000587111337 FI Annotated Anodyne Nc1ncnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 ZINC000587111382 FI Annotated Anodyne O=C(O)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587111390 FI Annotated Anodyne Cn1cc(-c2nc3ccc(Br)c(O)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111733 FI Annotated Anodyne Cn1cc(-c2nc3cc(Br)cc(F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111801 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587111829 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587111830 FI Annotated Anodyne N=c1[nH]ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587111926 FI Annotated Anodyne Cn1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C(F)(F)F)c1 ZINC000587111935 FI Annotated Anodyne FC(F)(F)c1cc(CCc2nc3ncc[nH]c-3n2)cc(C(F)(F)F)c1 ZINC000587112004 FI Annotated Anodyne Nc1ccnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 ZINC000587112015 FI Annotated Anodyne Cn1cc(-c2nc3ccc(Br)c(F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587112026 FI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587112249 FI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587112267 FI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587112271 FI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587112352 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112477 FI Annotated Mild N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587112931 FI Annotated Anodyne Cn1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113000 FI Annotated Mild Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc12 ZINC000587113085 FI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2[nH]1 ZINC000587113216 FI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2[nH]1 ZINC000587113220 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cn(C)cc3C(F)(F)F)nc12 ZINC000587113227 FI Annotated Anodyne Cn1cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587113260 FI Annotated Mild C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587113501 FI Annotated Bother C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587113502 FI Annotated Bother N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587113517 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587113603 FI Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 ZINC000587113643 FI Annotated Anodyne Cn1cc(-c2nc3ccc(F)c(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113711 FI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C)c2[nH]1 ZINC000587113724 FI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C)c2[nH]1 ZINC000587113725 FI Annotated Anodyne Cn1cc(-c2nc3cc(F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113748 FI Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] ZINC000587113948 FI Annotated Bother C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587113998 FI Annotated Bother C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587114000 FI Annotated Bother N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587114049 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587114139 FI Annotated Bother CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C)cc2[nH]1 ZINC000587114160 FI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C)cc2[nH]1 ZINC000587114161 FI Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(F)c2[nH]1 ZINC000587114240 FI Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(F)c2[nH]1 ZINC000587114242 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1OC ZINC000587114277 FI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587114285 FI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587114378 FI Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587114696 FI Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587114697 FI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587114945 FI Annotated Anodyne Cn1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587114975 FI Annotated Anodyne Cc1nc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1Br ZINC000587115164 FI Annotated Anodyne Oc1c(Br)ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 ZINC000587115199 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3c2)cc1N ZINC000587115367 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 ZINC000587115641 FI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 ZINC000587115654 FI Annotated Anodyne Cc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 ZINC000587115751 FI Annotated Anodyne COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1F ZINC000587115771 FI Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587115796 FI Annotated Anodyne COc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587115803 FI Annotated Anodyne COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Cl ZINC000587115811 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587115847 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587115874 FI Annotated Anodyne Oc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587115928 FI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115938 FI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587115951 FI Annotated Anodyne N#Cc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115953 FI Annotated Mild Oc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115956 FI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587115966 FI Annotated Anodyne CC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587115978 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587115986 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587116029 FI Annotated Mild N#Cc1nc(Cl)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116052 FI Annotated Mild O=[N+]([O-])c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116069 FI Annotated Bother N#Cc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587116078 FI Annotated Mild Fc1cnc(Cl)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587116093 FI Annotated Anodyne Fc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1F ZINC000587116102 FI Annotated Anodyne Fc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1F ZINC000587116165 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587116191 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c(C)n1 ZINC000587116206 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587116239 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587116311 FI Annotated Anodyne Oc1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116314 FI Annotated Anodyne COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1OC ZINC000587116445 FI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587116448 FI Annotated Bother Cc1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587116453 FI Annotated Bother Cc1cncc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587116493 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587116506 FI Annotated Anodyne Cc1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587116531 FI Annotated Bother Cc1ccnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116606 FI Annotated Anodyne Oc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116616 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587116626 FI Annotated Anodyne COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1C ZINC000587116757 FI Annotated Anodyne Cc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Cl ZINC000587116853 FI Annotated Bother Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 ZINC000587116897 FI Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1C ZINC000587116922 FI Annotated Anodyne Cc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 ZINC000587116946 FI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c32)n1 ZINC000587116971 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587116975 FI Annotated Anodyne Cc1nccc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116995 FI Annotated Anodyne Cc1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587117003 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587117007 FI Annotated Anodyne CC(C)Oc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587117010 FI Annotated Anodyne Fc1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587117014 FI Annotated Anodyne Fc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587117227 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587117248 FI Annotated Anodyne Fc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1Cl ZINC000587117352 FI Annotated Anodyne Fc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c(F)c1F ZINC000587117354 FI Annotated Anodyne CC(C)Oc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587117379 FI Annotated Anodyne Cc1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587117386 FI Annotated Anodyne CSc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587117411 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587117473 FI Annotated Mild Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587117561 FI Annotated Anodyne Cc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587117581 FI Annotated Anodyne Cc1cc(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587117607 FI Annotated Anodyne COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Cl ZINC000587117687 FI Annotated Anodyne Cc1cncc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117711 FI Annotated Anodyne Fc1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1C(F)(F)F ZINC000587117754 FI Annotated Mild Cc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587117822 FI Annotated Bother CC(C)(C)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 ZINC000587117847 FI Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cnc4ccccc4c3[nH]2)n1 ZINC000587117883 FI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587117908 FI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 ZINC000587117935 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587117938 FI Annotated Mild Cc1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587118019 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587118092 FI Annotated Bother C=CCc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118165 FI Annotated Mild Cn1nc(C(F)(F)F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587118182 FI Annotated Bother Cc1cc(Br)cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 ZINC000587118188 FI Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)cccc4[nH]3)no2)n1 ZINC000587118200 FI Annotated Anodyne CCc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118305 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587118337 FI Annotated Clean Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1C ZINC000587118371 FI Annotated Anodyne Cc1c(Br)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118484 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587118518 FI Annotated Mild Cc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1C ZINC000587118531 FI Annotated Anodyne Cc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118535 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118858 FI Annotated Anodyne Cc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587118912 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119189 FI Annotated Mild FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Cl)ccc4[nH]3)no2)n1 ZINC000587119443 FI Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587119507 FI Annotated Mild Cc1cc(C)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587119513 FI Annotated Anodyne COc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1C ZINC000587119593 FI Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc4ncccc4c3[nH]2)n1 ZINC000587119723 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 ZINC000587119744 FI Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cccc(Cl)c3[nH]2)c2c1CCCC2 ZINC000587119794 FI Annotated Anodyne C=CCc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119817 FI Annotated Mild FC(F)(F)c1nn(Cc2nc3ccc4ncccc4c3[nH]2)c2c1CCCC2 ZINC000587119841 FI Annotated Anodyne Cc1cc(F)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587119882 FI Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cnc4ccccc4c3[nH]2)c2c1CCCC2 ZINC000587119886 FI Annotated Anodyne Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1F ZINC000587119973 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 ZINC000587119993 FI Annotated Anodyne CSc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587120099 FI Annotated Anodyne Fc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c(F)c1F ZINC000587120157 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2cc1[N+](=O)[O-] ZINC000587120201 FI Annotated Bother FC(F)(F)c1nn(Cc2nc3ccc(Cl)cc3[nH]2)c2c1CCCC2 ZINC000587120293 FI Annotated Anodyne Fc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1Cl ZINC000587120345 FI Annotated Anodyne Fc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120351 FI Annotated Anodyne Cc1c(F)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120360 FI Annotated Anodyne Fc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1F ZINC000587120375 FI Annotated Mild COc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1F ZINC000587120387 FI Annotated Mild FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587120390 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 ZINC000587120391 FI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120421 FI Annotated Mild COc1cc(OC)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 ZINC000587120460 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120472 FI Annotated Mild Fc1cnc(Cl)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 ZINC000587120498 FI Annotated Anodyne COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1OC ZINC000587120501 FI Annotated Anodyne O=C1CCc2cc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3cc2N1 ZINC000587120515 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 ZINC000587120518 FI Annotated Mild FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587120529 FI Annotated Anodyne Fc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c(F)c1F ZINC000587120538 FI Annotated Mild Cc1c(F)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120545 FI Annotated Mild Cc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1F ZINC000587120550 FI Annotated Mild FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587120556 FI Annotated Anodyne Fc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1F ZINC000587120560 FI Annotated Mild FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587120658 FI Annotated Anodyne COc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1C ZINC000587120697 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120777 FI Annotated Mild CC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587120821 FI Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cncc(Cl)c2[nH]1 ZINC000587120868 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 ZINC000587120912 FI Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587120931 FI Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587121417 FI Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccnc(O)c2[nH]1 ZINC000587121669 FI Annotated Anodyne COc1nccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587121764 FI Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587121897 FI Annotated Anodyne Cc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br ZINC000587121968 FI Annotated Anodyne COc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cn1 ZINC000587122093 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 ZINC000587122179 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 ZINC000587122182 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 ZINC000587122186 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)cc4[nH]3)cc2N1 ZINC000587122188 FI Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587122305 FI Annotated Anodyne COc1nccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c12 ZINC000587122558 FI Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587122577 FI Annotated Anodyne CC(C)COc1cc2nc(COC(F)(F)F)[nH]c2cc1Br ZINC000587122578 FI Annotated Anodyne C=CCc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587122647 FI Annotated Mild C=CCc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587122648 FI Annotated Mild C=CCc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587122649 FI Annotated Mild C=CCc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587122652 FI Annotated Mild Fc1c(Br)ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587122689 FI Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587122758 FI Annotated Anodyne Fc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1Br ZINC000587122795 FI Annotated Anodyne COc1cncc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587122890 FI Annotated Anodyne COc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2n1 ZINC000587123081 FI Annotated Anodyne CCCOc1cc2nc(COC(F)(F)F)[nH]c2cc1Br ZINC000587123111 FI Annotated Anodyne Fc1cc(Br)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587123397 FI Annotated Anodyne Cc1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587123435 FI Annotated Anodyne CCCCCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587123442 FI Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587123443 FI Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587123445 FI Annotated Anodyne CCCCCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587123449 FI Annotated Anodyne CSc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587123584 FI Annotated Anodyne CSc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587123600 FI Annotated Anodyne Fc1cnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587123601 FI Annotated Anodyne CSc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587123605 FI Annotated Anodyne CSc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587123606 FI Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587123977 FI Annotated Anodyne FC(F)(F)OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587124042 FI Annotated Anodyne COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C ZINC000587124116 FI Annotated Anodyne COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C ZINC000587124118 FI Annotated Anodyne COc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C ZINC000587124120 FI Annotated Anodyne COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C ZINC000587124122 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587124123 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587124125 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587124127 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587124129 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 ZINC000587124149 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 ZINC000587124151 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 ZINC000587124153 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(F)c4[nH]3)cc2N1 ZINC000587124157 FI Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)n1 ZINC000587124313 FI Annotated Anodyne Nc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1N ZINC000587124321 FI Annotated Anodyne OCc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587124355 FI Annotated Anodyne FC(F)COc1cccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n1 ZINC000587124390 FI Annotated Anodyne NC(=O)c1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587124651 FI Annotated Anodyne NC(=O)c1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587124653 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 ZINC000587124770 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 ZINC000587124772 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 ZINC000587124797 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 ZINC000587124801 FI Annotated Anodyne CC(C)Oc1cc2nc(COC(F)(F)F)[nH]c2cc1Br ZINC000587124822 FI Annotated Anodyne OC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587124830 FI Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(Br)ccc3[nH]2)n1 ZINC000587124876 FI Annotated Anodyne Fc1cc(C(F)(F)F)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587124952 FI Annotated Anodyne COc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cn1 ZINC000587125011 FI Annotated Anodyne FC(F)(F)OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587125353 FI Annotated Anodyne OC1(c2nc3cccc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125532 FI Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Br)cccc3[nH]2)n1 ZINC000587125585 FI Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587125680 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 ZINC000587125727 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 ZINC000587125728 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 ZINC000587125729 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 ZINC000587125730 FI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1F ZINC000587125743 FI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1F ZINC000587125744 FI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1F ZINC000587125745 FI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1F ZINC000587125746 FI Annotated Anodyne FC(F)(F)OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587125780 FI Annotated Anodyne FC(F)(F)OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587125785 FI Annotated Anodyne NC(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587125899 FI Annotated Anodyne NC(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587125901 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 ZINC000587125996 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 ZINC000587125997 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 ZINC000587125998 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(Cl)c4[nH]3)cc2N1 ZINC000587125999 FI Annotated Anodyne Fc1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587126089 FI Annotated Anodyne FC(F)(F)OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587126124 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 ZINC000587126144 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 ZINC000587126145 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 ZINC000587126146 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(F)c4[nH]3)cc2N1 ZINC000587126147 FI Annotated Anodyne Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1Br ZINC000587126237 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587126238 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587126239 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587126240 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587126241 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587126276 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587126281 FI Annotated Anodyne Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1C(F)(F)F ZINC000587126282 FI Annotated Anodyne N=c1[nH]c2nc(/C=C\c3ccc(SC(F)(F)F)cc3)nc-2c(Cl)[nH]1 ZINC000587126305 FI Annotated Anodyne N=c1[nH]c2nc(/C=C/c3ccc(SC(F)(F)F)cc3)nc-2c(Cl)[nH]1 ZINC000587126306 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587126454 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587126455 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587126457 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587126460 FI Annotated Anodyne FC(F)(F)OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587126497 FI Annotated Anodyne Fc1cc(F)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 ZINC000587126519 FI Annotated Anodyne Fc1cnc(Cl)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 ZINC000587126536 FI Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)cncc4[nH]3)n[nH]c2c1 ZINC000587126596 FI Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4ncc(Cl)cc4[nH]3)n[nH]c2c1 ZINC000587126736 FI Annotated Anodyne N#Cc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1C(F)(F)F ZINC000587126778 FI Annotated Mild OC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126861 FI Annotated Anodyne COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1F ZINC000587126934 FI Annotated Anodyne Fc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c(F)c1F ZINC000587126951 FI Annotated Anodyne OC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126967 FI Annotated Anodyne Cc1cc(F)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 ZINC000587127010 FI Annotated Anodyne Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1F ZINC000587127014 FI Annotated Anodyne Cc1c(F)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127023 FI Annotated Anodyne Cc1cnc(Cl)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 ZINC000587127030 FI Annotated Anodyne OC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127043 FI Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587127061 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587127066 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587127068 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587127070 FI Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cnc(Cl)cc4[nH]3)n[nH]c2c1 ZINC000587127076 FI Annotated Anodyne Fc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1F ZINC000587127108 FI Annotated Anodyne Cc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1F ZINC000587127147 FI Annotated Anodyne OC1(c2nc3ccc(Br)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127148 FI Annotated Anodyne OC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127159 FI Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4nccc(Cl)c4[nH]3)n[nH]c2c1 ZINC000587127201 FI Annotated Anodyne OC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127251 FI Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 ZINC000587127303 FI Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 ZINC000587127304 FI Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 ZINC000587127305 FI Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Cl)cc4[nH]3)cc2N1 ZINC000587127306 FI Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4nc(Cl)ccc4[nH]3)n[nH]c2c1 ZINC000587127375 FI Annotated Anodyne COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1C ZINC000587127406 FI Annotated Anodyne OC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127459 FI Annotated Anodyne OC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127480 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Cl ZINC000587127519 FI Annotated Bother FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)nccc4[nH]3)n[nH]c2c1 ZINC000587127610 FI Annotated Anodyne Cn1nnc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1C(F)F ZINC000587128217 FI Annotated Anodyne C[C@@H](c1nc2cc(F)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128581 FI Annotated Anodyne C[C@H](c1nc2cc(F)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128583 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OC(F)F ZINC000587129199 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OC(F)F ZINC000587129216 FI Annotated Anodyne Nc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1N ZINC000587129275 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)ccc1OC(F)F ZINC000587129667 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)ccc1OC(F)F ZINC000587129670 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccnc(OC)c3[nH]2)ccc1OC(F)F ZINC000587129720 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccnc(OC)c3[nH]2)ccc1OC(F)F ZINC000587129721 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3cncc(OC)c3[nH]2)ccc1OC(F)F ZINC000587130002 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3cncc(OC)c3[nH]2)ccc1OC(F)F ZINC000587130003 FI Annotated Anodyne FC(F)Oc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000587130048 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC(F)(F)C1 ZINC000587130191 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)ccc1OC(F)F ZINC000587130292 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)ccc1OC(F)F ZINC000587130294 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587130381 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(C(=O)O)c3[nH]2)ccc1OC(F)F ZINC000587130610 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)ccc1OC(F)F ZINC000587130612 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(OC)nc3[nH]2)ccc1OC(F)F ZINC000587130619 FI Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 ZINC000587130620 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(OC)nc3[nH]2)ccc1OC(F)F ZINC000587130621 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC(F)(F)C1 ZINC000587130656 FI Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c12 ZINC000587130673 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)ccc1OC(F)F ZINC000587130683 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)ccc1OC(F)F ZINC000587130687 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC)ncc3[nH]2)ccc1OC(F)F ZINC000587130692 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC)ncc3[nH]2)ccc1OC(F)F ZINC000587130694 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3cccc(C(F)(F)F)c3[nH]2)CC(F)(F)C1 ZINC000587130951 FI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)ccc1OC(F)F ZINC000587131025 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)ccc1OC(F)F ZINC000587131029 FI Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 ZINC000587131133 FI Annotated Mild CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)ccc1OC(F)F ZINC000587131184 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)ccc1OC(F)F ZINC000587131185 FI Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131248 FI Annotated Anodyne Cc1ccc2c(ccc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c32)n1 ZINC000587131260 FI Annotated Anodyne CN(C)CCOc1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131263 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3cccc(C(C)(C)C)c3[nH]2)CC(F)(F)C1 ZINC000587131266 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC(F)(F)C1 ZINC000587131286 FI Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(C(C)(C)C)cc3[nH]2)CC(F)(F)C1 ZINC000587131300 FI Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)C2)c1 ZINC000587131313 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1[N+](=O)[O-] ZINC000587131324 FI Annotated Bother CCOc1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)ccc1OC(F)F ZINC000587131363 FI Annotated Anodyne CCOc1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)ccc1OC(F)F ZINC000587131364 FI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(F)CCCCC3)nc2c1 ZINC000587131596 FI Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587131735 FI Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587131739 FI Annotated Anodyne O=C1CCc2cc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3cc2N1 ZINC000587131768 FI Annotated Anodyne COC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1OC ZINC000587131802 FI Annotated Anodyne COC(=O)c1cc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2cc1OC ZINC000587131916 FI Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132047 FI Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132048 FI Annotated Anodyne CSc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132095 FI Annotated Anodyne CSc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132096 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cnc4ccccc4c3[nH]2)C(F)(F)C1 ZINC000587132108 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cnc4ccccc4c3[nH]2)C(F)(F)C1 ZINC000587132109 FI Annotated Anodyne Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1C ZINC000587132137 FI Annotated Anodyne Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1C ZINC000587132138 FI Annotated Anodyne CCc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132152 FI Annotated Anodyne CCc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132153 FI Annotated Anodyne C=CCc1cccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132282 FI Annotated Mild C=CCc1cccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132283 FI Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc4ncccc4c3[nH]2)C(F)(F)C1 ZINC000587132284 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc4ncccc4c3[nH]2)C(F)(F)C1 ZINC000587132285 FI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587132343 FI Annotated Anodyne Cc1c(F)cc(-c2nc3cccc(I)c3[nH]2)cc1F ZINC000587132374 FI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587132378 FI Annotated Mild COc1c(F)ccc(F)c1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587132386 FI Annotated Mild COC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 ZINC000587132469 FI Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1N ZINC000587132511 FI Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Cl)cc3[nH]2)C(F)(F)C1 ZINC000587132535 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Cl)cc3[nH]2)C(F)(F)C1 ZINC000587132536 FI Annotated Anodyne COc1cc(OC)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1 ZINC000587132553 FI Annotated Anodyne Cc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1C ZINC000587132559 FI Annotated Anodyne Cc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1C ZINC000587132560 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587132580 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587132581 FI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587132628 FI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587132719 FI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587132720 FI Annotated Anodyne O=C(c1nc2c([N+](=O)[O-])cccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132773 FI Annotated Bother O=C(O)c1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1F ZINC000587132780 FI Annotated Anodyne COc1c(F)ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1N ZINC000587132931 FI Annotated Bother Cc1c(F)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F ZINC000587132963 FI Annotated Bother Cc1cc(Cl)cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587133156 FI Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587133157 FI Annotated Anodyne O=C(c1nc2c(C(=O)O)cc(F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133203 FI Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587133204 FI Annotated Mild Cc1c(F)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F ZINC000587133293 FI Annotated Bother COc1c(F)ccc(F)c1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587133359 FI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587133365 FI Annotated Anodyne O=C(c1nc2cc3c(cc2[nH]1)OCCO3)c1c(Cl)ccc(F)c1Cl ZINC000587133388 FI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1N ZINC000587133441 FI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587133489 FI Annotated Anodyne Cc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587133507 FI Annotated Bother O=C(c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133519 FI Annotated Bother COc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1OC ZINC000587133605 FI Annotated Anodyne COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1F ZINC000587133623 FI Annotated Anodyne O=C(c1nc2c(Cl)ncc(F)c2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133658 FI Annotated Anodyne COc1c(F)ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1N ZINC000587133686 FI Annotated Bother O=C(O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133752 FI Annotated Anodyne O=C(O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133753 FI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587133825 FI Annotated Anodyne Fc1c(F)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c(F)c1S ZINC000587133929 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133933 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133934 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133935 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133936 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133963 FI Annotated Mild N#Cc1nc(Cl)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133964 FI Annotated Mild O=[N+]([O-])c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F ZINC000587133969 FI Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F ZINC000587133970 FI Annotated Bother O=C(O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133978 FI Annotated Anodyne O=C(O)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133979 FI Annotated Anodyne COC(=O)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133988 FI Annotated Anodyne COC(=O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133989 FI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587134017 FI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(C)c(Br)cc3[nH]2)c1N ZINC000587134102 FI Annotated Anodyne Fc1c(F)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c(F)c1S ZINC000587134106 FI Annotated Mild Fc1c(F)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c(F)c(F)c1S ZINC000587134126 FI Annotated Anodyne Oc1nc2cc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc2[nH]1 ZINC000587134142 FI Annotated Anodyne Oc1nc2cc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc2[nH]1 ZINC000587134143 FI Annotated Anodyne COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1OC ZINC000587134148 FI Annotated Anodyne O=C(O)c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F ZINC000587134154 FI Annotated Anodyne O=C(O)c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F ZINC000587134158 FI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)c(F)c1F ZINC000587134201 FI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)c(F)c1F ZINC000587134202 FI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(C)cc(Br)c3[nH]2)c1N ZINC000587134227 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134232 FI Annotated Bother O=[N+]([O-])c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134241 FI Annotated Bother COc1c(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1F ZINC000587134254 FI Annotated Anodyne Nc1c(F)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F ZINC000587134262 FI Annotated Mild COc1c(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587134272 FI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)c(F)c1F ZINC000587134446 FI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)c(F)c1F ZINC000587134448 FI Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1C ZINC000587134489 FI Annotated Anodyne COc1c(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1F ZINC000587134498 FI Annotated Anodyne COc1c(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587134538 FI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1N ZINC000587134586 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F ZINC000587134598 FI Annotated Bother Oc1c(F)cc(F)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587134624 FI Annotated Mild COc1cc(OC)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587134781 FI Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587134786 FI Annotated Anodyne COc1c(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F ZINC000587134841 FI Annotated Anodyne N#Cc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1C#N ZINC000587134867 FI Annotated Mild N#Cc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1C#N ZINC000587134868 FI Annotated Mild Oc1c(F)cc(F)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587134981 FI Annotated Anodyne COc1c(F)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1F ZINC000587135011 FI Annotated Mild O=C(O)c1cc(F)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135139 FI Annotated Anodyne O=C(O)c1cc(F)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135140 FI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)c(F)c1F ZINC000587135141 FI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)c(F)c1F ZINC000587135142 FI Annotated Anodyne Nc1c(F)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F ZINC000587135215 FI Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c1N ZINC000587135263 FI Annotated Anodyne COc1c(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587135267 FI Annotated Anodyne Fc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c(F)c1F ZINC000587135268 FI Annotated Mild O=[N+]([O-])c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135281 FI Annotated Bother O=[N+]([O-])c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135283 FI Annotated Bother COc1cc(OC)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1 ZINC000587135310 FI Annotated Anodyne COc1c(F)cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1F ZINC000587135315 FI Annotated Mild COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1OC ZINC000587135327 FI Annotated Anodyne COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1OC ZINC000587135328 FI Annotated Anodyne Cc1cc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2cc1[N+](=O)[O-] ZINC000587135336 FI Annotated Bother COc1c(F)ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1N ZINC000587135361 FI Annotated Anodyne Fc1c(F)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c(F)c1S ZINC000587135408 FI Annotated Mild COC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135416 FI Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135417 FI Annotated Anodyne CNc1c(F)cccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587135540 FI Annotated Clean CC(C)(C)Oc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(N)cc1F ZINC000587135707 FI Annotated Bother Cc1cc2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2cc1[N+](=O)[O-] ZINC000587135728 FI Annotated Bother CNc1c(F)cccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587135749 FI Annotated Bother O=[N+]([O-])c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587135841 FI Annotated Bother Fc1cc(F)c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Br ZINC000587135842 FI Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587135868 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1[N+](=O)[O-] ZINC000587135914 FI Annotated Bother COc1cc(OC)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 ZINC000587135932 FI Annotated Anodyne CNc1c(F)cccc1-c1nc2cccc(I)c2[nH]1 ZINC000587135983 FI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(N)cc1F ZINC000587135992 FI Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc4ncccc4c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136050 FI Annotated Bother Nc1c(F)c(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1F ZINC000587136073 FI Annotated Anodyne C=CCc1cccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12 ZINC000587136125 FI Annotated Mild COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1OC ZINC000587136147 FI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(N)cc1F ZINC000587136282 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2c1 ZINC000587136326 FI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(N)cc1F ZINC000587136346 FI Annotated Mild CC(C)(C)Oc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(N)cc1F ZINC000587136382 FI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 ZINC000587136402 FI Annotated Bother Nc1cc(F)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1N ZINC000587136408 FI Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587136450 FI Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(=N)[nH]cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136469 FI Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587136489 FI Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3ccnc(O)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136495 FI Annotated Bother Cc1cc(N(C)Cc2nc3cc(Cl)cc(F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136528 FI Annotated Bother N#Cc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1C#N ZINC000587136616 FI Annotated Mild COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1OC ZINC000587136645 FI Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc4c(c3[nH]2)CCCC4)c([N+](=O)[O-])cc1F ZINC000587136680 FI Annotated Bother Cc1cc(N(C)Cc2nc3cc(Cl)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136694 FI Annotated Bother Cc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br ZINC000587136733 FI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1F ZINC000587136739 FI Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc[nH]c(=N)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136765 FI Annotated Bother Nc1c(F)c(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1F ZINC000587136801 FI Annotated Bother Nc1c(F)c(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1F ZINC000587136810 FI Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 ZINC000587136819 FI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1F ZINC000587136824 FI Annotated Anodyne Fc1cc(F)c(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1Br ZINC000587136889 FI Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3c(N)ccnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587137042 FI Annotated Bother Nc1c(F)c(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1F ZINC000587137054 FI Annotated Anodyne N#Cc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1C(F)(F)F ZINC000587137083 FI Annotated Mild Fc1cc(Br)c(Cl)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587137101 FI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1F ZINC000587137106 FI Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(OC(C)C)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137132 FI Annotated Bother Cc1cc(N(C)Cc2nc3cnc4ccccc4c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137133 FI Annotated Bother CSc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587137211 FI Annotated Bother Cc1cc(Br)c2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2c1 ZINC000587137233 FI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 ZINC000587137272 FI Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137336 FI Annotated Bother Cc1cc(N(C)Cc2nc3cc(C#N)cc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137371 FI Annotated Mild N#Cc1nc(Cl)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587137547 FI Annotated Mild Cc1cc(Br)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F ZINC000587137564 FI Annotated Bother Cc1cc(Br)c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1F ZINC000587137623 FI Annotated Mild COc1cncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137672 FI Annotated Anodyne COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1F ZINC000587137696 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 ZINC000587137706 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137709 FI Annotated Bother COc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2n1 ZINC000587137712 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1F ZINC000587137726 FI Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 ZINC000587137755 FI Annotated Bother Cc1cc(Br)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1F ZINC000587137774 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(F)c(C)cc3Br)nc2c1 ZINC000587137788 FI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587137824 FI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F ZINC000587137840 FI Annotated Bother Cc1cc(Br)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1F ZINC000587137842 FI Annotated Anodyne O=C(O)c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1F ZINC000587137856 FI Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1F ZINC000587137861 FI Annotated Bother Cc1cc(Br)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1F ZINC000587137938 FI Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1F ZINC000587137939 FI Annotated Anodyne Fc1cc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1-n1cccn1 ZINC000587138027 FI Annotated Anodyne Fc1cc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(F)c1F ZINC000587138050 FI Annotated Anodyne OCCc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 ZINC000587138103 FI Annotated Anodyne COc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cn1 ZINC000587138105 FI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1F ZINC000587138111 FI Annotated Anodyne COc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1OC ZINC000587138131 FI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1F ZINC000587138163 FI Annotated Mild OCc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 ZINC000587138168 FI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1F ZINC000587138173 FI Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccnc4[nH]3)c(F)c2)c1 ZINC000587138561 FI Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cccnc4[nH]3)ccc2F)cc1F ZINC000587138688 FI Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(F)cnc4[nH]3)ccc2F)cc1F ZINC000587138756 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 ZINC000587138895 FI Annotated Mild O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccnc(Br)c3[nH]2)c1F ZINC000587138974 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1F ZINC000587138989 FI Annotated Bother Oc1c(Br)ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 ZINC000587139038 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Cl ZINC000587139056 FI Annotated Bother O=[N+]([O-])c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Cl ZINC000587139084 FI Annotated Bother Fc1cc(CCc2nc3c(F)cnc(Br)c3[nH]2)cc(F)c1F ZINC000587139099 FI Annotated Anodyne Cc1nc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1Br ZINC000587139308 FI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)ncc3[nH]2)c1F ZINC000587139399 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1F ZINC000587139419 FI Annotated Bother Cc1cc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2cc1[N+](=O)[O-] ZINC000587139422 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cnc3[nH]2)c1F ZINC000587139632 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)ccnc3[nH]2)c1F ZINC000587139633 FI Annotated Bother Cc1c(Br)cnc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 ZINC000587139838 FI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1F ZINC000587139841 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cncc(Br)c3[nH]2)c1F ZINC000587139854 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1F ZINC000587139858 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F ZINC000587139883 FI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)nc3[nH]2)c1F ZINC000587139908 FI Annotated Bother OCc1ccc(F)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587140204 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 ZINC000587140328 FI Annotated Anodyne Fc1ccc(S)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587140368 FI Annotated Anodyne Fc1ccc(S)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587140658 FI Annotated Anodyne OCc1ccc(F)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587140840 FI Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587140881 FI Annotated Anodyne Oc1nncc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587140937 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(S)ccc3F)[nH]c12 ZINC000587141022 FI Annotated Bother Nc1ccc(F)c(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587141107 FI Annotated Anodyne Nc1ncnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 ZINC000587141168 FI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(S)ccc3F)[nH]c12 ZINC000587141328 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S)ccc3F)[nH]c12 ZINC000587141333 FI Annotated Bother Oc1ncnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 ZINC000587141459 FI Annotated Anodyne Fc1ccc(S)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587141561 FI Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587141607 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccc(Br)cc3F)nc2cc1[N+](=O)[O-] ZINC000587142498 FI Annotated Bother Fc1cc(Br)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587142525 FI Annotated Anodyne O=C1CCc2cc3nc(-c4ccc(Br)cc4F)[nH]c3cc2N1 ZINC000587142526 FI Annotated Anodyne N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142566 FI Annotated Anodyne N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142567 FI Annotated Anodyne N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142644 FI Annotated Anodyne N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142645 FI Annotated Anodyne Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1F ZINC000587142650 FI Annotated Anodyne Cc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1F ZINC000587142651 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1F ZINC000587142724 FI Annotated Bother COc1ccc(Cl)c(-c2ccc(-c3nc4cncnc4[nH]3)cc2F)c1 ZINC000587142730 FI Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4c(O)ncnc4[nH]3)cc2F)c1 ZINC000587142816 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(S)ccc3F)[nH]c21 ZINC000587142867 FI Annotated Clean Cc1cc(F)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142894 FI Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587142895 FI Annotated Anodyne Cc1c(F)ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587143161 FI Annotated Anodyne Cc1c(F)ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587143162 FI Annotated Anodyne N#Cc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F ZINC000587143281 FI Annotated Mild N#Cc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F ZINC000587143471 FI Annotated Mild COc1ccc(Cl)c(-c2ccc(-c3nc4cnnc(O)c4[nH]3)cc2F)c1 ZINC000587143478 FI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587143492 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(F)c(F)c3)[nH]c12 ZINC000587143518 FI Annotated Bother N#Cc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F ZINC000587143616 FI Annotated Mild Cc1ccc(C)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 ZINC000587143629 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 ZINC000587143630 FI Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C)nc3[nH]2)cc1F ZINC000587143644 FI Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cnncc4[nH]3)cc2F)c1 ZINC000587143738 FI Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4c(N)ncnc4[nH]3)cc2F)c1 ZINC000587143775 FI Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ncc[nH]c-4n3)cc2F)c1 ZINC000587143832 FI Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cccc(O)c3[nH]2)cc1F ZINC000587143943 FI Annotated Anodyne Cc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1C ZINC000587143971 FI Annotated Anodyne Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1C ZINC000587143973 FI Annotated Anodyne N#Cc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F ZINC000587144188 FI Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(F)c(F)c3)[nH]c12 ZINC000587144414 FI Annotated Bother COc1ccc(C(=O)c2ccccc2-c2nc3cc(F)cnc3[nH]2)cc1F ZINC000587144506 FI Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cccc(C#N)c3[nH]2)cc1F ZINC000587144588 FI Annotated Mild COc1ccc(C(=O)c2ccccc2-c2nc3c(C)nccc3[nH]2)cc1F ZINC000587144649 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 ZINC000587144738 FI Annotated Bother Fc1cc(Cc2nc3c(S)nc(S)nc3[nH]2)ccc1-c1ccccc1 ZINC000587144868 FI Annotated Anodyne CCc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144891 FI Annotated Anodyne CCc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144893 FI Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccnc(O)c3[nH]2)c(F)c1 ZINC000587145060 FI Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C)cnc3[nH]2)cc1F ZINC000587145255 FI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C)cc3F)nc2c1 ZINC000587145289 FI Annotated Anodyne Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1C ZINC000587145316 FI Annotated Anodyne Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1C ZINC000587145317 FI Annotated Anodyne Fc1ccc(-c2nc3cccc(I)c3[nH]2)cc1F ZINC000587145320 FI Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587145343 FI Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587145345 FI Annotated Anodyne C=CCc1cccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587145492 FI Annotated Mild C=CCc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587145496 FI Annotated Mild COc1ccc(C(=O)c2ccccc2-c2nc3cncc(C)c3[nH]2)cc1F ZINC000587145521 FI Annotated Anodyne Cc1cc(-c2nc3c(O)nccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145531 FI Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(N)ccnc3[nH]2)c(F)c1 ZINC000587145557 FI Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1 ZINC000587145628 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc12 ZINC000587145729 FI Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cn1 ZINC000587145739 FI Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1 ZINC000587145944 FI Annotated Bother Cc1ccc(-c2ccc(-c3nc4cnnc(O)c4[nH]3)c(Cl)c2)cc1F ZINC000587146061 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 ZINC000587146113 FI Annotated Bother Cc1ccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587146370 FI Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587146371 FI Annotated Anodyne Cc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1 ZINC000587146373 FI Annotated Bother Cc1ccc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587146394 FI Annotated Anodyne Cc1ccc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587146395 FI Annotated Anodyne Cc1ccc(-c2nc3ccc(I)cc3[nH]2)c(F)c1 ZINC000587146405 FI Annotated Anodyne Cc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(F)c1 ZINC000587146502 FI Annotated Clean Cc1ccc(-c2nc3cccc(I)c3[nH]2)c(F)c1 ZINC000587146698 FI Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(N)ncnc4[nH]3)c(Cl)c2)cc1F ZINC000587146959 FI Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c(Cl)c2)cc1F ZINC000587147106 FI Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)c(Cl)c2)cc1F ZINC000587147301 FI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(F)c(F)cc2[nH]1 ZINC000587147314 FI Annotated Anodyne Cc1cnc(Cl)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 ZINC000587147456 FI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)cc(C#N)cc2[nH]1 ZINC000587147470 FI Annotated Mild Cc1ccc(-c2ccc(-c3nc4c(O)ncnc4[nH]3)c(Cl)c2)cc1F ZINC000587147518 FI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(cnc3ccccc32)[nH]1 ZINC000587147602 FI Annotated Anodyne C=CCc1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587147836 FI Annotated Mild C=CCc1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587147841 FI Annotated Mild COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1C ZINC000587147869 FI Annotated Anodyne Fc1ccc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1 ZINC000587147899 FI Annotated Anodyne Fc1ccc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1 ZINC000587147900 FI Annotated Anodyne COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1F ZINC000587147975 FI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)ncc(F)c2[nH]1 ZINC000587148057 FI Annotated Anodyne Oc1c(Br)ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 ZINC000587148070 FI Annotated Anodyne Oc1c(Br)ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 ZINC000587148071 FI Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c(F)c1 ZINC000587148165 FI Annotated Anodyne COc1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1 ZINC000587148169 FI Annotated Anodyne COc1ccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(F)c1 ZINC000587148178 FI Annotated Anodyne Fc1ccc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 ZINC000587148185 FI Annotated Anodyne Fc1ccc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 ZINC000587148186 FI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(ccc3ncccc32)[nH]1 ZINC000587148350 FI Annotated Anodyne Cc1nc2[nH]c(/C=C/c3ccc(F)cc3F)nc2cc1Br ZINC000587148370 FI Annotated Anodyne Cc1nc2[nH]c(/C=C\c3ccc(F)cc3F)nc2cc1Br ZINC000587148371 FI Annotated Anodyne Cc1ccc2c(ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c32)n1 ZINC000587148438 FI Annotated Bother COc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1 ZINC000587148442 FI Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F ZINC000587148481 FI Annotated Bother COc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c(F)c1 ZINC000587148497 FI Annotated Anodyne COc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c(F)c1 ZINC000587148613 FI Annotated Anodyne Fc1ccccc1CCc1nc2cccc(I)c2[nH]1 ZINC000587148673 FI Annotated Anodyne NC(=O)c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587148716 FI Annotated Anodyne NC(=O)c1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587148717 FI Annotated Anodyne Fc1ccccc1CCc1nc2ccc(I)cc2[nH]1 ZINC000587148778 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587148860 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587148862 FI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1F ZINC000587148937 FI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1F ZINC000587148940 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000587148966 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000587148971 FI Annotated Anodyne Cc1cc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2cc1[N+](=O)[O-] ZINC000587149037 FI Annotated Bother COc1ccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c(F)c1 ZINC000587149064 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587149083 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587149086 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F ZINC000587149123 FI Annotated Bother COc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1 ZINC000587149125 FI Annotated Bother O=C1C[C@@H](c2nc3cccc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149187 FI Annotated Anodyne O=C1C[C@H](c2nc3cccc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149188 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3ccccc3F)[nH]c21 ZINC000587149218 FI Annotated Clean O=[N+]([O-])c1c(Br)ccc2nc(CCc3ccccc3F)[nH]c12 ZINC000587149264 FI Annotated Bother COc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cn1 ZINC000587149364 FI Annotated Anodyne COc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cn1 ZINC000587149365 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000587149418 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000587149419 FI Annotated Anodyne COc1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1 ZINC000587149429 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000587149447 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000587149448 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587149449 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587149459 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F ZINC000587149478 FI Annotated Bother COc1nccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587149563 FI Annotated Anodyne COc1nccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587149564 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587149597 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587149598 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(F)cc3F)nc12 ZINC000587149671 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(F)cc3F)nc12 ZINC000587149672 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1F ZINC000587149766 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1F ZINC000587149767 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1F ZINC000587149768 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1F ZINC000587149769 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F ZINC000587149784 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F ZINC000587149785 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F ZINC000587149786 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1F ZINC000587149789 FI Annotated Anodyne Oc1nc2cc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc2[nH]1 ZINC000587149816 FI Annotated Anodyne Oc1nc2cc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc2[nH]1 ZINC000587149818 FI Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587149840 FI Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587149841 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587149844 FI Annotated Bother O=[N+]([O-])c1cncc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587149845 FI Annotated Bother Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587149895 FI Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587149896 FI Annotated Anodyne COc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1 ZINC000587149930 FI Annotated Anodyne COc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c(F)c1 ZINC000587149968 FI Annotated Anodyne Cc1nc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2cc1Br ZINC000587149979 FI Annotated Anodyne Cc1nc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2cc1Br ZINC000587149981 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587150043 FI Annotated Bother Nc1ccc(Oc2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)cc1 ZINC000587150149 FI Annotated Clean N[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(F)cc1F ZINC000587150155 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc12 ZINC000587150173 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc12 ZINC000587150174 FI Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(N)ccnc4[nH]3)c(F)c2)c(F)c1 ZINC000587150250 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587150446 FI Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587150447 FI Annotated Bother Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587150461 FI Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587150462 FI Annotated Anodyne Fc1ccccc1CCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587150489 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1F ZINC000587150550 FI Annotated Bother N[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(F)cc1F ZINC000587150613 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1F ZINC000587150622 FI Annotated Bother C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587150670 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587150671 FI Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150698 FI Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150699 FI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150700 FI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150701 FI Annotated Anodyne CSc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150752 FI Annotated Anodyne CSc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150774 FI Annotated Anodyne Fc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 ZINC000587150856 FI Annotated Anodyne Fc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 ZINC000587150863 FI Annotated Anodyne Fc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 ZINC000587150865 FI Annotated Anodyne Fc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1-n1cccn1 ZINC000587150866 FI Annotated Anodyne O=C1C[C@@H](c2nc3ccc(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150997 FI Annotated Anodyne O=C1C[C@H](c2nc3ccc(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150999 FI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1F ZINC000587151019 FI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1F ZINC000587151020 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587151027 FI Annotated Bother Cc1c(Br)cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1C ZINC000587151106 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCc3ccccc3F)[nH]c12 ZINC000587151171 FI Annotated Bother OCCc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587151400 FI Annotated Anodyne OCCc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587151402 FI Annotated Anodyne Fc1ccccc1CCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587151414 FI Annotated Anodyne NC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587151498 FI Annotated Anodyne NC(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587151499 FI Annotated Anodyne COc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 ZINC000587151548 FI Annotated Anodyne COc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 ZINC000587151550 FI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587151561 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587151563 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F ZINC000587151570 FI Annotated Bother C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587151649 FI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587151651 FI Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F ZINC000587151656 FI Annotated Bother COc1cncc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151687 FI Annotated Anodyne COc1cncc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151689 FI Annotated Anodyne Nc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1N ZINC000587151691 FI Annotated Anodyne Nc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1N ZINC000587151693 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587151765 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587151767 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587151768 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587151769 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1F ZINC000587151771 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1F ZINC000587151772 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1F ZINC000587151773 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1F ZINC000587151774 FI Annotated Anodyne Oc1nccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151856 FI Annotated Anodyne Oc1nccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151857 FI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1F ZINC000587151907 FI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1F ZINC000587151909 FI Annotated Anodyne N[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(F)cc1F ZINC000587151964 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1F ZINC000587151972 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1F ZINC000587151974 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1F ZINC000587151976 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1F ZINC000587151978 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 ZINC000587152081 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 ZINC000587152083 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1F ZINC000587152443 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1F ZINC000587152444 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1F ZINC000587152445 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1F ZINC000587152446 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1F ZINC000587152513 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1F ZINC000587152514 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1F ZINC000587152515 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1F ZINC000587152516 FI Annotated Anodyne Fc1ccccc1-c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587152694 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F ZINC000587153078 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F ZINC000587153083 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F ZINC000587153085 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F ZINC000587153086 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1F ZINC000587153163 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1F ZINC000587153164 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1F ZINC000587153165 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1F ZINC000587153166 FI Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccnc(O)c4[nH]3)c(F)c2)c(F)c1 ZINC000587153203 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587153839 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587153840 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587153841 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587153842 FI Annotated Anodyne Cn1nc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1O ZINC000587154264 FI Annotated Reactive CCOC(=O)Cc1ccc2nc([C@H](CC)Oc3ccccc3F)[nH]c2c1 ZINC000587154267 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2c1 ZINC000587154268 FI Annotated Anodyne C[C@@]1(c2nc3cccc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154293 FI Annotated Anodyne C[C@]1(c2nc3cccc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154295 FI Annotated Anodyne C[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154393 FI Annotated Anodyne C[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154394 FI Annotated Anodyne Cn1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(F)c1O ZINC000587154617 FI Annotated Anodyne COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Cl ZINC000587154638 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 ZINC000587154675 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 ZINC000587154677 FI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587154702 FI Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154736 FI Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154737 FI Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154738 FI Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154739 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587154750 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587154751 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587154752 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587154753 FI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154806 FI Annotated Anodyne C[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154807 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Cl ZINC000587154884 FI Annotated Bother Fc1cc(Br)cnc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587154898 FI Annotated Anodyne Fc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)nc1Br ZINC000587154900 FI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4ccc(F)c(Br)n4)nc32)n1 ZINC000587154964 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587155015 FI Annotated Bother CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587155019 FI Annotated Bother CC[C@@H](Oc1ccccc1F)c1nc2cncc(Br)c2[nH]1 ZINC000587155035 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cncc(Br)c2[nH]1 ZINC000587155037 FI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587155038 FI Annotated Anodyne COc1cc(-c2nc3ccc(SC)cc3[nH]2)nn1-c1ccccc1F ZINC000587155072 FI Annotated Anodyne CCCc1nc(-c2nc3cc(C)c(OC)cc3[nH]2)nn1-c1ccccc1F ZINC000587155272 FI Annotated Anodyne Fc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)nc1Br ZINC000587155320 FI Annotated Anodyne COc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)nn1-c1ccccc1F ZINC000587155327 FI Annotated Anodyne Fc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)nc1Br ZINC000587155365 FI Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Cl ZINC000587155375 FI Annotated Bother Fc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)nc1Br ZINC000587155376 FI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587155413 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587155532 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587155534 FI Annotated Anodyne CC(C)Oc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 ZINC000587155572 FI Annotated Anodyne N[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155699 FI Annotated Bother N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155700 FI Annotated Bother N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155701 FI Annotated Bother N[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155702 FI Annotated Bother Fc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)nc1Br ZINC000587155735 FI Annotated Anodyne COc1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)nn1-c1ccccc1F ZINC000587155742 FI Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 ZINC000587155750 FI Annotated Mild Fc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)nc1Br ZINC000587155774 FI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587155775 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ncc(Br)cc3F)nc2c1 ZINC000587155839 FI Annotated Mild COc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587155851 FI Annotated Anodyne CCCc1nc(-c2nc3c(C)c(F)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155855 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccnc(Br)c2[nH]1 ZINC000587155865 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccnc(Br)c2[nH]1 ZINC000587155867 FI Annotated Anodyne CCCc1nc(-c2nc3c(F)c(F)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155931 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2c(Br)ccnc2[nH]1 ZINC000587155950 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2c(Br)ccnc2[nH]1 ZINC000587155952 FI Annotated Anodyne Cc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587156071 FI Annotated Anodyne Cc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587156072 FI Annotated Anodyne Cc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587156073 FI Annotated Anodyne Cc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587156074 FI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156075 FI Annotated Anodyne C[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156076 FI Annotated Anodyne C[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156093 FI Annotated Anodyne C[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156094 FI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587156120 FI Annotated Anodyne Fc1ccc(-c2nc3c(Br)cccc3[nH]2)nc1Br ZINC000587156142 FI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587156168 FI Annotated Anodyne Fc1ccc(-c2nc3cc(Br)ccc3[nH]2)nc1Br ZINC000587156207 FI Annotated Anodyne COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Cl ZINC000587156216 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cnc2[nH]1 ZINC000587156268 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cnc2[nH]1 ZINC000587156269 FI Annotated Anodyne COc1cc(-c2nc3ccc4ncccc4c3[nH]2)nn1-c1ccccc1F ZINC000587156333 FI Annotated Anodyne COc1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587156342 FI Annotated Mild CCCc1nc(-c2nc3c(Cl)ncc(F)c3[nH]2)nn1-c1ccccc1F ZINC000587156345 FI Annotated Anodyne COc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1Cl ZINC000587156363 FI Annotated Anodyne N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156418 FI Annotated Bother N[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156420 FI Annotated Bother N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156422 FI Annotated Bother N[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156424 FI Annotated Bother CCCc1nc(-c2nc3c(Cl)ncc(C)c3[nH]2)nn1-c1ccccc1F ZINC000587156480 FI Annotated Anodyne CCCc1nc(-c2nc3cc(F)c(OC)cc3[nH]2)nn1-c1ccccc1F ZINC000587156509 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)ncc2[nH]1 ZINC000587156532 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(Br)ncc2[nH]1 ZINC000587156533 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587156546 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587156547 FI Annotated Anodyne CCCc1nc(-c2nc3c(ccc4ncccc43)[nH]2)nn1-c1ccccc1F ZINC000587156592 FI Annotated Anodyne CCCc1nc(-c2nc3c(cnc4ccccc43)[nH]2)nn1-c1ccccc1F ZINC000587156609 FI Annotated Anodyne CCCc1nc(-c2nc3c(F)cc(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156774 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587156803 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587156806 FI Annotated Anodyne CCCc1nc(-c2nc3cc(F)c(C)cc3[nH]2)nn1-c1ccccc1F ZINC000587156819 FI Annotated Anodyne CCCc1nc(-c2nc3cc(F)c(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156826 FI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)nc2[nH]1 ZINC000587156829 FI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)nc2[nH]1 ZINC000587156830 FI Annotated Anodyne COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)nn1-c1ccccc1F ZINC000587156872 FI Annotated Anodyne CC(C)Oc1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 ZINC000587156895 FI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587156957 FI Annotated Mild Cc1ccc2c(ccc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c32)n1 ZINC000587157033 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c32)n1 ZINC000587157034 FI Annotated Anodyne N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157047 FI Annotated Anodyne N[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157048 FI Annotated Anodyne N[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157049 FI Annotated Anodyne N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157050 FI Annotated Anodyne COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)nn1-c1ccccc1F ZINC000587157133 FI Annotated Anodyne COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)nn1-c1ccccc1F ZINC000587157185 FI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587157222 FI Annotated Mild CCCc1nc(-c2nc3c(F)cc(C)cc3[nH]2)nn1-c1ccccc1F ZINC000587157260 FI Annotated Anodyne C[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157305 FI Annotated Bother C[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157306 FI Annotated Bother Nc1ccc(Oc2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587157307 FI Annotated Clean Nc1ccc(Oc2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587157308 FI Annotated Clean Nc1ccc(Oc2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587157309 FI Annotated Clean Nc1ccc(Oc2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 ZINC000587157310 FI Annotated Clean COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl ZINC000587157323 FI Annotated Anodyne COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl ZINC000587157324 FI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157359 FI Annotated Anodyne C[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157360 FI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnncc3[nH]2)c(Cl)c1 ZINC000587157547 FI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cnncc3[nH]2)c(Cl)c1 ZINC000587157550 FI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587157555 FI Annotated Mild O=C(O)c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587157614 FI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 ZINC000587157706 FI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587157779 FI Annotated Bother Cc1c(Br)cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1C ZINC000587157930 FI Annotated Anodyne Cc1c(Br)cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1C ZINC000587157944 FI Annotated Anodyne Cc1c(Br)cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1C ZINC000587157947 FI Annotated Anodyne Cc1c(Br)cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1C ZINC000587157949 FI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587157965 FI Annotated Mild O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587158020 FI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587158164 FI Annotated Anodyne C[C@@]1(c2nc3ccc(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158343 FI Annotated Anodyne C[C@]1(c2nc3ccc(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158345 FI Annotated Anodyne C[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158360 FI Annotated Anodyne C[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158364 FI Annotated Anodyne Cc1ccc2c(ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c32)n1 ZINC000587158409 FI Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587158447 FI Annotated Bother C[C@]1(c2nc3cc(C#N)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158546 FI Annotated Mild C[C@@]1(c2nc3cc(C#N)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158548 FI Annotated Mild N=c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c[nH]1 ZINC000587158608 FI Annotated Anodyne N=c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c[nH]1 ZINC000587158612 FI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ncc[nH]c-3n2)c(Cl)c1 ZINC000587158634 FI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ncc[nH]c-3n2)c(Cl)c1 ZINC000587158635 FI Annotated Anodyne N=c1[nH]ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587158701 FI Annotated Anodyne N=c1[nH]ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587158702 FI Annotated Anodyne OCc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 ZINC000587158705 FI Annotated Anodyne Oc1nncc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587158709 FI Annotated Anodyne Oc1nncc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587158710 FI Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587158761 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587158833 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587158834 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587158835 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587158837 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 ZINC000587158861 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 ZINC000587158865 FI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Cl)ncc3[nH]2)cc1 ZINC000587158925 FI Annotated Anodyne N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158996 FI Annotated Anodyne N[C@@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158997 FI Annotated Anodyne N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587158998 FI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncnc3[nH]2)c(Cl)c1 ZINC000587159037 FI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cncnc3[nH]2)c(Cl)c1 ZINC000587159038 FI Annotated Anodyne N[C@@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587159090 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 ZINC000587159124 FI Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587159157 FI Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587159164 FI Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587159183 FI Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587159226 FI Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(CCO)ccc3[nH]2)cc1 ZINC000587159342 FI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000587159364 FI Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587159420 FI Annotated Anodyne COc1cncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159439 FI Annotated Anodyne COc1nccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159440 FI Annotated Anodyne OCCc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 ZINC000587159481 FI Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587159580 FI Annotated Anodyne COc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2n1 ZINC000587159629 FI Annotated Anodyne COc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cn1 ZINC000587159714 FI Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587159751 FI Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587159764 FI Annotated Bother Oc1ncnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 ZINC000587159843 FI Annotated Anodyne Oc1ncnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 ZINC000587159844 FI Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587159932 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159944 FI Annotated Bother Cc1cc(Br)cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 ZINC000587159984 FI Annotated Bother Cc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587160025 FI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587160027 FI Annotated Bother N#Cc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F ZINC000587160065 FI Annotated Mild O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587160086 FI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587160120 FI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587160127 FI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587160137 FI Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 ZINC000587160151 FI Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 ZINC000587160185 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 ZINC000587160212 FI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587160253 FI Annotated Bother Cc1c(Br)ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 ZINC000587160390 FI Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587160394 FI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587160459 FI Annotated Bother Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1F ZINC000587160547 FI Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587160654 FI Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 ZINC000587160655 FI Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587160669 FI Annotated Bother Fc1cc(Br)cc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587160711 FI Annotated Anodyne C=CCc1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587160760 FI Annotated Mild Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1C ZINC000587160771 FI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587160855 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc(F)cc(Br)c3)nc2cc1[N+](=O)[O-] ZINC000587160983 FI Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1F ZINC000587160990 FI Annotated Bother COc1cc(OC)c2[nH]c(-c3cc(F)cc(Br)c3)nc2c1 ZINC000587161011 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cc(F)cc(Br)c3)[nH]c12 ZINC000587161050 FI Annotated Mild Cc1ccc(C)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 ZINC000587161165 FI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587161166 FI Annotated Anodyne Fc1cc(Br)cc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587161260 FI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587161342 FI Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(Cl)cc4[nH]3)c2Cl)c1 ZINC000587161414 FI Annotated Anodyne Fc1cc(Br)cc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587161614 FI Annotated Anodyne O=C1CCc2cc3nc(-c4cc(F)cc(Br)c4)[nH]c3cc2N1 ZINC000587161651 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 ZINC000587161719 FI Annotated Mild O=C(CCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1 ZINC000587161763 FI Annotated Anodyne O=C(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1cccc(F)c1 ZINC000587161809 FI Annotated Anodyne O=C(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587161812 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587161864 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587161866 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587161867 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587161868 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587161869 FI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587161875 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587161876 FI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587161877 FI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587161878 FI Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587161980 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)cc1N ZINC000587162191 FI Annotated Anodyne O=C(CCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587162202 FI Annotated Anodyne CCc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162295 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 ZINC000587162484 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 ZINC000587162487 FI Annotated Anodyne CSc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162537 FI Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cccc(Cl)c4[nH]3)c2Cl)c1 ZINC000587162571 FI Annotated Anodyne Cc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587162743 FI Annotated Anodyne Cc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587162746 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587162791 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587162792 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587162806 FI Annotated Mild CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587162814 FI Annotated Mild CN(C)[C@@H](c1ccc(F)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587162821 FI Annotated Bother CN(C)[C@H](c1ccc(F)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587162823 FI Annotated Bother CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587162931 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587162932 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587163038 FI Annotated Anodyne Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1C ZINC000587163064 FI Annotated Anodyne O=C(CCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587163135 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587163208 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587163209 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587163279 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587163282 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587163306 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587163307 FI Annotated Anodyne O=C(CCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587163314 FI Annotated Anodyne N=c1[nH]c2nc(/C(=C/c3ccc(F)cc3)c3cccs3)nc-2c(Cl)[nH]1 ZINC000587163367 FI Annotated Anodyne N=c1[nH]c2nc(/C(=C\c3ccc(F)cc3)c3cccs3)nc-2c(Cl)[nH]1 ZINC000587163369 FI Annotated Anodyne N#Cc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1C(F)(F)F ZINC000587163375 FI Annotated Mild O=C(CCc1nc2cccc(Br)c2[nH]1)Nc1cccc(F)c1 ZINC000587163394 FI Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587163427 FI Annotated Anodyne NC(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163436 FI Annotated Anodyne NC(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163438 FI Annotated Anodyne O=C(CCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587163538 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c12 ZINC000587163613 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c12 ZINC000587163614 FI Annotated Anodyne O=C(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587163676 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587163841 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587163912 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587163914 FI Annotated Anodyne O=C(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1cccc(F)c1 ZINC000587164009 FI Annotated Anodyne O=C(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1cccc(F)c1 ZINC000587164124 FI Annotated Anodyne O=C(CCc1nc2cccc(C(F)(F)F)c2[nH]1)Nc1cccc(F)c1 ZINC000587164145 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c12 ZINC000587164163 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c12 ZINC000587164164 FI Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587164242 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 ZINC000587164389 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1 ZINC000587164390 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587164546 FI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587164547 FI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587164673 FI Annotated Bother CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587164674 FI Annotated Bother COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Cl ZINC000587164819 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587164841 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 ZINC000587164952 FI Annotated Anodyne Cc1ccc2c(ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c32)n1 ZINC000587164961 FI Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2n1 ZINC000587164976 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 ZINC000587164990 FI Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 ZINC000587165152 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 ZINC000587165158 FI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cn1 ZINC000587165178 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Cl ZINC000587165213 FI Annotated Bother Fc1ccc(-c2cnn(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 ZINC000587165252 FI Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587165282 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cccc(Br)c4[nH]3)c2)cc1 ZINC000587165319 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 ZINC000587165323 FI Annotated Anodyne CC(C)Oc1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165327 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 ZINC000587165345 FI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc(Br)cc4[nH]3)c2)cc1 ZINC000587165390 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 ZINC000587165466 FI Annotated Mild Cc1cncc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587165749 FI Annotated Anodyne Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165797 FI Annotated Anodyne Cc1ccnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 ZINC000587165947 FI Annotated Anodyne Cc1cnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 ZINC000587165954 FI Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(F)cnc5[nH]4)csc3n2)cc1 ZINC000587165988 FI Annotated Anodyne Oc1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587166120 FI Annotated Anodyne Cc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 ZINC000587166182 FI Annotated Anodyne Cc1nccc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 ZINC000587166198 FI Annotated Anodyne Cc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166254 FI Annotated Anodyne Cc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166259 FI Annotated Anodyne Cc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166403 FI Annotated Anodyne O=C(/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166481 FI Annotated Anodyne O=C(/C=C\c1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166483 FI Annotated Anodyne Cc1c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166514 FI Annotated Mild Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(-c2ccc(F)cc2)n1C ZINC000587166599 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 ZINC000587166667 FI Annotated Anodyne Oc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166682 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166706 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166707 FI Annotated Anodyne Cc1cc(Br)cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587166778 FI Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587166779 FI Annotated Anodyne O=C(/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccc(F)cc1 ZINC000587167199 FI Annotated Anodyne O=C(/C=C\c1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccc(F)cc1 ZINC000587167200 FI Annotated Anodyne O=C(/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167337 FI Annotated Anodyne O=C(/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167338 FI Annotated Anodyne Cc1c(F)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587167814 FI Annotated Anodyne Fc1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587167909 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc12 ZINC000587167964 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)Oc3ccc(F)cc3)nc12 ZINC000587167966 FI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587168012 FI Annotated Mild C[C@H](Oc1ccc(F)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587168013 FI Annotated Mild Fc1ccc(-n2nnc(-c3nc4cc(F)c(F)cc4[nH]3)c2C2CC2)cc1 ZINC000587168217 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2C2CC2)cc1 ZINC000587168220 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4ccc(Cl)cc4[nH]3)c2C2CC2)cc1 ZINC000587168234 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cnc5ccccc5c4[nH]3)c2C2CC2)cc1 ZINC000587168245 FI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587168273 FI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587168274 FI Annotated Anodyne Fc1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587168368 FI Annotated Anodyne Cc1nc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2cc1Br ZINC000587168532 FI Annotated Anodyne Cc1nc2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2cc1Br ZINC000587168533 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 ZINC000587168685 FI Annotated Anodyne Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1F ZINC000587168700 FI Annotated Anodyne CC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168701 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cccc(Cl)c4[nH]3)c2C2CC2)cc1 ZINC000587168709 FI Annotated Anodyne Fc1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587168810 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(F)cc(F)c4[nH]3)c2C2CC2)cc1 ZINC000587168872 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587168914 FI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587168955 FI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587168957 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2C2CC2)cc1 ZINC000587168967 FI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587168985 FI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587168986 FI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccc(F)cc3)[nH]c21 ZINC000587169010 FI Annotated Clean Fc1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587169072 FI Annotated Anodyne COc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1C ZINC000587169195 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4ccc(F)c(F)c4[nH]3)c2C2CC2)cc1 ZINC000587169211 FI Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4ccc5ncccc5c4[nH]3)c2C2CC2)cc1 ZINC000587169242 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1OC ZINC000587169826 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1OC ZINC000587169827 FI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587170003 FI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587170004 FI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587170414 FI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587170416 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc(OC(F)(F)F)cc4[nH]3)c1)OCOC2 ZINC000587170520 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Cl)c(F)c(F)c4[nH]3)c1)OCOC2 ZINC000587170523 FI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587170565 FI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587170566 FI Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)CSc3ccc(F)cc3)nc2cc1OC ZINC000587170573 FI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc2cc1OC ZINC000587170574 FI Annotated Anodyne O=c1c(-c2nc3cncc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170593 FI Annotated Anodyne O=c1c(-c2nc3ccc(F)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170595 FI Annotated Anodyne O=c1c(-c2nc3cc(F)cc(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170936 FI Annotated Anodyne O=c1c(-c2nc3ccnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170975 FI Annotated Anodyne O=c1c(-c2nc3cc(F)c(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170979 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cccc(OC(F)(F)F)c4[nH]3)c1)OCOC2 ZINC000587171070 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c1)OCOC2 ZINC000587171550 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)c1)OCOC2 ZINC000587171591 FI Annotated Anodyne O=c1c(-c2nc3cc(Cl)ncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171805 FI Annotated Anodyne O=c1c(-c2nc3ccc(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171863 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c1)OCOC2 ZINC000587171876 FI Annotated Anodyne O=c1c(-c2nc3cccc(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171888 FI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171893 FI Annotated Anodyne C[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171895 FI Annotated Anodyne O=c1c(-c2nc3ccc(Cl)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171907 FI Annotated Anodyne C[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171915 FI Annotated Anodyne C[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171916 FI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171994 FI Annotated Anodyne C[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171995 FI Annotated Anodyne C[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171996 FI Annotated Anodyne C[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171997 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c1)OCOC2 ZINC000587172111 FI Annotated Anodyne O=c1c(-c2nc3c(Cl)ccnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172122 FI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587172137 FI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587172138 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc(C(F)(F)F)cc4[nH]3)c1)OCOC2 ZINC000587172140 FI Annotated Anodyne Fc1cc2c(c(Cc3nc4cccc(C(F)(F)F)c4[nH]3)c1)OCOC2 ZINC000587172157 FI Annotated Anodyne O=c1c(-c2nc3cc(Cl)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172212 FI Annotated Anodyne C[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172669 FI Annotated Anodyne C[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172670 FI Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587172825 FI Annotated Anodyne N#Cc1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587172945 FI Annotated Mild C[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173079 FI Annotated Anodyne C[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173080 FI Annotated Anodyne Cc1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587173456 FI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173604 FI Annotated Anodyne C[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173605 FI Annotated Anodyne Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c(C)n1 ZINC000587173613 FI Annotated Anodyne N#Cc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587173625 FI Annotated Mild COc1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587173651 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(F)cc3[nH]1)O2 ZINC000587173676 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(F)cc3[nH]1)O2 ZINC000587173678 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173723 FI Annotated Anodyne CC(C)Oc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173724 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)cnc(Cl)c3[nH]1)O2 ZINC000587173747 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3c(Br)cnc(Cl)c3[nH]1)O2 ZINC000587173748 FI Annotated Anodyne COc1ncc(F)cc1-c1nc2c(C)c(C)c(Br)cc2[nH]1 ZINC000587173854 FI Annotated Anodyne O=C1CCc2cc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3cc2N1 ZINC000587173898 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(F)c3[nH]1)O2 ZINC000587174101 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(F)c3[nH]1)O2 ZINC000587174102 FI Annotated Anodyne C[C@@]1(c2nc3ccc4c(c3[nH]2)CCCC4)Cc2ccc(F)cc2C(=O)O1 ZINC000587174190 FI Annotated Anodyne C[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)Cc2ccc(F)cc2C(=O)O1 ZINC000587174192 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3c(Cl)c(Br)cnc3[nH]1)O2 ZINC000587174211 FI Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 ZINC000587174309 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3c(Cl)c(Br)cnc3[nH]1)O2 ZINC000587174316 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2c1 ZINC000587174376 FI Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2c1 ZINC000587174377 FI Annotated Mild Fc1ccc2c(c1)C[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 ZINC000587174463 FI Annotated Bother Fc1ccc2c(c1)C[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 ZINC000587174467 FI Annotated Bother Fc1ccc2c(c1)C[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 ZINC000587174505 FI Annotated Bother Fc1ccc2c(c1)C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 ZINC000587174506 FI Annotated Bother CC(C)(C)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 ZINC000587174749 FI Annotated Anodyne CC(C)(C)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 ZINC000587174750 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c32)n1 ZINC000587174804 FI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c32)n1 ZINC000587174807 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1OC ZINC000587174863 FI Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(Cl)c2c1 ZINC000587174886 FI Annotated Anodyne Fc1ccc2c(-c3nc4c(F)cnc(Br)c4[nH]3)coc2c1 ZINC000587175004 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(F)cc(Br)c3[nH]1)O2 ZINC000587175237 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(F)cc(Br)c3[nH]1)O2 ZINC000587175238 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(F)c3[nH]1)O2 ZINC000587175276 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(F)c3[nH]1)O2 ZINC000587175277 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)O2 ZINC000587175365 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(F)c(F)c3[nH]1)O2 ZINC000587175438 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3ccc(F)c(Br)c3[nH]1)O2 ZINC000587175543 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3ccc(F)c(Br)c3[nH]1)O2 ZINC000587175545 FI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587175588 FI Annotated Bother CN(C)CCOc1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 ZINC000587175607 FI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)O2 ZINC000587175615 FI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)O2 ZINC000587175617 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 ZINC000587175784 FI Annotated Anodyne Fc1cccc2c(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)n[nH]c12 ZINC000587175803 FI Annotated Anodyne Fc1cccc2c(-c3nc4ncc(Br)c(Cl)c4[nH]3)n[nH]c12 ZINC000587175830 FI Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587176105 FI Annotated Anodyne Cc1c(Br)ccc2nc(Cc3c(F)cncc3Cl)[nH]c12 ZINC000587176111 FI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587176132 FI Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587176137 FI Annotated Anodyne Fc1cc(Br)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 ZINC000587176148 FI Annotated Anodyne Nc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176217 FI Annotated Anodyne Cc1cc(Br)cc2nc(Cc3c(F)cncc3Cl)[nH]c12 ZINC000587176370 FI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587176373 FI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587176382 FI Annotated Bother COc1ncc(F)cc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587176406 FI Annotated Anodyne Fc1cccc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)n[nH]c12 ZINC000587176460 FI Annotated Bother Nc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cnc2c(F)cccc12 ZINC000587176500 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)cc1N ZINC000587176551 FI Annotated Anodyne N#Cc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1C(F)(F)F ZINC000587176584 FI Annotated Mild Fc1cncc(Cl)c1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587176590 FI Annotated Anodyne Fc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1Br ZINC000587176592 FI Annotated Anodyne Cc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br ZINC000587176596 FI Annotated Anodyne CCCOc1cc2nc(-c3cncc(F)c3)[nH]c2cc1Br ZINC000587176698 FI Annotated Anodyne Fc1cncc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587176709 FI Annotated Anodyne Nc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cnc2c(F)cccc12 ZINC000587176773 FI Annotated Anodyne N#Cc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1C(F)(F)F ZINC000587176982 FI Annotated Mild Fc1c(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1F ZINC000587176983 FI Annotated Anodyne Nc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cnc2c(F)cccc12 ZINC000587177016 FI Annotated Bother Fc1cncc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587177040 FI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cccc(I)c2[nH]1 ZINC000587177174 FI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587177185 FI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)nc3F)[nH]c12 ZINC000587177213 FI Annotated Bother Fc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177230 FI Annotated Anodyne CC(C)Oc1cc2nc(-c3cncc(F)c3)[nH]c2cc1Br ZINC000587177252 FI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587177369 FI Annotated Anodyne Fc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177375 FI Annotated Anodyne Fc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177407 FI Annotated Anodyne Fc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177458 FI Annotated Anodyne Fc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177503 FI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(Cl)nc4F)[nH]c3c2)cc1N ZINC000587177530 FI Annotated Anodyne Fc1cc(-c2nc3cccc(Br)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177549 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 ZINC000587177566 FI Annotated Mild Fc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(N2CCCC2)n1 ZINC000587177677 FI Annotated Anodyne Fc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(N2CCCC2)n1 ZINC000587177715 FI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587177716 FI Annotated Anodyne Fc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177717 FI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587177731 FI Annotated Anodyne Fc1cc(-c2nc3ccc(Br)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177753 FI Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000587177836 FI Annotated Unstable CC(C)Oc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 ZINC000587177892 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 ZINC000587177924 FI Annotated Mild Fc1ncc(Br)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587177930 FI Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587177974 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Cl ZINC000587177993 FI Annotated Bother Fc1ncc(Br)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587178014 FI Annotated Anodyne Fc1ncc(Br)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587178055 FI Annotated Anodyne COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Cl ZINC000587178205 FI Annotated Anodyne Fc1ncc(Br)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587178216 FI Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587178227 FI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587178261 FI Annotated Unstable C=CCc1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587180004 FI Annotated Unstable COc1ccc(-c2nc3cccc(C)c3[nH]2)c(I)c1 ZINC000587180426 FI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1 ZINC000587180549 FI Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587181124 FI Annotated Unstable CC[C@@H](C)n1ncc(I)c1-c1nc2ccccc2[nH]1 ZINC000587181144 FI Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ccccc2[nH]1 ZINC000587181147 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587181957 FI Annotated Anodyne Fc1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587181958 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587181986 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587182045 FI Annotated Anodyne Cc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1F ZINC000587182052 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587182083 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2cccc(F)c2[nH]1 ZINC000587182310 FI Annotated Anodyne Cc1cccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587182355 FI Annotated Anodyne Oc1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182459 FI Annotated Anodyne Cc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2n1 ZINC000587182498 FI Annotated Anodyne Oc1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182533 FI Annotated Anodyne Cc1cncc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182589 FI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587182605 FI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587182659 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587182700 FI Annotated Anodyne Fc1ccc(I)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587182701 FI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587182827 FI Annotated Anodyne Fc1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182888 FI Annotated Anodyne Fc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1F ZINC000587182976 FI Annotated Anodyne Oc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183012 FI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587183015 FI Annotated Anodyne Oc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183017 FI Annotated Anodyne Cc1cncc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183082 FI Annotated Anodyne Cc1cncc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183092 FI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587183101 FI Annotated Anodyne N#Cc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183150 FI Annotated Mild Fc1ccc(I)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587183154 FI Annotated Anodyne N#Cc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183158 FI Annotated Mild Fc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183511 FI Annotated Anodyne Fc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183518 FI Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587183609 FI Annotated Anodyne Fc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183697 FI Annotated Anodyne Fc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183698 FI Annotated Anodyne N#Cc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183821 FI Annotated Mild N#Cc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183822 FI Annotated Mild Cc1ccnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587183837 FI Annotated Anodyne Cc1nccc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183985 FI Annotated Anodyne Cc1nccc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183986 FI Annotated Anodyne Cc1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183991 FI Annotated Anodyne Cc1ccnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183992 FI Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184091 FI Annotated Anodyne Cc1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587184169 FI Annotated Anodyne Cc1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587184170 FI Annotated Anodyne Ic1cncc(-c2nc3cc4ccccc4cc3[nH]2)c1 ZINC000587184360 FI Annotated Anodyne Cc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 ZINC000587184791 FI Annotated Anodyne Cc1cncc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587184801 FI Annotated Anodyne Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl ZINC000587185023 FI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185040 FI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587185137 FI Annotated Anodyne Cc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 ZINC000587185178 FI Annotated Anodyne Cc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 ZINC000587185179 FI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185361 FI Annotated Anodyne Fc1cc2[nH]c(-c3cncc(I)c3)nc2cc1Cl ZINC000587185462 FI Annotated Anodyne N#C/C(=C/c1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587186921 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587186922 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587187141 FI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587187142 FI Annotated Reactive Cc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1C#N ZINC000587187160 FI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587187280 FI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587187282 FI Annotated Mild Cc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1C#N ZINC000587187362 FI Annotated Mild Cc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1C#N ZINC000587187363 FI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587187504 FI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587187506 FI Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587187575 FI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587187576 FI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587187795 FI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587187797 FI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587187923 FI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587187925 FI Annotated Reactive Cc1ccc(-c2nc3cccc(I)c3[nH]2)cc1C#N ZINC000587187985 FI Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587188100 FI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587188102 FI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587188205 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587188210 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587188225 FI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587188228 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587188262 FI Annotated Reactive CC(C)Oc1cc2nc(-c3ccc(O)c(C#N)c3)[nH]c2cc1Br ZINC000587188263 FI Annotated Mild N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587188264 FI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587188410 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587188411 FI Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc2c1 ZINC000587188412 FI Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc2c1 ZINC000587188413 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587188493 FI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587188495 FI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587188646 FI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587188647 FI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587188648 FI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587188649 FI Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587188990 FI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587188993 FI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587189224 FI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587189225 FI Annotated Mild N#Cc1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587189291 FI Annotated Mild CCCOc1cc2nc(-c3cc(O)cc(C#N)c3)[nH]c2cc1Br ZINC000587189433 FI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Oc3ccc(C#N)cc3)nc2c1 ZINC000587189450 FI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Oc3ccc(C#N)cc3)nc2c1 ZINC000587189457 FI Annotated Mild O=NCc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587189492 FI Annotated Clean Cc1c(Br)cc2nc(COc3ccc(C#N)cc3)[nH]c2c1C ZINC000587189495 FI Annotated Mild Cc1ccnc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587189569 FI Annotated Anodyne Cc1ccnc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587189571 FI Annotated Anodyne C=C(CN(C)C)c1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587189577 FI Annotated Mild O=NCc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000587189814 FI Annotated Bother CC(C)CCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br ZINC000587189881 FI Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br ZINC000587189896 FI Annotated Anodyne C(=NOCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587189966 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587189991 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587190011 FI Annotated Mild O=NCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000587190253 FI Annotated Anodyne O=NCc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000587190266 FI Annotated Bother C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587190331 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587190341 FI Annotated Mild N#Cc1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587190372 FI Annotated Mild Cc1nc2[nH]c([C@H](C)Oc3ccc(C#N)cc3)nc2cc1Br ZINC000587190419 FI Annotated Mild Cc1nc2[nH]c([C@@H](C)Oc3ccc(C#N)cc3)nc2cc1Br ZINC000587190425 FI Annotated Mild N#Cc1ccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000587190437 FI Annotated Mild FC(F)(F)C(F)(F)c1cc2[nH]c(C=NOCc3ccccc3)nc2cn1 ZINC000587190474 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587190561 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587190570 FI Annotated Mild Cc1c(Br)cc2[nH]c(C=NOCc3ccccc3)nc2c1C ZINC000587190611 FI Annotated Mild Cc1nccc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587190652 FI Annotated Anodyne Cc1nccc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587190655 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(O)c2[nH]1 ZINC000587190752 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(O)c2[nH]1 ZINC000587190753 FI Annotated Anodyne C=C(CN(C)C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587190774 FI Annotated Mild Cc1cnc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587190788 FI Annotated Anodyne Cc1cnc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587190789 FI Annotated Anodyne Cc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587190807 FI Annotated Anodyne Cc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587190808 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587190873 FI Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587190878 FI Annotated Mild Fc1c(Br)cc2[nH]c(C=NOCc3ccccc3)nc2c1F ZINC000587190907 FI Annotated Mild CC(C)Oc1cc2nc(-c3cc(O)cc(C#N)c3)[nH]c2cc1Br ZINC000587190935 FI Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1 ZINC000587190972 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1 ZINC000587190981 FI Annotated Anodyne C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587191016 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587191017 FI Annotated Mild Cc1c(Br)cnc2[nH]c([C@H](C)Oc3ccc(C#N)cc3)nc12 ZINC000587191024 FI Annotated Mild Cc1c(Br)cnc2[nH]c([C@@H](C)Oc3ccc(C#N)cc3)nc12 ZINC000587191025 FI Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587191037 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587191039 FI Annotated Anodyne N#Cc1cc(O)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587191092 FI Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587191122 FI Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587191123 FI Annotated Mild Nc1ccc(Oc2ccc3[nH]c(C=NOCc4ccccc4)nc3c2)cc1 ZINC000587191204 FI Annotated Mild N#Cc1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587191280 FI Annotated Mild N#Cc1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587191318 FI Annotated Mild N#Cc1ccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587191362 FI Annotated Mild Cc1cncc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587191408 FI Annotated Anodyne Cc1cncc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587191411 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1 ZINC000587191475 FI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1 ZINC000587191476 FI Annotated Anodyne N#Cc1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587191749 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587191900 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587191902 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587192006 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587192008 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587192165 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587192167 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587192224 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587192228 FI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587192364 FI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587192365 FI Annotated Mild CCCCCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br ZINC000587192600 FI Annotated Anodyne CCCCCOc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br ZINC000587192601 FI Annotated Anodyne C(=NOCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587192700 FI Annotated Mild CN(CCO)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587192738 FI Annotated Clean Cc1c(Br)cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1C ZINC000587193114 FI Annotated Clean Cc1cc(Cl)cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193346 FI Annotated Anodyne Cc1c(Cl)ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193709 FI Annotated Anodyne O=C(O)CCN(CCc1nc2cc3ccccc3cc2[nH]1)Cc1ccccc1 ZINC000587193797 FI Annotated Anodyne CN(C)c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)nc1 ZINC000587194347 FI Annotated Anodyne CN(C)c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)nc1 ZINC000587194492 FI Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587194515 FI Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587194737 FI Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587195010 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587195011 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587195012 FI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587195033 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc12 ZINC000587195118 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc12 ZINC000587195127 FI Annotated Anodyne COc1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587195138 FI Annotated Anodyne COc1cncc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587195230 FI Annotated Anodyne OCCc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587195328 FI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587195379 FI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587195380 FI Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)cc1 ZINC000587195403 FI Annotated Clean CN(C)c1ncccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587195517 FI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000587195598 FI Annotated Anodyne CN(C)c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)nc1 ZINC000587195635 FI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587195837 FI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000587195870 FI Annotated Anodyne Oc1nc2cc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3cc2[nH]1 ZINC000587196062 FI Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)nncc4[nH]3)cc2)cc1 ZINC000587196095 FI Annotated Clean CN(C)c1ncccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587196171 FI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587196434 FI Annotated Bother Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587196451 FI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000587196477 FI Annotated Anodyne COc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587196496 FI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000587196509 FI Annotated Anodyne COc1nccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587196537 FI Annotated Anodyne O=C(O)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587196625 FI Annotated Anodyne Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587196628 FI Annotated Anodyne Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587196640 FI Annotated Anodyne Cc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587196655 FI Annotated Anodyne Cc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587196657 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000587196759 FI Annotated Anodyne Cc1cc(C)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587196775 FI Annotated Anodyne Cc1cc(C)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587196777 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000587196839 FI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587196850 FI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587196851 FI Annotated Anodyne c1ccc(CN(Cc2nc3cc4c(cc3[nH]2)OCO4)c2ccccc2)cc1 ZINC000587196886 FI Annotated Anodyne O=[N+]([O-])c1cncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587196897 FI Annotated Bother CCc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587196985 FI Annotated Anodyne CCc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587196986 FI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587196988 FI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587196989 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587197054 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587197055 FI Annotated Anodyne COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1OC ZINC000587197271 FI Annotated Anodyne CC(C)[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197278 FI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587197350 FI Annotated Mild C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587197353 FI Annotated Mild COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587197590 FI Annotated Anodyne CC(C)[C@@H](c1nc2ccc(C#N)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197613 FI Annotated Mild CC(C)[C@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197619 FI Annotated Mild Cc1cc2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587197713 FI Annotated Bother C=CCc1cccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197745 FI Annotated Mild CC(C)[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197747 FI Annotated Bother COc1cc(OC)c2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587197798 FI Annotated Anodyne C=CCc1cccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197829 FI Annotated Mild Cc1nc2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2cc1Br ZINC000587197955 FI Annotated Anodyne Cc1nc2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2cc1Br ZINC000587197956 FI Annotated Anodyne CC(C)[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OC(C)(C)C ZINC000587198012 FI Annotated Anodyne CC(C)[C@@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198015 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587198057 FI Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(F)c2[nH]1 ZINC000587198362 FI Annotated Anodyne Cc1nccc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc12 ZINC000587198517 FI Annotated Anodyne COc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587198706 FI Annotated Anodyne Cc1cccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 ZINC000587198837 FI Annotated Anodyne COc1cccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 ZINC000587198900 FI Annotated Anodyne CC(C)Oc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1Br ZINC000587198978 FI Annotated Anodyne Cc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587199043 FI Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c(C)n1 ZINC000587199093 FI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C(C)C)N(C)C)[nH]c3c2)cc1 ZINC000587199147 FI Annotated Anodyne CCCOc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1Br ZINC000587199187 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587200560 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Cl)nc2[nH]1 ZINC000587200858 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587200871 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587200974 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Cl)ccnc2[nH]1 ZINC000587201044 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587201120 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 ZINC000587201129 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccnc(Cl)c2[nH]1 ZINC000587201153 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587201161 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587201192 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587201202 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587201331 FI Annotated Bother CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)cnc2[nH]1 ZINC000587201434 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587201480 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587201491 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587201499 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc2c1 ZINC000587201506 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587201551 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cncc(Cl)c2[nH]1 ZINC000587201555 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587201557 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587201580 FI Annotated Anodyne CCOC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 ZINC000587201588 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587201619 FI Annotated Anodyne CC(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587201647 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587201660 FI Annotated Bother COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587201803 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587201848 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)ncc2[nH]1 ZINC000587201864 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587201892 FI Annotated Bother COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587201908 FI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587201930 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000587202150 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587202241 FI Annotated Anodyne C=C(NC(C)=O)c1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587202296 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)C(C)(C)C ZINC000587202585 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)C(C)(C)C ZINC000587202586 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(F)c3[nH]2)c1 ZINC000587202702 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000587202821 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000587202864 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)C(C)(C)C ZINC000587203301 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)C(C)(C)C ZINC000587203303 FI Annotated Anodyne Cc1cccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587203335 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587203336 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cncc(Cl)c2[nH]1)C(C)(C)C ZINC000587203617 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)C(C)(C)C ZINC000587203618 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(C)(C)C ZINC000587203637 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(C)(C)C ZINC000587203638 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587203904 FI Annotated Anodyne COc1cccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587204459 FI Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1C ZINC000587204462 FI Annotated Anodyne COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1C ZINC000587204464 FI Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587204631 FI Annotated Anodyne Cc1cc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c(C)n1 ZINC000587204672 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)C(C)(C)C ZINC000587204851 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)C(C)(C)C ZINC000587204852 FI Annotated Anodyne CC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587205343 FI Annotated Anodyne CC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587205344 FI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587205506 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587205510 FI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587205609 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587205610 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@@H](C(=O)O)C[C@@H]31 ZINC000587205709 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@H](C(=O)O)C[C@H]31 ZINC000587205710 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@H](C(=O)O)C[C@@H]31 ZINC000587205714 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@@H](C(=O)O)C[C@H]31 ZINC000587205716 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 ZINC000587205731 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 ZINC000587205735 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587206043 FI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587206048 FI Annotated Anodyne O=C(O)Cc1c(-c2ccco2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206342 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(O)c(O)c1C3 ZINC000587206387 FI Annotated Clean CC(=O)N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 ZINC000587206465 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 ZINC000587206468 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(C3)CC(C(=O)O)C1 ZINC000587206534 FI Annotated Anodyne CC1(C)CC(=O)C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)C1 ZINC000587206710 FI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587206812 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587206816 FI Annotated Anodyne O=C(O)Cc1c(-c2ccccc2Br)nc2cccc3c2c1CC3 ZINC000587206934 FI Annotated Anodyne N=c1[nH]c2c(s1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O ZINC000587207139 FI Annotated Anodyne N=c1[nH]c2cc(Br)cc(-c3cc4c5c(cccc5n3)CC4)c2o1 ZINC000587207551 FI Annotated Anodyne O=C(O)c1cnc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 ZINC000587207572 FI Annotated Anodyne CC1(C)Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000587207605 FI Annotated Anodyne CC1(C)Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000587207607 FI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc(-c2cc3c4c(cccc4n2)CC3)c1O ZINC000587207630 FI Annotated Bother O=C1c2ccccc2-c2cc(-c3c(O)cc(O)cc3O)nc3cccc1c23 ZINC000587207642 FI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(O)c3O)nc3cccc1c23 ZINC000587207648 FI Annotated Clean O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1nccs1 ZINC000587207692 FI Annotated Anodyne COC(=O)c1coc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587207736 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)c(O)cc1C3 ZINC000587207863 FI Annotated Clean O=C(O)c1ncsc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208163 FI Annotated Anodyne COc1nc(C)c(-c2cc3c4c(cccc4n2)CC3)cc1Br ZINC000587208266 FI Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)CC3)c(N)c1Br ZINC000587208276 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(Br)cc1 ZINC000587208297 FI Annotated Anodyne COc1cc(O)c(-c2cc3c4c(cccc4n2)CC3)cc1Br ZINC000587208298 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccccc1Br ZINC000587208301 FI Annotated Anodyne COc1ccc2c(C)c3c(nc2c1Br)-c1c(N)cccc1C3 ZINC000587208306 FI Annotated Anodyne O=C(O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 ZINC000587208327 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)c1cc(Br)ccc1O ZINC000587208368 FI Annotated Anodyne N=c1[nH]c2c(s1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208754 FI Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c(Cl)c1 ZINC000587208755 FI Annotated Anodyne O=C(CBr)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587208770 FI Annotated Reactive Clc1cc(N2CCOCC2)ccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208987 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587209002 FI Annotated Bother O=C(O)[C@]1(c2ccc(Cl)cc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587209078 FI Annotated Anodyne O=C(O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587209079 FI Annotated Anodyne O=C(O)[C@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587209340 FI Annotated Anodyne O=C(O)[C@@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587209341 FI Annotated Anodyne O=C1c2ccccc2N/C(=C/Cl)N1Cc1cc2c3c(cccc3n1)CC2 ZINC000587209453 FI Annotated Anodyne O=C1c2ccccc2N/C(=C\Cl)N1Cc1cc2c3c(cccc3n1)CC2 ZINC000587209454 FI Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587209559 FI Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587209574 FI Annotated Anodyne C[C@@H]1CC2(Cc3c1nc1cccc4c1c3-c1ccccc1C4=O)OCCO2 ZINC000587209699 FI Annotated Anodyne C[C@H]1CC2(Cc3c1nc1cccc4c1c3-c1ccccc1C4=O)OCCO2 ZINC000587209700 FI Annotated Anodyne CCOC(=O)CSCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209709 FI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CC2(C[C@H]31)OCCO2 ZINC000587209723 FI Annotated Anodyne Cc1nc(O)nc(S)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209853 FI Annotated Anodyne CSc1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(=N)[nH]1 ZINC000587209918 FI Annotated Anodyne COP(=O)(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)OC ZINC000587209933 FI Annotated Anodyne O=S(=O)(CC(F)F)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587210277 FI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)C(F)(F)C(F)(F)F ZINC000587210339 FI Annotated Mild CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1F ZINC000587210390 FI Annotated Anodyne CCN1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2F)CC1 ZINC000587210631 FI Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 ZINC000587210686 FI Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 ZINC000587210692 FI Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1-c1cccc2ncccc12 ZINC000587211050 FI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](c2cc3c4c(cccc4n2)CC3)COC1(C)C ZINC000587211206 FI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](c2cc3c4c(cccc4n2)CC3)COC1(C)C ZINC000587211207 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3nc4cccc5c4c(c3C2)CC5)C1 ZINC000587211224 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3nc4cccc5c4c(c3C2)CC5)C1 ZINC000587211228 FI Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)nc4cccc5c4c3CC5)c(=O)c2c1 ZINC000587211230 FI Annotated Anodyne O=C(N[C@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 ZINC000587211272 FI Annotated Anodyne O=C(N[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 ZINC000587211274 FI Annotated Anodyne O=C(OCc1ccccc1)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2C1 ZINC000587211487 FI Annotated Anodyne O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587211488 FI Annotated Anodyne O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)CC5 ZINC000587211489 FI Annotated Anodyne O=C(OCc1ccccc1)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587211491 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3CC[C@@H]21)CC5 ZINC000587211498 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3CC[C@H]21)CC5 ZINC000587211502 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3CC[C@H]21)CC5 ZINC000587211504 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3CC[C@@H]21)CC5 ZINC000587211506 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c2nc2cccc3c2c1CC3 ZINC000587211693 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCc3nc4cccc5c4c(c3C2)CC5)C1 ZINC000587211708 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4cccc5c4c3CC5)[C@H]2C1 ZINC000587211715 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4cccc5c4c3CC5)[C@@H]2C1 ZINC000587211716 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4cccc5c4c(c3CC[C@H]2C1)CC5 ZINC000587211717 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3c(nc4cccc5c4c3CC5)[C@H]2C1 ZINC000587211718 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc3cccc4c3c(c1C2)CC4 ZINC000587212000 FI Annotated Anodyne COc1ccc2[nH]c(C)c(CCc3cc4c5c(cccc5n3)CC4)c(=O)c2c1 ZINC000587212037 FI Annotated Anodyne Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1I ZINC000587212058 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587212299 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587212300 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2C1 ZINC000587212301 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4cccc5c4c(c3[C@H]2C1)CC5 ZINC000587212303 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H](C2)C1)CC5 ZINC000587212327 FI Annotated Anodyne Oc1ccc(I)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587212361 FI Annotated Anodyne O=C(O)C1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 ZINC000587212383 FI Annotated Anodyne CCN(CC)C(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587212420 FI Annotated Anodyne COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587212430 FI Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587212431 FI Annotated Anodyne CCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCOCC1 ZINC000587212566 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3c(nc4cccc5c4c3CC5)C2)C1 ZINC000587212709 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3c(nc4cccc5c4c3CC5)C2)C1 ZINC000587212717 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3nc4cccc5c4c(c3C2)CC5)C1 ZINC000587212822 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3nc4cccc5c4c(c3C2)CC5)C1 ZINC000587212824 FI Annotated Anodyne Nc1ccc(I)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587212843 FI Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCc1c-2nc2cccc3c2c1CC3)C(=O)O ZINC000587213310 FI Annotated Anodyne Cc1c2c(nc3ccc(I)cc13)-c1c(N)cccc1C2 ZINC000587213380 FI Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1OC ZINC000587213549 FI Annotated Anodyne O=C(NC[C@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 ZINC000587214412 FI Annotated Anodyne O=C(NC[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCc1ccccc1 ZINC000587214413 FI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCc4cc5c6c(cccc6n4)CC5)[C@@H]3C[C@H]12 ZINC000587215079 FI Annotated Mild CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H](c3cc4c5c(cccc5n3)CC4)C[C@]12O ZINC000587215642 FI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](Cc4c(C)nc5cccc6c5c4CC6)[C@@H]3C[C@H]12 ZINC000587215910 FI Annotated Mild O=S(=O)(Cl)c1ccc2c(c1)-c1nc3cccc4c3c(c1CC2)CC4 ZINC000587216545 FI Annotated Unstable CC(=O)N[C@@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(C)cc1 ZINC000587216563 FI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(C)cc1 ZINC000587216564 FI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216627 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)CC4 ZINC000587216772 FI Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)CC4 ZINC000587216773 FI Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)CC4 ZINC000587216774 FI Annotated Unstable COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1SCC(=O)O ZINC000587216863 FI Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216940 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccccc1 ZINC000587217324 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccccc1 ZINC000587217326 FI Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2CCCc3c2nc2cccc4c2c3CC4)cc1 ZINC000587217360 FI Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCc3c2nc2cccc4c2c3CC4)cc1 ZINC000587217361 FI Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587217593 FI Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 ZINC000587217599 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1)c1ccccc1 ZINC000587217743 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1)c1ccccc1 ZINC000587217744 FI Annotated Anodyne CC(=O)Nc1sc(-c2cc3c4c(cccc4n2)CC3)c(C)c1C(=O)O ZINC000587217780 FI Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1 ZINC000587218146 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1 ZINC000587218148 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1 ZINC000587220417 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1 ZINC000587220419 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccccc1 ZINC000587221336 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccccc1 ZINC000587221338 FI Annotated Anodyne COc1cccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587221645 FI Annotated Anodyne COc1cccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587221646 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccccc1 ZINC000587221907 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccccc1 ZINC000587221909 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccccc1 ZINC000587221969 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccccc1 ZINC000587221970 FI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)c1ccccc1 ZINC000587222083 FI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)c1ccccc1 ZINC000587222085 FI Annotated Anodyne Cc1cc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c(C)n1 ZINC000587222437 FI Annotated Anodyne Cc1cc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c(C)n1 ZINC000587222441 FI Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587222964 FI Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587222965 FI Annotated Anodyne COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1F ZINC000587223520 FI Annotated Anodyne COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1F ZINC000587223523 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccnc(Cl)c2[nH]1)C1CCCC1 ZINC000587224109 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccnc(Cl)c2[nH]1)C1CCCC1 ZINC000587224110 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)ncc2[nH]1)C1CCCC1 ZINC000587224120 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)ncc2[nH]1)C1CCCC1 ZINC000587224121 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)C1CCCC1 ZINC000587224124 FI Annotated Mild CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)C1CCCC1 ZINC000587224125 FI Annotated Mild CC(C)(C)OC(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)C1CCCC1 ZINC000587224157 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)C1CCCC1 ZINC000587224158 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCO3)C1CCCC1 ZINC000587225419 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)C1CCCC1 ZINC000587225423 FI Annotated Anodyne COC(=O)c1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587225490 FI Annotated Anodyne COC(=O)c1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587225492 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)cnc2[nH]1)C1CCCC1 ZINC000587225844 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)cnc2[nH]1)C1CCCC1 ZINC000587225846 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)C1CCCC1 ZINC000587225855 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)C1CCCC1 ZINC000587225857 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000587226832 FI Annotated Bother CC(C)(C)OC(=O)N[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000587226833 FI Annotated Bother CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Cl)nc2[nH]1)C1CCCC1 ZINC000587227166 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Cl)nc2[nH]1)C1CCCC1 ZINC000587227167 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cncc(Cl)c2[nH]1)C1CCCC1 ZINC000587227189 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cncc(Cl)c2[nH]1)C1CCCC1 ZINC000587227190 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587227217 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587227218 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(Cl)ccnc2[nH]1)C1CCCC1 ZINC000587227229 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(Cl)ccnc2[nH]1)C1CCCC1 ZINC000587227230 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C1CCCC1 ZINC000587227493 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C1CCCC1 ZINC000587227494 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C1CCCC1 ZINC000587227495 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C1CCCC1 ZINC000587227496 FI Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587227885 FI Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587227922 FI Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587228278 FI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587228323 FI Annotated Bother CCCCCCCC(=O)NCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587228362 FI Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587228620 FI Annotated Mild CCCCCCCC(=O)NCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587228651 FI Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587228738 FI Annotated Mild COc1ccc(C)cc1NCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587228823 FI Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587228844 FI Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587228860 FI Annotated Bother COc1ccc(C)cc1NCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587229081 FI Annotated Mild O=C(O)c1cc(F)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229138 FI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cccnc3NCc3ccccc3)nc12 ZINC000587229194 FI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229204 FI Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587229228 FI Annotated Anodyne c1ccc(CNc2ncccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587229548 FI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587229572 FI Annotated Anodyne c1ccc(CNc2ncccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587229596 FI Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587229703 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587229918 FI Annotated Mild COc1cccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c12 ZINC000587230028 FI Annotated Mild Cc1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587230354 FI Annotated Bother N#Cc1cccnc1NCc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000587230443 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587230461 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000587230715 FI Annotated Mild O=C1CCc2cc3nc(-c4cccnc4NCc4ccccc4)[nH]c3cc2N1 ZINC000587230724 FI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1F ZINC000587230734 FI Annotated Bother COc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1C ZINC000587230959 FI Annotated Mild CC(=O)c1ccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2c1 ZINC000587231019 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587231051 FI Annotated Mild COc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1F ZINC000587231070 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000587231142 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587231450 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000587231570 FI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587231609 FI Annotated Mild Cc1cc2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc2c(C)n1 ZINC000587231730 FI Annotated Mild Fc1cnc(Cl)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 ZINC000587231731 FI Annotated Anodyne Cc1cnc(Cl)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 ZINC000587231977 FI Annotated Anodyne COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1F ZINC000587232007 FI Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232181 FI Annotated Mild COc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1OC ZINC000587232613 FI Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232627 FI Annotated Anodyne Cc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587232696 FI Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587232700 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587232712 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587232716 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587232728 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587232744 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587232746 FI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c1 ZINC000587232755 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587232764 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587232774 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587232812 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587232816 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587232817 FI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587232847 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587232880 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587232924 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587232932 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587232997 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587233076 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587233090 FI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(C(=O)OC)ccnc4[nH]3)c2)c1 ZINC000587233293 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587233403 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587233546 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587233549 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587233569 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587233588 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587233625 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587233634 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587233650 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587233677 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587233695 FI Annotated Anodyne CC(=O)NC1(c2nc3cc(C)c(Br)cc3[nH]2)CCC(C)CC1 ZINC000587233775 FI Annotated Anodyne CC(=O)NC1(c2nc3ccc(Br)c(C)c3[nH]2)CCC(C)CC1 ZINC000587233815 FI Annotated Anodyne CC(=O)NC1(c2nc3cc(Br)cc(C)c3[nH]2)CCC(C)CC1 ZINC000587233825 FI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4ccc(C(=O)OC)nc4[nH]3)c2)c1 ZINC000587233921 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587233922 FI Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587233982 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587233984 FI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)c1 ZINC000587233987 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587234087 FI Annotated Mild CC(=O)NC1(c2nc3cc(C)cc(Br)c3[nH]2)CCC(C)CC1 ZINC000587234108 FI Annotated Anodyne CC(=O)NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCC(C)CC1 ZINC000587234115 FI Annotated Anodyne CC(=O)NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCC(C)CC1 ZINC000587234134 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587234232 FI Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1C ZINC000587234240 FI Annotated Anodyne CC(=O)NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCC(C)CC1 ZINC000587234262 FI Annotated Anodyne C=CCc1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 ZINC000587234288 FI Annotated Mild Cc1cc(C)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 ZINC000587234307 FI Annotated Anodyne CC(=O)NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCC(C)CC1 ZINC000587234311 FI Annotated Anodyne Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1C ZINC000587234349 FI Annotated Anodyne CC(=O)NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(C)CC1 ZINC000587234359 FI Annotated Bother CC(=O)NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC(C)CC1 ZINC000587234424 FI Annotated Anodyne CC(=O)NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCC(C)CC1 ZINC000587234534 FI Annotated Anodyne CC(=O)NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCC(C)CC1 ZINC000587234542 FI Annotated Anodyne CC(=O)NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC(C)CC1 ZINC000587234573 FI Annotated Anodyne Cc1ccc(C)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 ZINC000587234805 FI Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587234838 FI Annotated Anodyne CC(=O)NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(C)CC1 ZINC000587234882 FI Annotated Bother CC(=O)NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCC(C)CC1 ZINC000587234991 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587235012 FI Annotated Anodyne COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587235049 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587235224 FI Annotated Anodyne Cc1cc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587235237 FI Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccc(Cl)cc3[nH]2)CCC(=O)CC1 ZINC000587235249 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587235396 FI Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587235774 FI Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(Cl)c3[nH]2)CCC(=O)CC1 ZINC000587235783 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587235789 FI Annotated Anodyne COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587236052 FI Annotated Anodyne Cc1ccc(NC2(c3nc4c(S)nc(S)nc4[nH]3)CCCC2)cc1 ZINC000587236663 FI Annotated Anodyne Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CCCC2)cc1 ZINC000587237274 FI Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CCCC2)cc1 ZINC000587237765 FI Annotated Anodyne Cc1ccc(NC2(c3nc4nc(Br)c[nH]c-4n3)CCCC2)cc1 ZINC000587237766 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 ZINC000587238073 FI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587238369 FI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587238391 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000587238514 FI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(Br)cc3[nH]2)c1C ZINC000587238580 FI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587238613 FI Annotated Bother Cc1cccc(NC(=O)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1C ZINC000587238873 FI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(Br)c(C)c3[nH]2)c1C ZINC000587238924 FI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(C)c3[nH]2)c1C ZINC000587238961 FI Annotated Anodyne Cc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br ZINC000587239202 FI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cccc(Br)c3[nH]2)c1C ZINC000587239226 FI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587239250 FI Annotated Bother Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000587239299 FI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587239700 FI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1C ZINC000587239775 FI Annotated Mild Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(C)nccc3[nH]2)c(O)c1 ZINC000587239909 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3Nc3ccccc3OC)nc12 ZINC000587240158 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(C)c(Br)ccc2[nH]1 ZINC000587240258 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587240309 FI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587240402 FI Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240468 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240469 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240470 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccccc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240471 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2n1 ZINC000587240580 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587240585 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587240635 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587240704 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587240721 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587240744 FI Annotated Mild Cc1c(NC(N)=O)cccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587240780 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587240859 FI Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncc(C)c3[nH]2)c(O)c1 ZINC000587240866 FI Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587240922 FI Annotated Bother CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587240936 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587240972 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(C)cc(Br)cc2[nH]1 ZINC000587240992 FI Annotated Anodyne Cc1cnc2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c1 ZINC000587241006 FI Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587241245 FI Annotated Bother CCc1ccccc1NC(=O)c1nc2c(Br)cc(C)cc2[nH]1 ZINC000587241259 FI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587241264 FI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587241343 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000587241362 FI Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587241435 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587241538 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc(Br)c(C)cc2[nH]1 ZINC000587241559 FI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587241579 FI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587241593 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587241782 FI Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587241987 FI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 ZINC000587242022 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587242061 FI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 ZINC000587242131 FI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 ZINC000587242135 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587242145 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587242193 FI Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 ZINC000587242206 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587242231 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587242248 FI Annotated Bother COc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1F ZINC000587242263 FI Annotated Anodyne Cc1cc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c(C)n1 ZINC000587242284 FI Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c1C ZINC000587242285 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587242318 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587242435 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(C#N)c3[nH]2)c1 ZINC000587242623 FI Annotated Mild O=C1COc2cc3[nH]c(-c4cccc(Nc5ccc(O)cc5)c4)nc3cc2N1 ZINC000587242741 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000587242792 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587242796 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587242832 FI Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 ZINC000587242845 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587242849 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587242852 FI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587242884 FI Annotated Bother Cc1ccc2c(ccc3nc(-c4ccc(NC(=O)C(C)(C)C)nc4)[nH]c32)n1 ZINC000587244036 FI Annotated Anodyne COC(=O)Nc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cn1 ZINC000587244155 FI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cn1 ZINC000587244654 FI Annotated Anodyne Cc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1C ZINC000587244852 FI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000587245262 FI Annotated Anodyne C=CCc1cccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c12 ZINC000587245292 FI Annotated Mild NCc1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587245575 FI Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 ZINC000587245635 FI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000587245743 FI Annotated Anodyne NCc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587245808 FI Annotated Anodyne NCc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587245862 FI Annotated Anodyne CCCOc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br ZINC000587245943 FI Annotated Anodyne NCc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587245953 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br ZINC000587246142 FI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(Cl)c3[nH]1)C2 ZINC000587246193 FI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(Cl)c3[nH]1)C2 ZINC000587246195 FI Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br ZINC000587246353 FI Annotated Anodyne CCCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br ZINC000587246408 FI Annotated Anodyne CCCCCOc1cc2nc([C@H]3CC[C@@H]3N)[nH]c2cc1Br ZINC000587246441 FI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn1 ZINC000587246547 FI Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587246741 FI Annotated Anodyne CCCCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br ZINC000587246851 FI Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587247210 FI Annotated Anodyne COc1nccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 ZINC000587247217 FI Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587247423 FI Annotated Anodyne COc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2n1 ZINC000587247449 FI Annotated Anodyne COc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cn1 ZINC000587247568 FI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)c(Cl)cc3[nH]1)C2 ZINC000587247591 FI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)c(Cl)cc3[nH]1)C2 ZINC000587247592 FI Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587247859 FI Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587247869 FI Annotated Anodyne COc1cncc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 ZINC000587247923 FI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cn1 ZINC000587247962 FI Annotated Anodyne Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1C(=O)O ZINC000587248045 FI Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587248340 FI Annotated Anodyne Nc1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1C(=O)O ZINC000587248440 FI Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587248849 FI Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587248876 FI Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587248889 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587249021 FI Annotated Bother COc1cc(C)c(N)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587249128 FI Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(N)c(C#N)c3)[nH]c2cc1Br ZINC000587249141 FI Annotated Mild COc1cc(C)c(N)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587249155 FI Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587249304 FI Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587249341 FI Annotated Anodyne Cc1ccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1N ZINC000587249453 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587249571 FI Annotated Anodyne Cc1ccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1N ZINC000587249610 FI Annotated Bother Nc1cccc(O)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587249772 FI Annotated Anodyne Nc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1CC(=O)O ZINC000587249873 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587250006 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587250143 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587250154 FI Annotated Anodyne Nc1ccccc1-c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587250157 FI Annotated Anodyne Cc1ccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1N ZINC000587250203 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587250434 FI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587250531 FI Annotated Bother Cc1ccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1N ZINC000587250628 FI Annotated Bother Cc1ccc(CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1N ZINC000587250636 FI Annotated Anodyne Cc1ccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1N ZINC000587250645 FI Annotated Anodyne Nc1cccc(O)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587250783 FI Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587250847 FI Annotated Anodyne CC(C)Oc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1Br ZINC000587250857 FI Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587250862 FI Annotated Anodyne Cc1ccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1N ZINC000587251039 FI Annotated Anodyne Cc1c(Br)ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 ZINC000587251187 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 ZINC000587251204 FI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000587251249 FI Annotated Anodyne Cc1nc2[nH]c(-c3cc(N)cc4ccccc34)nc2cc1Br ZINC000587251264 FI Annotated Anodyne Cc1cc(Br)cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 ZINC000587251401 FI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587251623 FI Annotated Bother Nc1ccc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587251624 FI Annotated Anodyne Nc1ccc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587251625 FI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587251639 FI Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587251702 FI Annotated Clean Nc1ccc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587251704 FI Annotated Clean Nc1ccc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587251793 FI Annotated Anodyne Nc1ccc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587251795 FI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587251820 FI Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)cc1 ZINC000587251915 FI Annotated Clean Nc1ccc(C(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587251937 FI Annotated Bother Nc1ccc2oc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2c1 ZINC000587251988 FI Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2c1 ZINC000587252005 FI Annotated Bother Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc2c1 ZINC000587252006 FI Annotated Anodyne Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2ccccc2c1 ZINC000587252051 FI Annotated Anodyne Cc1c(Br)cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1C ZINC000587252067 FI Annotated Anodyne Nc1ccc2oc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2c1 ZINC000587252253 FI Annotated Anodyne Nc1ccc2oc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2c1 ZINC000587252510 FI Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cc(N)cc4ccccc34)nc2c1 ZINC000587252535 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc4cc(N)ccc4o3)nc2c1 ZINC000587252558 FI Annotated Mild N=c1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c2ccccc2[nH]1 ZINC000587253161 FI Annotated Anodyne Nc1ncccc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587253272 FI Annotated Anodyne N=c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc2[nH]1 ZINC000587253294 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc2c1 ZINC000587253416 FI Annotated Anodyne N=c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc2[nH]1 ZINC000587253439 FI Annotated Anodyne N=c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2[nH]1 ZINC000587253442 FI Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4ccccc4c3N)nc2c1 ZINC000587253537 FI Annotated Anodyne CC(C)COc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br ZINC000587253551 FI Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)c[nH]1 ZINC000587254042 FI Annotated Anodyne Nc1ncccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587254054 FI Annotated Anodyne N#Cc1cc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2cc1C(F)(F)F ZINC000587254067 FI Annotated Mild N=c1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c[nH]1 ZINC000587254164 FI Annotated Anodyne N=c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc2[nH]1 ZINC000587254263 FI Annotated Anodyne N=c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc2[nH]1 ZINC000587254308 FI Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c[nH]1 ZINC000587254515 FI Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c[nH]1 ZINC000587254533 FI Annotated Anodyne Nc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc2ccccc12 ZINC000587254615 FI Annotated Anodyne CCCCOc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br ZINC000587254663 FI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c12 ZINC000587254665 FI Annotated Anodyne Cc1cc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2cc1Br ZINC000587254732 FI Annotated Anodyne Cc1nc2[nH]c(-c3ccc4ccccc4c3N)nc2cc1Br ZINC000587254733 FI Annotated Anodyne N=c1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c2ccccc2[nH]1 ZINC000587254784 FI Annotated Anodyne N=c1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c[nH]1 ZINC000587255025 FI Annotated Anodyne CCCCCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br ZINC000587255048 FI Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)c[nH]1 ZINC000587255125 FI Annotated Anodyne CC(C)CCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br ZINC000587255127 FI Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c[nH]1 ZINC000587255134 FI Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)=C1N ZINC000587255248 FI Annotated Reactive N[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CC1 ZINC000587255391 FI Annotated Anodyne CCCCCOc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br ZINC000587255398 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br ZINC000587255493 FI Annotated Anodyne NC1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587256014 FI Annotated Anodyne NC1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587256136 FI Annotated Anodyne NC1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000587256239 FI Annotated Anodyne NC1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000587256264 FI Annotated Anodyne NC1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000587256296 FI Annotated Anodyne NC1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587256407 FI Annotated Anodyne CCCOc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br ZINC000587256699 FI Annotated Anodyne CC(C)Oc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br ZINC000587256706 FI Annotated Anodyne CC(C)COc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br ZINC000587256883 FI Annotated Anodyne CCCCOc1cc2nc(C3CCC(N)CC3)[nH]c2cc1Br ZINC000587256924 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587257485 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587257519 FI Annotated Anodyne C=CC[C@@](C)(N)c1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587257541 FI Annotated Mild CC(C)(C)[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587257632 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587257650 FI Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)C(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587257815 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587257823 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587257833 FI Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br ZINC000587257933 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587257943 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587257988 FI Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587258000 FI Annotated Anodyne C=CC[C@@](C)(N)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587258002 FI Annotated Mild CCOC(=O)Cc1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 ZINC000587258317 FI Annotated Anodyne N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587258401 FI Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br ZINC000587258507 FI Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)C(C)(C)C)[nH]c3c2)cc1 ZINC000587258636 FI Annotated Anodyne N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587258668 FI Annotated Anodyne N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1cccc2ccccc12 ZINC000587258670 FI Annotated Bother N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1cccc2ccccc12 ZINC000587258756 FI Annotated Anodyne N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1cccc2ccccc12 ZINC000587258783 FI Annotated Anodyne N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1cccc2ccccc12 ZINC000587258789 FI Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1cccc2ccccc12 ZINC000587258820 FI Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1cccc2ccccc12 ZINC000587258949 FI Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1cccc2ccccc12 ZINC000587259570 FI Annotated Anodyne N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cccc2ccccc12 ZINC000587259579 FI Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1cccc2ccccc12 ZINC000587259604 FI Annotated Anodyne [N-]=[N+]=NCCCCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587259641 FI Annotated Clean [N-]=[N+]=NCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587259955 FI Annotated Clean COC(=O)CC[C@H](N)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587260419 FI Annotated Reactive COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260693 FI Annotated Bother COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260782 FI Annotated Bother COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260839 FI Annotated Bother COc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260857 FI Annotated Bother Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587260931 FI Annotated Bother COc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260967 FI Annotated Bother Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261056 FI Annotated Bother COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261078 FI Annotated Bother Cc1c(-c2nc3ccc(Br)c(F)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261088 FI Annotated Bother Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261107 FI Annotated Bother COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261117 FI Annotated Bother COc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261140 FI Annotated Bother Cc1c(-c2nc3cc(C#N)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261160 FI Annotated Mild COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(OC)c([N+](=O)[O-])c1 ZINC000587261219 FI Annotated Bother Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261221 FI Annotated Bother Cc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261232 FI Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587261471 FI Annotated Bother Cc1cc(C#Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261486 FI Annotated Mild COCCNc1ccc(-c2nc3cc(Cl)cc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261487 FI Annotated Bother Cc1cc(C#Cc2nc3cc(Br)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261496 FI Annotated Mild Cc1cc(C#Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261650 FI Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000587261726 FI Annotated Bother Cc1cc(C#Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261851 FI Annotated Mild Cc1cc(C#Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262025 FI Annotated Mild COCCNc1ccc(-c2nc3ccc(Cl)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262086 FI Annotated Bother Cc1cc(C#Cc2nc3ccc(F)c(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262143 FI Annotated Mild Cc1cc(C#Cc2nc3cc(F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262166 FI Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000587262208 FI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000587262209 FI Annotated Bother Cc1cc(C#Cc2nc3ccc(Br)c(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262319 FI Annotated Mild Cc1cc(C#Cc2nc3cc(Br)cc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262352 FI Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1 ZINC000587262409 FI Annotated Bother Cc1cc(C#Cc2nc3ccc(Br)c(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262443 FI Annotated Mild Cc1cc(C#Cc2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262445 FI Annotated Mild Cc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Br ZINC000587262450 FI Annotated Mild Cc1cc(C#Cc2nc3cc(Br)cc(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262458 FI Annotated Mild COc1cc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262541 FI Annotated Bother Cc1cc(Br)c2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000587262733 FI Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(OC(C)C)cc3[nH]2)c1 ZINC000587262864 FI Annotated Bother COc1cc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262881 FI Annotated Bother COc1cc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262919 FI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C)c2[nH]1 ZINC000587263185 FI Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C)c2[nH]1 ZINC000587263187 FI Annotated Bother COc1cc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263431 FI Annotated Bother COc1cc(OCc2nc3cccc(C(C)(C)C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263436 FI Annotated Bother COc1cc(OCc2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263638 FI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263801 FI Annotated Bother CC(C)(C)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263905 FI Annotated Bother Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C ZINC000587264080 FI Annotated Bother COCCOc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000587264117 FI Annotated Bother N#Cc1nc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587264135 FI Annotated Mild COCCNc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000587264144 FI Annotated Bother Cc1ccc(C)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 ZINC000587264169 FI Annotated Bother O=C1CCc2cc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3cc2N1 ZINC000587264218 FI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587264390 FI Annotated Bother C=CCc1cccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587264505 FI Annotated Mild CCc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264571 FI Annotated Bother COc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1OC ZINC000587264584 FI Annotated Bother CSc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264714 FI Annotated Bother Cc1cc(C)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587265144 FI Annotated Bother COCCNc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265184 FI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)o1 ZINC000587265194 FI Annotated Bother N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 ZINC000587265205 FI Annotated Bother N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 ZINC000587265207 FI Annotated Bother COCCOc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265322 FI Annotated Bother CC(C)(C)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265442 FI Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Cl)c2[nH]1 ZINC000587265456 FI Annotated Bother Cc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C ZINC000587265580 FI Annotated Bother O=C(O)c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1F ZINC000587265834 FI Annotated Bother COc1cc(OC)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 ZINC000587266128 FI Annotated Bother O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587266213 FI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)o1 ZINC000587266254 FI Annotated Bother O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1F ZINC000587266310 FI Annotated Bother N#Cc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1C#N ZINC000587266356 FI Annotated Mild C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000587266652 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587266806 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587266807 FI Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587266842 FI Annotated Bother Cc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267222 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587267530 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587267531 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587267533 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587267534 FI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268011 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587268142 FI Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587268220 FI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268223 FI Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(C)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268254 FI Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587268320 FI Annotated Bother Cc1oc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268561 FI Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587268572 FI Annotated Bother Cc1oc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268615 FI Annotated Bother CSc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587268638 FI Annotated Bother CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587268648 FI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587268743 FI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000587268765 FI Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587268831 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587268899 FI Annotated Bother CC(C)(C)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587268901 FI Annotated Bother Cc1oc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268979 FI Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587268995 FI Annotated Bother CC(C)(C)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587269135 FI Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587269254 FI Annotated Bother Cc1oc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269256 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 ZINC000587269313 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587269323 FI Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 ZINC000587269371 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 ZINC000587269472 FI Annotated Bother CC(C)(C)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587269502 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 ZINC000587269509 FI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587269525 FI Annotated Bother COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1C ZINC000587269536 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587269555 FI Annotated Bother Cc1oc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269733 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587269864 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000587269878 FI Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587269902 FI Annotated Bother N#Cc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F ZINC000587269935 FI Annotated Mild COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Cl ZINC000587270006 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587270301 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)cnc4[nH]3)c2)c1 ZINC000587270306 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 ZINC000587270316 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 ZINC000587270359 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587270389 FI Annotated Bother CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 ZINC000587270461 FI Annotated Bother N#Cc1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 ZINC000587270490 FI Annotated Mild O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 ZINC000587270597 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587270651 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(F)c(F)c4[nH]3)c2)c1 ZINC000587270681 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587270691 FI Annotated Bother Cc1c(Br)ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587270741 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587270774 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587270835 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 ZINC000587270848 FI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)cc(F)c4[nH]3)c2)c1 ZINC000587270890 FI Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587270953 FI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587270974 FI Annotated Bother COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1F ZINC000587270975 FI Annotated Bother Nc1ccc(-c2ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3c2)cc1N ZINC000587270979 FI Annotated Bother O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)cc1 ZINC000587271901 FI Annotated Bother O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc1 ZINC000587272219 FI Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1C[C@H]1c1ccccc1 ZINC000587272810 FI Annotated Anodyne CCCC[C@H](CC)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272835 FI Annotated Anodyne CCCC[C@@H](CC)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272837 FI Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587272872 FI Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587273078 FI Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587273079 FI Annotated Bother CCCC(CCC)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273085 FI Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587273142 FI Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000587273209 FI Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 ZINC000587273450 FI Annotated Bother CC[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 ZINC000587273535 FI Annotated Anodyne CC[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 ZINC000587273537 FI Annotated Anodyne O=C(CCC1CCCC1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273601 FI Annotated Anodyne Cc1cc(C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 ZINC000587273641 FI Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587273753 FI Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587273754 FI Annotated Bother Cc1ccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 ZINC000587274355 FI Annotated Anodyne Cc1ccc(C)c(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587274392 FI Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)n1 ZINC000587274393 FI Annotated Bother CC(C)(C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 ZINC000587274397 FI Annotated Anodyne O=C(CC1CCCCC1)c1c(CO)oc2cc(Br)cnc12 ZINC000587274462 FI Annotated Anodyne C[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 ZINC000587274504 FI Annotated Anodyne C[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccccc1 ZINC000587274506 FI Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587274957 FI Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587274958 FI Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587274995 FI Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587274997 FI Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587275161 FI Annotated Bother Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2n1 ZINC000587275225 FI Annotated Clean Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2n1 ZINC000587275226 FI Annotated Clean Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2n1 ZINC000587275227 FI Annotated Clean Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2n1 ZINC000587275228 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275231 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275232 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275233 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275234 FI Annotated Clean Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 ZINC000587275413 FI Annotated Clean Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587275414 FI Annotated Clean Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 ZINC000587275415 FI Annotated Clean Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 ZINC000587275416 FI Annotated Clean CC[C@@H](C(=O)c1coc2ccc(Cl)cc12)N1C(=O)c2ccccc2C1=O ZINC000587275499 FI Annotated Anodyne CC[C@H](C(=O)c1coc2ccc(Cl)cc12)N1C(=O)c2ccccc2C1=O ZINC000587275501 FI Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275615 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275619 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275621 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275622 FI Annotated Clean CCn1ncc(Br)c1C(=O)c1coc2ccc(Cl)cc12 ZINC000587275684 FI Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275717 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275719 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275720 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275721 FI Annotated Clean C[C@@H](Cl)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275781 FI Annotated Reactive C[C@H](Cl)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275785 FI Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C#N)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275797 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C#N)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275804 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C#N)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275805 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C#N)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275809 FI Annotated Mild O=C(c1coc2ccccc12)c1c(CO)oc2cc(Br)cnc12 ZINC000587275916 FI Annotated Anodyne CCCc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276279 FI Annotated Anodyne O=C(c1coc2ccc(Cl)cc12)[C@H](Br)CBr ZINC000587276422 FI Annotated Reactive O=C(c1coc2ccc(Cl)cc12)[C@@H](Br)CBr ZINC000587276423 FI Annotated Reactive O=C(c1c(CO)oc2cc(Br)cnc12)C1CCC(F)(F)CC1 ZINC000587276613 FI Annotated Anodyne CC(C)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276915 FI Annotated Anodyne O=C(c1sccc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276924 FI Annotated Anodyne O=C(c1ccc(Cl)s1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276985 FI Annotated Anodyne O=C(CCCCCCl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276993 FI Annotated Reactive O=C(CCCN1C(=O)c2ccccc2C1=O)c1coc2ccc(Cl)cc12 ZINC000587277028 FI Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)C1CCCCCC1 ZINC000587277065 FI Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C#N)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277128 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C#N)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277129 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C#N)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277130 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C#N)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277131 FI Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277144 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277145 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277146 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277147 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277392 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277393 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277394 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277395 FI Annotated Clean N#Cc1ccc2c(C(=O)c3cccc(I)c3)coc2c1 ZINC000587277628 FI Annotated Mild N#Cc1ccc2c(C(=O)COc3ccc(OC(F)(F)F)cc3)coc2c1 ZINC000587277629 FI Annotated Mild C[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277644 FI Annotated Bother C[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277646 FI Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277653 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277654 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277656 FI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277657 FI Annotated Clean N#Cc1ccc2c(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)coc2c1 ZINC000587277710 FI Annotated Mild N#Cc1ccc2c(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)coc2c1 ZINC000587277711 FI Annotated Mild Cc1cncc(Oc2ccc(C(=O)c3coc4cc(C#N)ccc34)cc2)n1 ZINC000587277940 FI Annotated Mild Cc1ccc(S(=O)(=O)CCCC(=O)c2coc3cc(C#N)ccc23)cc1 ZINC000587277955 FI Annotated Mild O=C(c1coc2ccc(Cl)cc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587277964 FI Annotated Anodyne O=C(c1coc2ccc(Cl)cc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587277966 FI Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc(C(=O)Cl)cc(C(=O)Cl)c3)coc2c1 ZINC000587278067 FI Annotated Reactive N#Cc1ccc2c(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])coc2c1 ZINC000587278239 FI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(I)cc3)coc2c1 ZINC000587278255 FI Annotated Mild N#Cc1ccc2c(C(=O)c3ccccc3I)coc2c1 ZINC000587278327 FI Annotated Mild N#Cc1ccc2c(C(=O)Cc3c(F)c(F)c(F)c(F)c3F)coc2c1 ZINC000587278335 FI Annotated Mild COc1cc(Br)ccc1C(=O)c1coc2cc(C#N)ccc12 ZINC000587278384 FI Annotated Mild Cc1c(C(=O)c2coc3ccc(Cl)cc23)nnn1Cc1ccccc1 ZINC000587278487 FI Annotated Anodyne COc1cccc(N2C[C@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)c1 ZINC000587278717 FI Annotated Anodyne O=C(c1cccc(S(=O)(=O)Cl)c1)c1coc2ccc(Cl)cc12 ZINC000587278722 FI Annotated Unstable COc1cccc(N2C[C@@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)c1 ZINC000587278723 FI Annotated Anodyne COc1ccc(N2C[C@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)cc1 ZINC000587279156 FI Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)cc1 ZINC000587279158 FI Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc([N+](=O)[O-])ccc3Br)coc2c1 ZINC000587279202 FI Annotated Mild N#Cc1ccc2c(C(=O)[C@H](Br)CCBr)coc2c1 ZINC000587279234 FI Annotated Reactive N#Cc1ccc2c(C(=O)[C@@H](Br)CCBr)coc2c1 ZINC000587279239 FI Annotated Reactive COc1ccc(Br)c(C(=O)c2coc3cc(C#N)ccc23)c1 ZINC000587279271 FI Annotated Mild O=C(CCS(=O)(=O)c1ccc(F)cc1)c1coc2ccc(Cl)cc12 ZINC000587279286 FI Annotated Anodyne CCOC(=O)Oc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587279291 FI Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(c2ccccc2)CCOCC1 ZINC000587279570 FI Annotated Bother CCOc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1OCC ZINC000587279602 FI Annotated Bother CSc1nc(Cl)c(C(=O)c2coc3cc(C#N)ccc23)c(Cl)n1 ZINC000587279735 FI Annotated Mild CCOc1cc(OCC)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 ZINC000587279770 FI Annotated Bother CC(C)n1nc(C(F)(F)F)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279802 FI Annotated Bother O=C(c1ccsc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279823 FI Annotated Bother O=C(c1cc(F)cc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279831 FI Annotated Bother O=C(CS[C@@H](Cl)C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279832 FI Annotated Reactive O=C(CS[C@H](Cl)C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279833 FI Annotated Reactive COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1OC(F)F ZINC000587279848 FI Annotated Bother O=C(c1ccccc1OC(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279856 FI Annotated Bother O=C(c1ccc(Br)s1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279868 FI Annotated Bother Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cnn1-c1ccc(F)cc1 ZINC000587279987 FI Annotated Bother O=C(c1cc(F)ccc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280021 FI Annotated Bother COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1OC(C)C ZINC000587280065 FI Annotated Bother O=C(c1ccc(Br)cc1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280078 FI Annotated Bother O=C(c1cccc(Br)c1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280085 FI Annotated Bother O=C(c1cccc(OC(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280107 FI Annotated Bother O=C(c1cc(Br)cs1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280108 FI Annotated Bother O=C(Cc1c(F)c(F)c(F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280157 FI Annotated Bother Cc1nc(C(F)(F)F)ccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280163 FI Annotated Bother O=C(c1cc(Br)ccc1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280165 FI Annotated Bother O=C(c1ccc(Br)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280190 FI Annotated Bother O=C(Cn1nc(C2CC2)cc1C(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280193 FI Annotated Bother O=C(c1ccc(F)cc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280263 FI Annotated Bother O=C(c1ccc(C(=O)C(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280296 FI Annotated Bother Cc1nc(C(F)(F)F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)s1 ZINC000587280301 FI Annotated Bother O=C(c1c(F)cccc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280324 FI Annotated Bother O=C(c1cc(F)c(Cl)nc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280354 FI Annotated Bother O=C(c1ccc(F)c(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280419 FI Annotated Bother O=C(c1ccc(OC(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280448 FI Annotated Bother C[C@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1ccc(C(F)(F)F)n1 ZINC000587280480 FI Annotated Bother C[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1ccc(C(F)(F)F)n1 ZINC000587280482 FI Annotated Bother O=C(c1cccc(F)c1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280500 FI Annotated Bother CSc1nsc(SC)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280590 FI Annotated Bother O=C(c1cscc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280595 FI Annotated Bother Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)c2coc3ccccc23)cc1 ZINC000587280695 FI Annotated Bother O=C(c1ccc(-c2csnn2)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280701 FI Annotated Bother O=C1c2ccccc2C(=O)c2cc(C(=O)c3coc4ccccc34)ccc21 ZINC000587280799 FI Annotated Clean O=C(c1cc(I)ccc1F)c1coc2ccccc12 ZINC000587281012 FI Annotated Anodyne O=C(c1c(F)cccc1I)c1coc2ccccc12 ZINC000587281021 FI Annotated Anodyne CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1coc2ccccc12 ZINC000587281062 FI Annotated Anodyne O=C(c1cc2n(n1)C(C(F)F)=CC(=C1CC1)N2)c1coc2ccccc12 ZINC000587281075 FI Annotated Anodyne O=C1c2ccc(O)cc2OC(CCl)(CCl)[C@H]1c1ccc(F)cc1 ZINC000587325169 FI Annotated Reactive O=C1c2ccc(O)cc2OC(CCl)(CCl)[C@@H]1c1ccc(F)cc1 ZINC000587325170 FI Annotated Reactive C[C@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325327 FI Annotated Reactive C[C@@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325329 FI Annotated Reactive C[C@@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325331 FI Annotated Reactive C[C@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325332 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587326585 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587326590 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587326593 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587326595 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(CCCl)[C@@H]1c1ccc(F)cc1 ZINC000587327370 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(CCCl)[C@H]1c1ccc(F)cc1 ZINC000587327371 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(CCCl)[C@@H]1c1ccc(F)cc1 ZINC000587327372 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(CCCl)[C@H]1c1ccc(F)cc1 ZINC000587327373 FI Annotated Reactive C[C@@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328471 FI Annotated Anodyne C[C@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328472 FI Annotated Anodyne C[C@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328473 FI Annotated Anodyne C[C@@]1(c2ncccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328474 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2cocn2)[C@H]1c1ccc(F)cc1 ZINC000587329306 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cocn2)[C@@H]1c1ccc(F)cc1 ZINC000587329307 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cocn2)[C@@H]1c1ccc(F)cc1 ZINC000587329309 FI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2cocn2)[C@H]1c1ccc(F)cc1 ZINC000587329310 FI Annotated Reactive CN(C)CCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331117 FI Annotated Anodyne CN(C)CCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331124 FI Annotated Anodyne CN(C)CCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331125 FI Annotated Anodyne CN(C)CCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331127 FI Annotated Anodyne C[C@@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331843 FI Annotated Anodyne C[C@@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331845 FI Annotated Anodyne C[C@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331849 FI Annotated Anodyne C[C@]1(c2ccnc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331850 FI Annotated Anodyne CC(C)N(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332214 FI Annotated Anodyne CC(C)N(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332218 FI Annotated Anodyne CC(C)N(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332219 FI Annotated Anodyne CC(C)N(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332221 FI Annotated Anodyne N#CC[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332786 FI Annotated Mild N#CC[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332793 FI Annotated Mild N#CC[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332797 FI Annotated Mild N#CC[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332800 FI Annotated Mild C[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332909 FI Annotated Anodyne C[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332912 FI Annotated Anodyne C[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332915 FI Annotated Anodyne C[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332918 FI Annotated Anodyne N#CC[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333310 FI Annotated Mild N#CC[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333314 FI Annotated Mild N#CC[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333315 FI Annotated Mild N#CC[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333317 FI Annotated Mild C[C@@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333600 FI Annotated Anodyne C[C@@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333604 FI Annotated Anodyne C[C@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333608 FI Annotated Anodyne C[C@]1(c2ccncc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333611 FI Annotated Anodyne CCO/C=C(\C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333704 FI Annotated Reactive CCO/C=C(\C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333707 FI Annotated Reactive CCO/C=C(\C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333710 FI Annotated Reactive CCO/C=C(\C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333713 FI Annotated Reactive Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587334011 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587334013 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587334014 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587334015 FI Annotated Anodyne C[C@@H]1C[C@@H]1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334316 FI Annotated Mild C[C@@H]1C[C@@H]1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334339 FI Annotated Mild C[C@@H]1C[C@@H]1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334341 FI Annotated Mild C[C@@H]1C[C@@H]1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334343 FI Annotated Mild C[C@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334482 FI Annotated Anodyne C[C@@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334486 FI Annotated Anodyne C[C@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334487 FI Annotated Anodyne C[C@@]1(Cc2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334489 FI Annotated Anodyne N#C[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334919 FI Annotated Mild N#C[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334921 FI Annotated Mild N#C[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334924 FI Annotated Mild N#C[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334926 FI Annotated Mild C[C@@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335578 FI Annotated Anodyne C[C@@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335579 FI Annotated Anodyne C[C@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335580 FI Annotated Anodyne C[C@]1(c2ccc(F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335582 FI Annotated Anodyne C[C@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335732 FI Annotated Anodyne C[C@@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335738 FI Annotated Anodyne C[C@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335739 FI Annotated Anodyne C[C@@]1(c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335744 FI Annotated Anodyne C[C@@]1(c2ccc(C#N)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336112 FI Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(CCCn3cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587336115 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCn3cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587336116 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCn3cccc32)[C@H]1c1ccc(F)cc1 ZINC000587336117 FI Annotated Anodyne C[C@@]1(c2ccc(C#N)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336118 FI Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCCn3cccc32)[C@H]1c1ccc(F)cc1 ZINC000587336119 FI Annotated Anodyne C[C@]1(c2ccc(C#N)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336120 FI Annotated Mild C[C@]1(c2ccc(C#N)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336122 FI Annotated Mild CCN(CC)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337308 FI Annotated Anodyne CCN(CC)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337310 FI Annotated Anodyne CCN(CC)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337311 FI Annotated Anodyne CCN(CC)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337312 FI Annotated Anodyne CC[C@]1([C@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337379 FI Annotated Anodyne CC[C@]1([C@@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337381 FI Annotated Anodyne CC[C@]1([C@@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337382 FI Annotated Anodyne CC[C@]1([C@H](C)CN(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337384 FI Annotated Anodyne CC1(C)[C@H](C#N)[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337673 FI Annotated Mild CC1(C)[C@H](C#N)[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337683 FI Annotated Mild CC1(C)[C@H](C#N)[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337685 FI Annotated Mild CC1(C)[C@H](C#N)[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337687 FI Annotated Mild C[C@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338043 FI Annotated Anodyne C[C@@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338046 FI Annotated Anodyne C[C@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338050 FI Annotated Anodyne C[C@@]1(c2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338054 FI Annotated Anodyne N#CC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338425 FI Annotated Mild N#CC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338428 FI Annotated Mild N#CC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338430 FI Annotated Mild N#CC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338433 FI Annotated Mild CN(C)/C=C/[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338521 FI Annotated Anodyne CN(C)/C=C/[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338532 FI Annotated Anodyne CN(C)/C=C/[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338534 FI Annotated Anodyne CN(C)/C=C/[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338537 FI Annotated Anodyne N#CC[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338621 FI Annotated Mild N#CC[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338622 FI Annotated Mild N#CC[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338624 FI Annotated Mild N#CC[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338627 FI Annotated Mild N#CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338852 FI Annotated Mild N#CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338853 FI Annotated Mild N#CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338854 FI Annotated Mild N#CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338855 FI Annotated Mild C[C@H](C#N)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339243 FI Annotated Mild C[C@H](C#N)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339245 FI Annotated Mild C[C@H](C#N)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339248 FI Annotated Mild C[C@H](C#N)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339251 FI Annotated Mild N#CC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339526 FI Annotated Mild N#CC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339528 FI Annotated Mild N#CC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339530 FI Annotated Mild N#CC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339534 FI Annotated Mild CN(C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339649 FI Annotated Anodyne CN(C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339654 FI Annotated Anodyne C[C@@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339678 FI Annotated Anodyne C[C@@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339683 FI Annotated Anodyne C[C@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339687 FI Annotated Anodyne C[C@]1(c2ccc(F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339690 FI Annotated Anodyne C[C@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339965 FI Annotated Anodyne C[C@@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339966 FI Annotated Anodyne C[C@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339967 FI Annotated Anodyne C[C@@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339968 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)co1 ZINC000587340496 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)co1 ZINC000587340504 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)co1 ZINC000587340509 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)co1 ZINC000587340516 FI Annotated Anodyne C[C@@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340688 FI Annotated Anodyne C[C@@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340694 FI Annotated Anodyne C[C@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340695 FI Annotated Anodyne C[C@]1(c2cncc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340699 FI Annotated Anodyne C[C@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340783 FI Annotated Anodyne C[C@@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340786 FI Annotated Anodyne C[C@@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340788 FI Annotated Anodyne C[C@]1(c2cccnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340791 FI Annotated Anodyne CC(C)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341184 FI Annotated Anodyne CC(C)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341187 FI Annotated Anodyne CC(C)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341189 FI Annotated Anodyne CC(C)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341191 FI Annotated Anodyne N#CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341477 FI Annotated Mild N#CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341480 FI Annotated Mild N#C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341562 FI Annotated Mild N#C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341564 FI Annotated Mild N#C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341567 FI Annotated Mild N#C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341568 FI Annotated Mild Cc1coc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341714 FI Annotated Anodyne Cc1coc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341716 FI Annotated Anodyne Cc1coc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341718 FI Annotated Anodyne Cc1coc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341719 FI Annotated Anodyne Cn1cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342509 FI Annotated Anodyne Cn1cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342512 FI Annotated Anodyne Cn1cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342513 FI Annotated Anodyne Cn1cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342515 FI Annotated Anodyne CCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342949 FI Annotated Anodyne CCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342951 FI Annotated Anodyne CCN1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343003 FI Annotated Anodyne CCN1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343004 FI Annotated Anodyne CCN1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343005 FI Annotated Anodyne CCN1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343006 FI Annotated Anodyne CCn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587343466 FI Annotated Anodyne CCn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587343468 FI Annotated Anodyne CCn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587343469 FI Annotated Anodyne CCn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587343471 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 ZINC000587343560 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 ZINC000587343561 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 ZINC000587343562 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 ZINC000587343563 FI Annotated Anodyne CCn1nccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343685 FI Annotated Anodyne CCn1nccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343687 FI Annotated Anodyne CCn1nccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343689 FI Annotated Anodyne CCn1nccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343690 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ncccc32)[C@@H]1c1ccc(F)cc1 ZINC000587343851 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ncccc32)[C@@H]1c1ccc(F)cc1 ZINC000587343854 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ncccc32)[C@H]1c1ccc(F)cc1 ZINC000587343856 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ncccc32)[C@H]1c1ccc(F)cc1 ZINC000587343858 FI Annotated Anodyne CC(C)OCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344013 FI Annotated Anodyne CC(C)OCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344015 FI Annotated Anodyne CC(C)OCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344017 FI Annotated Anodyne CC(C)OCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344019 FI Annotated Anodyne CC(C)N1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344321 FI Annotated Anodyne CC(C)N1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344322 FI Annotated Anodyne CC(C)N1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344323 FI Annotated Anodyne CC(C)N1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344324 FI Annotated Anodyne C[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344500 FI Annotated Anodyne C[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344502 FI Annotated Anodyne C[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344504 FI Annotated Anodyne C[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344507 FI Annotated Anodyne COC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344521 FI Annotated Anodyne COC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344526 FI Annotated Anodyne COC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344527 FI Annotated Anodyne COC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344530 FI Annotated Anodyne CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587344738 FI Annotated Anodyne CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587344739 FI Annotated Anodyne CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587344740 FI Annotated Anodyne CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587344741 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cnccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344863 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cnccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344865 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cnccc32)[C@H]1c1ccc(F)cc1 ZINC000587344868 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cnccc32)[C@H]1c1ccc(F)cc1 ZINC000587344871 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc[nH]c32)[C@@H]1c1ccc(F)cc1 ZINC000587344930 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc[nH]c32)[C@@H]1c1ccc(F)cc1 ZINC000587344933 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3cc[nH]c32)[C@H]1c1ccc(F)cc1 ZINC000587344936 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc[nH]c32)[C@H]1c1ccc(F)cc1 ZINC000587344938 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344941 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587344945 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]ccc32)[C@H]1c1ccc(F)cc1 ZINC000587344948 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]ccc32)[C@H]1c1ccc(F)cc1 ZINC000587344952 FI Annotated Anodyne Cn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587345193 FI Annotated Anodyne Cn1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587345195 FI Annotated Anodyne Cn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587345196 FI Annotated Anodyne Cn1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587345197 FI Annotated Anodyne Cc1oncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346312 FI Annotated Anodyne Cc1oncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346313 FI Annotated Anodyne Cc1oncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346315 FI Annotated Anodyne Cc1oncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346317 FI Annotated Anodyne CC[C@]1([C@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346324 FI Annotated Anodyne CC[C@]1([C@@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346326 FI Annotated Anodyne CC[C@]1([C@@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346328 FI Annotated Anodyne CC[C@]1([C@H]2CCCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346329 FI Annotated Anodyne Cc1n[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346344 FI Annotated Anodyne Cc1n[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346347 FI Annotated Anodyne Cc1n[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346348 FI Annotated Anodyne Cc1n[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346350 FI Annotated Anodyne CCOC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346456 FI Annotated Anodyne CCOC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346462 FI Annotated Anodyne CCOC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346463 FI Annotated Anodyne CCOC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346465 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587346853 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587346856 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cccnc32)[C@H]1c1ccc(F)cc1 ZINC000587346859 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cccnc32)[C@H]1c1ccc(F)cc1 ZINC000587346860 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587347433 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587347438 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587347440 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587347441 FI Annotated Anodyne CC(C)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347729 FI Annotated Anodyne CC(C)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347730 FI Annotated Anodyne C#C[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347912 FI Annotated Mild C#C[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347917 FI Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347919 FI Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347921 FI Annotated Mild O=C1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587348564 FI Annotated Anodyne O=C1C[C@@H]2C[C@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587348577 FI Annotated Anodyne O=C1C[C@@H]2C[C@@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587348579 FI Annotated Anodyne O=C1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587348583 FI Annotated Anodyne O=C1C[C@@H]2C[C@@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587348586 FI Annotated Anodyne O=C1C[C@@H]2C[C@]3(C[C@@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587348588 FI Annotated Anodyne C[C@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348862 FI Annotated Anodyne C[C@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348871 FI Annotated Anodyne C[C@@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348873 FI Annotated Anodyne C[C@@]1(C2(O)CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348878 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)no1 ZINC000587348917 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)no1 ZINC000587348924 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)no1 ZINC000587348926 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)no1 ZINC000587348932 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CC[C@@H]2CC3=O)[C@@H]1c1ccc(F)cc1 ZINC000587349192 FI Annotated Anodyne O=C1C[C@@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349195 FI Annotated Anodyne O=C1C[C@@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349200 FI Annotated Anodyne O=C1C[C@@H]2CC[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349201 FI Annotated Anodyne O=C1C[C@H]2CC[C@@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349203 FI Annotated Anodyne O=C1C[C@@H]2CC[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349204 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CC[C@@H]2CC3=O)[C@@H]1c1ccc(F)cc1 ZINC000587349207 FI Annotated Anodyne O=C1C[C@H]2CC[C@@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349210 FI Annotated Anodyne COC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349329 FI Annotated Anodyne COC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349334 FI Annotated Anodyne COC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349336 FI Annotated Anodyne COC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349343 FI Annotated Anodyne CCCC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349582 FI Annotated Anodyne CCCC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349584 FI Annotated Anodyne CCCC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349589 FI Annotated Anodyne CCCC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349595 FI Annotated Anodyne COC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349608 FI Annotated Anodyne COC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349614 FI Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349780 FI Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349784 FI Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349789 FI Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349794 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587349847 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587349848 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587349849 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCCC[C@@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587349850 FI Annotated Anodyne C[C@@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350396 FI Annotated Anodyne C[C@@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350401 FI Annotated Anodyne C[C@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350403 FI Annotated Anodyne C[C@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350407 FI Annotated Anodyne N#CC[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350816 FI Annotated Mild N#CC[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350824 FI Annotated Mild N#CC[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350826 FI Annotated Mild N#CC[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350829 FI Annotated Mild COCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350838 FI Annotated Anodyne COCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350841 FI Annotated Anodyne COCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350842 FI Annotated Anodyne COCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350847 FI Annotated Anodyne COCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350912 FI Annotated Anodyne COCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350916 FI Annotated Anodyne COCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350922 FI Annotated Anodyne COCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350925 FI Annotated Anodyne CC(C)(C)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350977 FI Annotated Anodyne CC(C)(C)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350980 FI Annotated Anodyne CC(C)(C)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350982 FI Annotated Anodyne CC(C)(C)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350989 FI Annotated Anodyne C[C@]1(C[C@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351212 FI Annotated Anodyne C[C@]1(C[C@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351213 FI Annotated Anodyne C[C@]1(C[C@@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351214 FI Annotated Anodyne C[C@]1(C[C@@H]2CCCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351215 FI Annotated Anodyne Cc1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351244 FI Annotated Anodyne Cc1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351245 FI Annotated Anodyne Cc1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351246 FI Annotated Anodyne Cc1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351247 FI Annotated Anodyne C#C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351407 FI Annotated Mild C#C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351420 FI Annotated Mild C#C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351423 FI Annotated Mild C#C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351430 FI Annotated Mild O=C1c2ccc(O)cc2OC2(Cc3ccccc3C2)[C@H]1c1ccc(F)cc1 ZINC000587351584 FI Annotated Anodyne O=C1c2ccc(O)cc2OC2(Cc3ccccc3C2)[C@@H]1c1ccc(F)cc1 ZINC000587351587 FI Annotated Anodyne O=CCCC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351967 FI Annotated Mild O=CCCC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351971 FI Annotated Mild O=CCCC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351977 FI Annotated Mild O=CCCC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351980 FI Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2OC2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587352492 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2OC2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587352493 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2OC2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587352495 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2OC2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587352497 FI Annotated Anodyne CC1(C)C[C@]2(CC[C@H]1O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352633 FI Annotated Anodyne CC1(C)C[C@]2(CC[C@@H]1O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352636 FI Annotated Anodyne CC1(C)C[C@]2(CC[C@@H]1O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352638 FI Annotated Anodyne CC1(C)C[C@]2(CC[C@H]1O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352640 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2CCO)[C@@H]1c1ccc(F)cc1 ZINC000587352656 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2CCO)[C@H]1c1ccc(F)cc1 ZINC000587352658 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2CCO)[C@H]1c1ccc(F)cc1 ZINC000587352659 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2CCO)[C@@H]1c1ccc(F)cc1 ZINC000587352661 FI Annotated Anodyne COC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352790 FI Annotated Anodyne COC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352791 FI Annotated Anodyne COC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352792 FI Annotated Anodyne COC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352793 FI Annotated Anodyne CC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352870 FI Annotated Anodyne CC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352871 FI Annotated Anodyne CC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352872 FI Annotated Anodyne CC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352873 FI Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352997 FI Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352999 FI Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353001 FI Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353003 FI Annotated Anodyne CC(C)CC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353068 FI Annotated Anodyne CC(C)CC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353070 FI Annotated Anodyne CC(C)CC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353071 FI Annotated Anodyne CC(C)CC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353073 FI Annotated Anodyne CC[C@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353447 FI Annotated Anodyne CC[C@@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353448 FI Annotated Anodyne CC[C@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353449 FI Annotated Anodyne CC[C@@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353450 FI Annotated Anodyne CCOC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353500 FI Annotated Anodyne CCOC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353507 FI Annotated Anodyne CCOC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353511 FI Annotated Anodyne CCOC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353513 FI Annotated Anodyne C=C(C)CO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353529 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353531 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353535 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353538 FI Annotated Mild COC[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353643 FI Annotated Anodyne COC[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353645 FI Annotated Anodyne COC[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353647 FI Annotated Anodyne COC[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353649 FI Annotated Anodyne CO[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587353659 FI Annotated Anodyne CO[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587353663 FI Annotated Anodyne CO[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587353668 FI Annotated Anodyne CO[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587353671 FI Annotated Anodyne C[C@@H]1CCC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587353837 FI Annotated Anodyne C[C@@H]1CCC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587353838 FI Annotated Anodyne C[C@@H]1CCC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587353840 FI Annotated Anodyne C[C@@H]1CCC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587353841 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587354548 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587354550 FI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587354553 FI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587354554 FI Annotated Anodyne CCCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354677 FI Annotated Anodyne CCCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354678 FI Annotated Anodyne CCCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354679 FI Annotated Anodyne CCCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354680 FI Annotated Anodyne CCCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354681 FI Annotated Anodyne CCCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354682 FI Annotated Anodyne C#CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354743 FI Annotated Mild C#CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354745 FI Annotated Mild CCCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354773 FI Annotated Anodyne CCCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354776 FI Annotated Anodyne C=CCCO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354990 FI Annotated Mild C=CCCO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354993 FI Annotated Mild C=CCCO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354995 FI Annotated Mild C=CCCO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354998 FI Annotated Mild C[C@@H]1CCCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355083 FI Annotated Anodyne C[C@@H]1CCCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355084 FI Annotated Anodyne C[C@@H]1CCCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355085 FI Annotated Anodyne C[C@@H]1CCCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355086 FI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CCOCC3)C2)[C@H]1c1ccc(F)cc1 ZINC000587355538 FI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CCOCC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587355541 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC23CCOCC3)[C@@H]1c1ccc(F)cc1 ZINC000587355693 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC23CCOCC3)[C@@H]1c1ccc(F)cc1 ZINC000587355695 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC23CCOCC3)[C@H]1c1ccc(F)cc1 ZINC000587355697 FI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC23CCOCC3)[C@H]1c1ccc(F)cc1 ZINC000587355699 FI Annotated Anodyne C[C@]1(C[C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356413 FI Annotated Anodyne C[C@]1(C[C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356414 FI Annotated Anodyne C[C@]1(C[C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356416 FI Annotated Anodyne C[C@]1(C[C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356418 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587356544 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587356547 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356554 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356555 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356556 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356557 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587356641 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587356642 FI Annotated Anodyne CC[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587356786 FI Annotated Anodyne CC[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587356787 FI Annotated Anodyne CC[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587356788 FI Annotated Anodyne CC[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587356790 FI Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357004 FI Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357005 FI Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357006 FI Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357007 FI Annotated Anodyne CCO[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357061 FI Annotated Anodyne CCO[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357062 FI Annotated Anodyne CCO[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357063 FI Annotated Anodyne CCO[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357064 FI Annotated Anodyne CO[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357103 FI Annotated Anodyne CO[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357104 FI Annotated Anodyne CO[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357106 FI Annotated Anodyne CO[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357108 FI Annotated Anodyne CC[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357373 FI Annotated Anodyne CC[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357374 FI Annotated Anodyne CC[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357376 FI Annotated Anodyne CC[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357377 FI Annotated Anodyne C[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCO1 ZINC000587357629 FI Annotated Anodyne C[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCO1 ZINC000587357630 FI Annotated Anodyne C[C@]1([C@@]2(C)CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357632 FI Annotated Anodyne C[C@]1([C@@]2(C)CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357633 FI Annotated Anodyne CC(C)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357925 FI Annotated Anodyne CC(C)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357926 FI Annotated Anodyne CC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357997 FI Annotated Anodyne CC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357999 FI Annotated Anodyne CC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358000 FI Annotated Anodyne CC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358002 FI Annotated Anodyne Cc1ccc(C(=O)Cc2c(CCC(=O)O)nc3cccc4c3c2CC4)s1 ZINC000587358054 FI Annotated Anodyne C[C@]1(C[C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358066 FI Annotated Anodyne C[C@]1(C[C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358070 FI Annotated Anodyne C[C@]1(C[C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358075 FI Annotated Anodyne C[C@]1(C[C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358081 FI Annotated Anodyne CC1(C)C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358540 FI Annotated Anodyne CC1(C)C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358541 FI Annotated Anodyne CC1(C)C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358542 FI Annotated Anodyne CC1(C)C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358545 FI Annotated Anodyne Cc1ccc(C(=O)CCc2nc3cccc4c3c(c2CC(=O)O)CC4)s1 ZINC000587359018 FI Annotated Anodyne CC(C)O[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359051 FI Annotated Anodyne CC(C)O[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359053 FI Annotated Anodyne CC(C)O[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359060 FI Annotated Anodyne CC(C)O[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359062 FI Annotated Anodyne C[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359263 FI Annotated Anodyne C[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359264 FI Annotated Anodyne C[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359268 FI Annotated Anodyne C[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359275 FI Annotated Anodyne CC1(C)[C@H]2OCC[C@H]2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359407 FI Annotated Anodyne CC1(C)[C@H]2OCC[C@H]2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359414 FI Annotated Anodyne CC1(C)[C@H]2OCC[C@H]2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359418 FI Annotated Anodyne CC1(C)[C@H]2OCC[C@H]2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359421 FI Annotated Anodyne Cc1ccc(-c2nc3cccc4c3c(c2CC(=O)CCC(=O)O)CC4)s1 ZINC000587359589 FI Annotated Anodyne COc1cccc(-c2cc(CN(C)CCO)nc3c2oc2ccccc23)c1 ZINC000587360192 FI Annotated Anodyne COc1cccc(-c2cc(CC(=O)N(C)C)nc3c2oc2ccccc23)c1 ZINC000587360223 FI Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360456 FI Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360458 FI Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360459 FI Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360461 FI Annotated Anodyne C[C@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360489 FI Annotated Anodyne C[C@@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360490 FI Annotated Anodyne C[C@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360628 FI Annotated Anodyne C[C@@]1(CC2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360629 FI Annotated Anodyne C[C@]1([C@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361035 FI Annotated Anodyne C[C@]1([C@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361037 FI Annotated Anodyne C[C@]1([C@@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361038 FI Annotated Anodyne C[C@]1([C@@H]2CCCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361040 FI Annotated Anodyne O=C(O)Cc1c(-c2ccc(Br)s2)nc2cccc3c2c1CC3 ZINC000587361046 FI Annotated Anodyne COc1cccc(-c2cc(C(=O)N(C)OC)nc3c2oc2ccccc23)c1 ZINC000587361330 FI Annotated Anodyne CCC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 ZINC000587361472 FI Annotated Anodyne CCC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 ZINC000587361474 FI Annotated Anodyne CCC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 ZINC000587361476 FI Annotated Anodyne CCC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 ZINC000587361478 FI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CC2)COC3)[C@H]1c1ccc(F)cc1 ZINC000587361624 FI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CC2)COC3)[C@@H]1c1ccc(F)cc1 ZINC000587361625 FI Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361812 FI Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587361813 FI Annotated Anodyne COCC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362390 FI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(N)=O)C3)c1 ZINC000587362710 FI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C(N)=O)C3)c1 ZINC000587362711 FI Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c(=O)cn3)nc3c2oc2ccccc23)c1 ZINC000587362904 FI Annotated Anodyne COc1cccc(-c2cc(-c3ncnn3C)nc3c2oc2ccccc23)c1 ZINC000587363314 FI Annotated Anodyne COc1cccc(-c2cc(CCn3cncn3)nc3c2oc2ccccc23)c1 ZINC000587363391 FI Annotated Anodyne COc1cccc(-c2cc(-c3no[nH]c3=N)nc3c2oc2ccccc23)c1 ZINC000587363480 FI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](NC(C)=O)C3)c1 ZINC000587364060 FI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](NC(C)=O)C3)c1 ZINC000587364063 FI Annotated Anodyne CCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1 ZINC000587365060 FI Annotated Anodyne COc1cccc(-c2cc(CS(C)(=O)=O)nc3c2oc2ccccc23)c1 ZINC000587365458 FI Annotated Anodyne CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)c(C)c1 ZINC000587366153 FI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Br)c4ccccc34)nc2n1 ZINC000587366655 FI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)nc2n1 ZINC000587368141 FI Annotated Anodyne CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1 ZINC000587368299 FI Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587368426 FI Annotated Anodyne CC(C)(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1 ZINC000587368543 FI Annotated Reactive Oc1nc(O)c2ccc(-c3ccc(Oc4cc(F)ccc4F)cc3)nc2n1 ZINC000587368658 FI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(F)cc4F)cc3)nc2n1 ZINC000587368667 FI Annotated Anodyne CCSC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368883 FI Annotated Anodyne CCSC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368886 FI Annotated Anodyne CCSC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368887 FI Annotated Anodyne CCSC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368888 FI Annotated Anodyne CC(C)c1cc2c(O)nc(O)nc2nc1Cc1ccc(Cl)cc1Cl ZINC000587369304 FI Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3Cl)c(-c3ccccc3)nc2n1 ZINC000587369308 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ncc(Br)cc3o1)O2 ZINC000587370024 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ncc(Br)cc3o1)O2 ZINC000587370028 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Br)cnc3o1)O2 ZINC000587370102 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Br)cnc3o1)O2 ZINC000587370103 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(Br)cc1)O2 ZINC000587370226 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(Br)cc1)O2 ZINC000587370227 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Br)cc1)O2 ZINC000587370254 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Br)cc1)O2 ZINC000587370255 FI Annotated Anodyne C[C@@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370324 FI Annotated Anodyne C[C@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370327 FI Annotated Anodyne C[C@@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370328 FI Annotated Anodyne C[C@]1(c2ccns2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370330 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C)ccc1C)O2 ZINC000587370360 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C)ccc1C)O2 ZINC000587370362 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CCBr)O2 ZINC000587370811 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CCBr)O2 ZINC000587370821 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCCCC1)O2 ZINC000587370920 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCCCC1)O2 ZINC000587370923 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1C)O2 ZINC000587370933 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1C)O2 ZINC000587370936 FI Annotated Reactive O=C1c2ccc(O)cc2OC2(CC3(CSC3)C2)[C@H]1c1ccc(F)cc1 ZINC000587371032 FI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CSC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587371035 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2ccccc21 ZINC000587371146 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2ccccc21 ZINC000587371147 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cccc(Br)c31)O2 ZINC000587371229 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cccc(Br)c31)O2 ZINC000587371231 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3ccc(Br)cc31)O2 ZINC000587371251 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3ccc(Br)cc31)O2 ZINC000587371252 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)O2 ZINC000587371261 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)O2 ZINC000587371266 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)O2 ZINC000587371270 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)O2 ZINC000587371273 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3c(Br)cccc31)O2 ZINC000587371315 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3c(Br)cccc31)O2 ZINC000587371317 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccnc1Br)O2 ZINC000587371429 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccnc1Br)O2 ZINC000587371437 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CCBr)cc1)O2 ZINC000587371446 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CCBr)cc1)O2 ZINC000587371448 FI Annotated Reactive CCOc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371576 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)ccc31)O2 ZINC000587371578 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)ccc31)O2 ZINC000587371579 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2C[C@@H]1C ZINC000587371581 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2C[C@H]1C ZINC000587371583 FI Annotated Anodyne CCOc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371584 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2C[C@@H]1C ZINC000587371586 FI Annotated Anodyne CCOc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371587 FI Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371589 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2C[C@H]1C ZINC000587371590 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(Br)cc31)O2 ZINC000587371627 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(Br)cc31)O2 ZINC000587371628 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3cc(Br)ccc31)O2 ZINC000587371652 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3cc(Br)ccc31)O2 ZINC000587371654 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)c1ccccc1)O2 ZINC000587371757 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)c1ccccc1)O2 ZINC000587371763 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)c1ccccc1)O2 ZINC000587371764 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)c1ccccc1)O2 ZINC000587371767 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@@H]1Br ZINC000587371852 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@H]1Br ZINC000587371854 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@H]1Br ZINC000587371855 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@@H]1Br ZINC000587371857 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC=C(Br)CC1)O2 ZINC000587371939 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CC=C(Br)CC1)O2 ZINC000587371940 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC=C(Br)CC1)O2 ZINC000587371941 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CC=C(Br)CC1)O2 ZINC000587371942 FI Annotated Anodyne CCc1c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[nH]c(C)c1C(C)=O ZINC000587372040 FI Annotated Reactive CCc1c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[nH]c(C)c1C(C)=O ZINC000587372044 FI Annotated Reactive C[C@@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372110 FI Annotated Anodyne C[C@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372120 FI Annotated Anodyne C[C@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372122 FI Annotated Anodyne C[C@@]1(c2sccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372124 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)[nH]c3ccccc13)O2 ZINC000587372162 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)[nH]c3ccccc13)O2 ZINC000587372175 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C3CC3)c1C)O2 ZINC000587372244 FI Annotated Reactive CCc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372263 FI Annotated Reactive CCc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372266 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C3CC3)c1C)O2 ZINC000587372267 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ncc1Cl)O2 ZINC000587372308 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ncc1Cl)O2 ZINC000587372310 FI Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372314 FI Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372322 FI Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587372383 FI Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587372384 FI Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587372385 FI Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587372386 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)O2 ZINC000587372489 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)O2 ZINC000587372490 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)O2 ZINC000587372491 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)O2 ZINC000587372493 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)cccc31)O2 ZINC000587372635 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Br)cccc31)O2 ZINC000587372637 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(Br)cc1)O2 ZINC000587372665 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3cccc(C)c13)O2 ZINC000587372667 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3cccc(C)c13)O2 ZINC000587372669 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(Br)cc1)O2 ZINC000587372673 FI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OC ZINC000587372704 FI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OC ZINC000587372707 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(Br)c2C[C@@H]1C ZINC000587372714 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(Br)c2C[C@H]1C ZINC000587372716 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(Br)c2C[C@@H]1C ZINC000587372719 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(Br)c2C[C@H]1C ZINC000587372720 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)CCCl)O2 ZINC000587372826 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)CCCl)O2 ZINC000587372835 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cnc1Br)O2 ZINC000587372955 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cnc1Br)O2 ZINC000587372956 FI Annotated Anodyne C[C@@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373037 FI Annotated Anodyne C[C@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373039 FI Annotated Anodyne C[C@@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373041 FI Annotated Anodyne C[C@]1(c2cncs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373043 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)O2 ZINC000587373049 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)O2 ZINC000587373050 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)O2 ZINC000587373051 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)O2 ZINC000587373052 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](Br)c3ccccc31)O2 ZINC000587373228 FI Annotated Reactive CCOc1cc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587373343 FI Annotated Anodyne CCOc1cc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587373344 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](Br)c3ccccc31)O2 ZINC000587373418 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](Br)c3ccccc31)O2 ZINC000587373419 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](Br)c3ccccc31)O2 ZINC000587373421 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)c(N)c(Cl)c1)O2 ZINC000587373439 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)c(N)c(Cl)c1)O2 ZINC000587373449 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)cc1Cl)O2 ZINC000587373463 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)cc1Cl)O2 ZINC000587373464 FI Annotated Anodyne COc1ccc2c([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 ZINC000587373576 FI Annotated Reactive COc1ccc2c([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 ZINC000587373578 FI Annotated Reactive Cc1cccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587373590 FI Annotated Reactive Cc1cccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587373591 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C)c(C)c1)O2 ZINC000587373634 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C)c(C)c1)O2 ZINC000587373635 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1Cl)O2 ZINC000587373898 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1Cl)O2 ZINC000587373901 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)cc(C)c31)O2 ZINC000587373976 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)cc(C)c31)O2 ZINC000587373979 FI Annotated Anodyne COc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587373980 FI Annotated Reactive COc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587373986 FI Annotated Reactive COc1ccc([C@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373991 FI Annotated Reactive COc1ccc([C@@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373993 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cncc1Br)O2 ZINC000587374019 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cncc1Br)O2 ZINC000587374021 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1Cl)O2 ZINC000587374038 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1Cl)O2 ZINC000587374040 FI Annotated Anodyne CCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374093 FI Annotated Anodyne CCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374097 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1Cc3ccccc31)O2 ZINC000587374157 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1Cc3ccccc31)O2 ZINC000587374158 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1Cc3ccccc31)O2 ZINC000587374159 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1Cc3ccccc31)O2 ZINC000587374161 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1ccccc1Cl)O2 ZINC000587374330 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccccc1Cl)O2 ZINC000587374331 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](Cl)N=O)O2 ZINC000587374435 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](Cl)N=O)O2 ZINC000587374437 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](Cl)N=O)O2 ZINC000587374438 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](Cl)N=O)O2 ZINC000587374439 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Br)ccc(C)c31)O2 ZINC000587374595 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)[C@H](C)Cl)O2 ZINC000587374597 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)ccc(C)c31)O2 ZINC000587374599 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)O2 ZINC000587374602 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)O2 ZINC000587374608 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)[C@H](C)Cl)O2 ZINC000587374609 FI Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374654 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(CCl)c(C#N)c3ccccn13)O2 ZINC000587374655 FI Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374656 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(CCl)c(C#N)c3ccccn13)O2 ZINC000587374657 FI Annotated Reactive CC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374659 FI Annotated Reactive CC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374661 FI Annotated Reactive C=CCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587374664 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1c(C)cccc1Cl)O2 ZINC000587374665 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1c(C)cccc1Cl)O2 ZINC000587374669 FI Annotated Anodyne C=CCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587374672 FI Annotated Reactive CC[C@@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374705 FI Annotated Anodyne CC[C@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374715 FI Annotated Anodyne CC[C@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374716 FI Annotated Anodyne CC[C@@]1(C2=NCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374717 FI Annotated Anodyne CCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374844 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)O2 ZINC000587374845 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3cccc(Br)c31)O2 ZINC000587374846 FI Annotated Anodyne CCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374847 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)O2 ZINC000587374849 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3cccc(Br)c31)O2 ZINC000587374850 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1Br)O2 ZINC000587374873 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1Br)O2 ZINC000587374874 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)ccc3C1)O2 ZINC000587374889 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)ccc3C1)O2 ZINC000587374892 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3ccc(Br)cc31)O2 ZINC000587374895 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3ccc(Br)cc31)O2 ZINC000587374898 FI Annotated Anodyne COc1c(Br)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374956 FI Annotated Anodyne COc1c(Br)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374958 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587374964 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587374965 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(C#N)c1)O2 ZINC000587375060 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(C#N)c1)O2 ZINC000587375061 FI Annotated Mild Cc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375106 FI Annotated Reactive Cc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375107 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)O2 ZINC000587375338 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)O2 ZINC000587375339 FI Annotated Bother CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375357 FI Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375358 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(Cl)c1C)O2 ZINC000587375365 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(Cl)c1C)O2 ZINC000587375366 FI Annotated Anodyne CCOc1c(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587375383 FI Annotated Anodyne CCOc1c(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587375384 FI Annotated Anodyne Cc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587375411 FI Annotated Reactive Cc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587375412 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccccc1Br)O2 ZINC000587375546 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccccc1Br)O2 ZINC000587375547 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Cl)ccc1Br)O2 ZINC000587375549 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Cl)ccc1Br)O2 ZINC000587375552 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)CCCl)cc1)O2 ZINC000587375700 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)CCCl)cc1)O2 ZINC000587375702 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc3nc(CCl)oc13)O2 ZINC000587375727 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc3nc(CCl)oc13)O2 ZINC000587375737 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)c(Cl)cc(Cl)c1O)O2 ZINC000587375797 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)c(Cl)cc(Cl)c1O)O2 ZINC000587375801 FI Annotated Anodyne C[C@@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375858 FI Annotated Anodyne C[C@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375860 FI Annotated Anodyne C[C@@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375861 FI Annotated Anodyne C[C@]1(c2cscn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375862 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(c3cccc(Cl)c3)CCOCC1)O2 ZINC000587375900 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(c3cccc(Cl)c3)CCOCC1)O2 ZINC000587375902 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccccc3Cl)c1)O2 ZINC000587375912 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccccc3Cl)c1)O2 ZINC000587375914 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc[nH]1)(c1cc(Cl)ccc1N)O2 ZINC000587375947 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc[nH]1)(c1cc(Cl)ccc1N)O2 ZINC000587375953 FI Annotated Anodyne COc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375976 FI Annotated Anodyne COc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375979 FI Annotated Anodyne COc1cc(Cl)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587375993 FI Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587375994 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3)cc1Cl)O2 ZINC000587376089 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Cl)o1)O2 ZINC000587376094 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3)cc1Cl)O2 ZINC000587376095 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Cl)o1)O2 ZINC000587376097 FI Annotated Anodyne COc1cc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376221 FI Annotated Anodyne COc1cc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376223 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(c3ccccc3Cl)CCOCC1)O2 ZINC000587376413 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(c3ccccc3Cl)CCOCC1)O2 ZINC000587376414 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587376455 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587376456 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587376457 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587376459 FI Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587376525 FI Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587376526 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3Cl)CC1)O2 ZINC000587376553 FI Annotated Anodyne C[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376562 FI Annotated Anodyne C[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376563 FI Annotated Anodyne C[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376566 FI Annotated Anodyne C[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376568 FI Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376602 FI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376613 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)Br)O2 ZINC000587376774 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C)Br)O2 ZINC000587376777 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)Br)O2 ZINC000587376779 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)Br)O2 ZINC000587376781 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CBr)cc1)O2 ZINC000587377071 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CBr)cc1)O2 ZINC000587377074 FI Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377114 FI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377117 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)O2 ZINC000587377142 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)O2 ZINC000587377144 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)O2 ZINC000587377147 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)O2 ZINC000587377149 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)c(Cl)c1)O2 ZINC000587377182 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)c(Cl)c1)O2 ZINC000587377184 FI Annotated Anodyne CCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587377240 FI Annotated Anodyne CCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587377241 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)cc1Cl)O2 ZINC000587377253 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)cc1Cl)O2 ZINC000587377256 FI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Br ZINC000587377327 FI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Br ZINC000587377328 FI Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377363 FI Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377364 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(O)(c3cccc(Cl)c3)CC1)O2 ZINC000587377427 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc(Cl)c1)O2 ZINC000587377483 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccc(Cl)c1)O2 ZINC000587377486 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccc(Cl)c1)O2 ZINC000587377488 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccc(Cl)c1)O2 ZINC000587377490 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccnc1Cl)O2 ZINC000587377545 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccnc1Cl)O2 ZINC000587377546 FI Annotated Anodyne COc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377552 FI Annotated Anodyne COc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377553 FI Annotated Anodyne COc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377595 FI Annotated Anodyne COc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377597 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Cl)cc1Br)O2 ZINC000587377600 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Cl)cc1Br)O2 ZINC000587377602 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccccc1Br)O2 ZINC000587377687 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccccc1Br)O2 ZINC000587377689 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3)c(Cl)c1)O2 ZINC000587377750 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3)c(Cl)c1)O2 ZINC000587377751 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)O2 ZINC000587377776 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)O2 ZINC000587377777 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cccc(Cl)c1)O2 ZINC000587377798 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cccc(Cl)c1)O2 ZINC000587377802 FI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC ZINC000587377816 FI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC ZINC000587377818 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(C)c(Cl)c(C)c31)O2 ZINC000587377908 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(C)c(Cl)c(C)c31)O2 ZINC000587377913 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(Cl)n1)O2 ZINC000587377944 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(Cl)n1)O2 ZINC000587377946 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(C1CCNCC1)O2 ZINC000587377982 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(C1CCNCC1)O2 ZINC000587378000 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C)c1O)O2 ZINC000587378052 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C)c1O)O2 ZINC000587378054 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc(Br)c1)O2 ZINC000587378057 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc(Br)c1)O2 ZINC000587378059 FI Annotated Mild COc1cccc(Br)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378060 FI Annotated Anodyne COc1cccc(Br)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378062 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3cccc(Cl)c3)c1)O2 ZINC000587378156 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(Br)c1O)O2 ZINC000587378157 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3cccc(Cl)c3)c1)O2 ZINC000587378158 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(Br)c1O)O2 ZINC000587378159 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1cc(Cl)cc(Cl)c1)O2 ZINC000587378185 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1cc(Cl)cc(Cl)c1)O2 ZINC000587378192 FI Annotated Anodyne COc1ccc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587378204 FI Annotated Anodyne COc1ccc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587378206 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c[nH]c3cccc(Cl)c13)O2 ZINC000587378271 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c[nH]c3cccc(Cl)c13)O2 ZINC000587378277 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3cccc(Cl)c3)c1)O2 ZINC000587378335 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3cccc(Cl)c3)c1)O2 ZINC000587378336 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc(Cl)ccc31)O2 ZINC000587378340 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(Cl)ccc31)O2 ZINC000587378342 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C\N(C)C)c1ccc(Cl)cc1)O2 ZINC000587378357 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C/N(C)C)c1ccc(Cl)cc1)O2 ZINC000587378365 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C\N(C)C)c1ccc(Cl)cc1)O2 ZINC000587378367 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C/N(C)C)c1ccc(Cl)cc1)O2 ZINC000587378369 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587378436 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587378439 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccccc1Cl)O2 ZINC000587378442 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccccc1Cl)O2 ZINC000587378446 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587378535 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587378536 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cccc(Br)c1)O2 ZINC000587378666 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cccc(Br)c1)O2 ZINC000587378668 FI Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378707 FI Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378709 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3Cl)c1)O2 ZINC000587378787 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3Cl)c1)O2 ZINC000587378788 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587378790 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587378794 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Cl)O2 ZINC000587378814 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Cl)O2 ZINC000587378816 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccccc3Cl)CC1)O2 ZINC000587378834 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)n(C)c3ccc(C=O)cc13)O2 ZINC000587378847 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)n(C)c3ccc(C=O)cc13)O2 ZINC000587378861 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccc(Cl)cc13)O2 ZINC000587378870 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccc(Cl)cc13)O2 ZINC000587378872 FI Annotated Anodyne COc1ccc([C@@H](C#N)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587378911 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)c1cccc(Br)c1)O2 ZINC000587378931 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)c1cccc(Br)c1)O2 ZINC000587378932 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)c1cccc(Br)c1)O2 ZINC000587378933 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)c1cccc(Br)c1)O2 ZINC000587378934 FI Annotated Anodyne COc1ccc([C@H](C#N)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587379028 FI Annotated Mild COc1ccc([C@@H](C#N)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587379029 FI Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587379030 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccccc1Cl)O2 ZINC000587379063 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccccc1Cl)O2 ZINC000587379064 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1)O2 ZINC000587379087 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1)O2 ZINC000587379088 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(Cl)cc1)O2 ZINC000587379089 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(Cl)cc1)O2 ZINC000587379090 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)cc1C)O2 ZINC000587379170 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)cc1C)O2 ZINC000587379173 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)O2 ZINC000587379224 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)O2 ZINC000587379226 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cc(Cl)cnc1Cl)O2 ZINC000587379284 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cc(Cl)cnc1Cl)O2 ZINC000587379286 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(C)c(Cl)cc3c1=O)O2 ZINC000587379300 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(C)c(Cl)cc3c1=O)O2 ZINC000587379302 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c3c(c1)OCCCO3)O2 ZINC000587379324 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3c(c1)OCCCO3)O2 ZINC000587379326 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C1CCNCC1)O2 ZINC000587379380 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C1CCNCC1)O2 ZINC000587379382 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3Cl)c1)O2 ZINC000587379426 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3Cl)c1)O2 ZINC000587379429 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccnc1Cl)O2 ZINC000587379446 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccnc1Cl)O2 ZINC000587379448 FI Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379476 FI Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379478 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccnc1-c1ccc(Cl)cc1)O2 ZINC000587379520 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccnc1-c1ccc(Cl)cc1)O2 ZINC000587379523 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C\N(C)C)c1cccc(Cl)c1)O2 ZINC000587379565 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C/N(C)C)c1cccc(Cl)c1)O2 ZINC000587379567 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C\N(C)C)c1cccc(Cl)c1)O2 ZINC000587379570 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(Cl)cc(Cl)c31)O2 ZINC000587379607 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(Cl)cc(Cl)c31)O2 ZINC000587379612 FI Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 ZINC000587379613 FI Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1 ZINC000587379615 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccccc3)c1Cl)O2 ZINC000587379617 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccccc3)c1Cl)O2 ZINC000587379619 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(Cl)cc3c1=O)O2 ZINC000587379625 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(Cl)cc3c1=O)O2 ZINC000587379629 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C/N(C)C)c1cccc(Cl)c1)O2 ZINC000587379671 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(Cl)cc3)CC1)O2 ZINC000587379773 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(Cl)c3)CC1)O2 ZINC000587379831 FI Annotated Anodyne COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)nc2c1 ZINC000587379835 FI Annotated Anodyne COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)nc2c1 ZINC000587379836 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Cl)cn1)O2 ZINC000587379892 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Cl)cn1)O2 ZINC000587379893 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1Cl)O2 ZINC000587379910 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1Cl)O2 ZINC000587379911 FI Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379974 FI Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379975 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c[nH]c3cc(Cl)ccc13)O2 ZINC000587379992 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c[nH]c3cc(Cl)ccc13)O2 ZINC000587379993 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(Cl)cc3)c1)O2 ZINC000587380047 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(Cl)cc3)c1)O2 ZINC000587380048 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)O2 ZINC000587380049 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)c(C=O)c(Cl)n3C)O2 ZINC000587380050 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccc(Cl)cc3)CC1)O2 ZINC000587380062 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CF)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587380083 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CF)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587380084 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 ZINC000587380102 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 ZINC000587380103 FI Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380170 FI Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380178 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Cl)cc3)nc1C)O2 ZINC000587380255 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Cl)cc3)nc1C)O2 ZINC000587380256 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Cl)ccc1C(F)(F)F)O2 ZINC000587380298 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Cl)ccc1C(F)(F)F)O2 ZINC000587380299 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)O2 ZINC000587380308 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)O2 ZINC000587380309 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(Cl)nc1Cl)O2 ZINC000587380506 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(Cl)nc1Cl)O2 ZINC000587380507 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3)[nH]c1Cl)O2 ZINC000587380511 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3)[nH]c1Cl)O2 ZINC000587380513 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1CBr)O2 ZINC000587380519 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1CBr)O2 ZINC000587380523 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1Br)O2 ZINC000587380659 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1Br)O2 ZINC000587380663 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cc(F)ccc1F)O2 ZINC000587380664 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1cc(F)ccc1F)O2 ZINC000587380665 FI Annotated Anodyne Cc1cc(OC(F)(F)F)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587380786 FI Annotated Anodyne Cc1cc(OC(F)(F)F)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587380787 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(C(F)(F)F)cc1C)O2 ZINC000587380794 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(C(F)(F)F)cc1C)O2 ZINC000587380795 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(Cl)cc3)nc1)O2 ZINC000587380851 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(Cl)cc3)nc1)O2 ZINC000587380852 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc3cc(Cl)ccn13)O2 ZINC000587380884 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc3cc(Cl)ccn13)O2 ZINC000587380889 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(Br)cc1F)O2 ZINC000587381020 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(Br)cc1F)O2 ZINC000587381021 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1F)O2 ZINC000587381028 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1F)O2 ZINC000587381029 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc(F)c(C)c1)O2 ZINC000587381040 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc(F)c(C)c1)O2 ZINC000587381041 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1F)O2 ZINC000587381077 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(Cl)cc3)c1)O2 ZINC000587381078 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1F)O2 ZINC000587381079 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(Cl)cc3)c1)O2 ZINC000587381080 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587381092 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587381093 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC(F)(F)F)c1)O2 ZINC000587381166 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC(F)(F)F)c1)O2 ZINC000587381170 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(F)c(OC(F)F)c1)O2 ZINC000587381181 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(F)c(OC(F)F)c1)O2 ZINC000587381182 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(F)(F)F)c(F)c1)O2 ZINC000587381185 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(F)(F)F)c(F)c1)O2 ZINC000587381189 FI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F ZINC000587381191 FI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F ZINC000587381193 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)ccnc1Cl)O2 ZINC000587381199 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)ccnc1Cl)O2 ZINC000587381200 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)F)c1F)O2 ZINC000587381206 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(F)(F)F)c1F)O2 ZINC000587381207 FI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587381236 FI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587381237 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(OC(F)(F)F)cc1)O2 ZINC000587381242 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(OC(F)(F)F)cc1)O2 ZINC000587381243 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)c1c(F)cccc1Cl)O2 ZINC000587381292 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)c1c(F)cccc1Cl)O2 ZINC000587381293 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)c1c(F)cccc1Cl)O2 ZINC000587381294 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)c1c(F)cccc1Cl)O2 ZINC000587381295 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c(Br)c1)O2 ZINC000587381329 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c(Br)c1)O2 ZINC000587381330 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(F)(F)F)c1)O2 ZINC000587381333 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)cc1F)O2 ZINC000587381335 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)cc1F)O2 ZINC000587381336 FI Annotated Anodyne Cc1cc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587381373 FI Annotated Anodyne Cc1cc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587381374 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(Br)c1F)O2 ZINC000587381385 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(Br)c1F)O2 ZINC000587381386 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(F)(F)F)O2 ZINC000587381400 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(F)(F)F)O2 ZINC000587381401 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)O2 ZINC000587381412 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)O2 ZINC000587381413 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)O2 ZINC000587381425 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)O2 ZINC000587381426 FI Annotated Bother COc1cc(C(F)(F)F)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381474 FI Annotated Anodyne COc1cc(C(F)(F)F)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381475 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)O2 ZINC000587381476 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)O2 ZINC000587381477 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(F)(F)F)c1)O2 ZINC000587381487 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(Br)c1F)O2 ZINC000587381553 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(Br)c1F)O2 ZINC000587381555 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)cc1F)O2 ZINC000587381559 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)cc1F)O2 ZINC000587381560 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(N3CCCC3)cc1C)O2 ZINC000587381606 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(N3CCCC3)cc1C)O2 ZINC000587381610 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccc(F)c1F)O2 ZINC000587381611 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccc(F)c1F)O2 ZINC000587381612 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)(F)F)c1 ZINC000587381626 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)(F)F)c1 ZINC000587381628 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(C)c(Br)c1)O2 ZINC000587381666 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(C)c(Br)c1)O2 ZINC000587381667 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(OC(F)(F)F)c1)O2 ZINC000587381675 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(OC(F)(F)F)c1)O2 ZINC000587381676 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(F)(F)F)cc1)O2 ZINC000587381683 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(F)(F)F)cc1)O2 ZINC000587381684 FI Annotated Anodyne COc1ccc(C(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381714 FI Annotated Anodyne COc1ccc(C(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381715 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(F)(F)F)c1)O2 ZINC000587381740 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(F)(F)F)c1)O2 ZINC000587381741 FI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(C(F)(F)F)c1 ZINC000587381771 FI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(C(F)(F)F)c1 ZINC000587381772 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(C)cc1Br)O2 ZINC000587381793 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(C)cc1Br)O2 ZINC000587381794 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(F)c(C)cc1F)O2 ZINC000587381812 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(F)c(C)cc1F)O2 ZINC000587381815 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCC3)c(F)c1)O2 ZINC000587381839 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCC3)c(F)c1)O2 ZINC000587381841 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(F)c1F)O2 ZINC000587381857 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(F)c1F)O2 ZINC000587381859 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CBr)ccc1F)O2 ZINC000587381873 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CBr)ccc1F)O2 ZINC000587381874 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(Br)cc1C)O2 ZINC000587381885 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(Br)cc1C)O2 ZINC000587381887 FI Annotated Anodyne CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F ZINC000587381942 FI Annotated Anodyne CCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F ZINC000587381943 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccccc3n1C(F)F)O2 ZINC000587381969 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccccc3n1C(F)F)O2 ZINC000587381970 FI Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381973 FI Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381974 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)cc1C(F)(F)F)O2 ZINC000587381998 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)cc1C(F)(F)F)O2 ZINC000587382000 FI Annotated Anodyne COc1ccc(C(F)(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587382016 FI Annotated Anodyne COc1ccc(C(F)(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587382017 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(F)(F)F)cc1)O2 ZINC000587382022 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(F)(F)F)cc1)O2 ZINC000587382023 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(Br)cc1F)O2 ZINC000587382073 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(Br)cc1F)O2 ZINC000587382074 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)nn3)cc1)O2 ZINC000587382099 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)nn3)cc1)O2 ZINC000587382100 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)([C@@H](C)Cl)O2 ZINC000587382147 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)([C@@H](C)Cl)O2 ZINC000587382148 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)([C@H](C)Cl)O2 ZINC000587382149 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)([C@H](C)Cl)O2 ZINC000587382150 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1Br)O2 ZINC000587382169 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1Br)O2 ZINC000587382170 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(F)cc1F)O2 ZINC000587382183 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(F)cc1F)O2 ZINC000587382184 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(F)c1)O2 ZINC000587382185 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(F)c1)O2 ZINC000587382186 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(OC(F)F)c(F)c1)O2 ZINC000587382235 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(OC(F)F)c(F)c1)O2 ZINC000587382236 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OC(F)(F)F)O2 ZINC000587382277 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OC(F)(F)F)O2 ZINC000587382278 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587382281 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587382286 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(F)(F)F)cc1)O2 ZINC000587382292 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(F)(F)F)cc1)O2 ZINC000587382293 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)c(F)c(F)c(F)c1F)O2 ZINC000587382313 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)c(F)c(F)c(F)c1F)O2 ZINC000587382315 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F ZINC000587382372 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F ZINC000587382374 FI Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382424 FI Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382425 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(C(F)(F)F)c1)O2 ZINC000587382432 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(C(F)(F)F)c1)O2 ZINC000587382443 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(F)(F)F)c1F)O2 ZINC000587382493 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(F)(F)F)c1F)O2 ZINC000587382494 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(C)oc1C(F)(F)F)O2 ZINC000587382536 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(C)oc1C(F)(F)F)O2 ZINC000587382539 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc(C(F)(F)F)c1)O2 ZINC000587382545 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc(C(F)(F)F)c1)O2 ZINC000587382547 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(OC(F)(F)F)cc31)O2 ZINC000587382562 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(OC(F)(F)F)cc31)O2 ZINC000587382565 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)c(Cl)c1)O2 ZINC000587382573 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)c(Cl)c1)O2 ZINC000587382576 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1OC(F)(F)F)O2 ZINC000587382582 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1OC(F)(F)F)O2 ZINC000587382585 FI Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382600 FI Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382602 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(Br)c1)O2 ZINC000587382652 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(Br)c1)O2 ZINC000587382654 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(C)c1Br)O2 ZINC000587382716 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(C)c1Br)O2 ZINC000587382718 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C)c1F)O2 ZINC000587382720 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C)c1F)O2 ZINC000587382721 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)O2 ZINC000587382722 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)O2 ZINC000587382724 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])O2 ZINC000587382730 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])O2 ZINC000587382732 FI Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)(F)F ZINC000587382794 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)(F)F ZINC000587382795 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1Br)O2 ZINC000587382857 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1Br)O2 ZINC000587382858 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1OC(F)F)O2 ZINC000587382907 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1OC(F)F)O2 ZINC000587382910 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1F)O2 ZINC000587382930 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1F)O2 ZINC000587382932 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(Br)c1F)O2 ZINC000587383001 FI Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383002 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(Br)c1F)O2 ZINC000587383003 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C#N)c1cccc(C(F)(F)F)c1)O2 ZINC000587383006 FI Annotated Mild CC[C@]1(c2ccc(OCC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383008 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C#N)c1cccc(C(F)(F)F)c1)O2 ZINC000587383009 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C#N)c1cccc(C(F)(F)F)c1)O2 ZINC000587383010 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C#N)c1cccc(C(F)(F)F)c1)O2 ZINC000587383014 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(CBr)c1)O2 ZINC000587383026 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(CBr)c1)O2 ZINC000587383027 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(F)cc1Br)O2 ZINC000587383062 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(F)cc1Br)O2 ZINC000587383064 FI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383071 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1F)O2 ZINC000587383078 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1F)O2 ZINC000587383079 FI Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383117 FI Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383128 FI Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383129 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(F)c1Br)O2 ZINC000587383178 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(F)c1Br)O2 ZINC000587383179 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cnc1Cl)O2 ZINC000587383182 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cnc1Cl)O2 ZINC000587383184 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(F)cc1F)O2 ZINC000587383203 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(F)cc1F)O2 ZINC000587383204 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(F)c1Br)O2 ZINC000587383277 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccc(F)cc3)c1C)O2 ZINC000587383292 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1cccc(C(F)(F)F)c1)O2 ZINC000587383300 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccc(F)cc3)c1C)O2 ZINC000587383302 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1cccc(C(F)(F)F)c1)O2 ZINC000587383303 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cnn(C(C)C)c3nc1Cl)O2 ZINC000587383311 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cnn(C(C)C)c3nc1Cl)O2 ZINC000587383316 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(F)cc3)c1C)O2 ZINC000587383336 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(F)cc3)c1C)O2 ZINC000587383339 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC=O)(Cc1ccc(F)cc1)O2 ZINC000587383341 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC=O)(Cc1ccc(F)cc1)O2 ZINC000587383355 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](OCc3ccccc3)C[C@H]1F)O2 ZINC000587383365 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](OCc3ccccc3)C[C@@H]1F)O2 ZINC000587383368 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](OCc3ccccc3)C[C@H]1F)O2 ZINC000587383369 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)cc1C(F)(F)F)O2 ZINC000587383370 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](OCc3ccccc3)C[C@@H]1F)O2 ZINC000587383371 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)cc1C(F)(F)F)O2 ZINC000587383374 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)(c1ccc(F)cc1)O2 ZINC000587383385 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)(c1ccc(F)cc1)O2 ZINC000587383387 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(F)c1Br)O2 ZINC000587383395 FI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 ZINC000587383430 FI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1 ZINC000587383431 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)nc1Cl)O2 ZINC000587383566 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)nc1Cl)O2 ZINC000587383567 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(OC(C)C)c1)(C(F)F)O2 ZINC000587383568 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(OC(C)C)c1)(C(F)F)O2 ZINC000587383570 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)O2 ZINC000587383572 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)c(F)c1)O2 ZINC000587383573 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ncc(C(F)(F)F)cc13)O2 ZINC000587383578 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ncc(C(F)(F)F)cc13)O2 ZINC000587383579 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCCF)cc1)(C(C)C)O2 ZINC000587383580 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCCF)cc1)(C(C)C)O2 ZINC000587383581 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1N)O2 ZINC000587383590 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1N)O2 ZINC000587383596 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 ZINC000587383664 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 ZINC000587383667 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C(F)(F)F)cc1Cl)O2 ZINC000587383704 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C(F)(F)F)cc1Cl)O2 ZINC000587383706 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3cc(F)ccc13)O2 ZINC000587383747 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3cc(F)ccc13)O2 ZINC000587383748 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c4ccc(F)cc4c31)O2 ZINC000587383775 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c4ccc(F)cc4c31)O2 ZINC000587383776 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1C(F)(F)F)O2 ZINC000587383819 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1C(F)(F)F)O2 ZINC000587383820 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ncc(C(F)(F)F)cc31)O2 ZINC000587383833 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ncc(C(F)(F)F)cc31)O2 ZINC000587383834 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1C)O2 ZINC000587383861 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1C)O2 ZINC000587383862 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(C1CCOCC1)O2 ZINC000587383874 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(C1CCOCC1)O2 ZINC000587383879 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccnc(C(F)(F)F)c13)O2 ZINC000587383890 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccnc(C(F)(F)F)c13)O2 ZINC000587383891 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(OC(F)(F)F)cc1)O2 ZINC000587383901 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(OC(F)(F)F)cc1)O2 ZINC000587383903 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)nc1C)O2 ZINC000587383930 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)nc1C)O2 ZINC000587383932 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(O)cc1)(c1ccc(F)cc1)O2 ZINC000587383975 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(O)cc1)(c1ccc(F)cc1)O2 ZINC000587383978 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncc1)(c1ccc(F)cc1)O2 ZINC000587384028 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncc1)(c1ccc(F)cc1)O2 ZINC000587384029 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1CBr)O2 ZINC000587384139 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1CBr)O2 ZINC000587384140 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1N1CCCC1)O2 ZINC000587384163 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1N1CCCC1)O2 ZINC000587384164 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nc3sccn13)O2 ZINC000587384192 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nc3sccn13)O2 ZINC000587384194 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C#N)(c3ccccc3F)CC1)O2 ZINC000587384198 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c3ccnc-3[nH]cc1C(F)(F)F)O2 ZINC000587384204 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c3ccnc-3[nH]cc1C(F)(F)F)O2 ZINC000587384209 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1C(F)(F)F)O2 ZINC000587384246 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1C(F)(F)F)O2 ZINC000587384247 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OC(F)(F)F)ccc1F)O2 ZINC000587384274 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OC(F)(F)F)ccc1F)O2 ZINC000587384275 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)cc(Br)c1)O2 ZINC000587384425 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)cc(Br)c1)O2 ZINC000587384426 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(Br)c1)O2 ZINC000587384485 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(Br)c1)O2 ZINC000587384486 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1Br)O2 ZINC000587384493 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1Br)O2 ZINC000587384494 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C#N)(c3ccc(F)cc3)CC1)O2 ZINC000587384542 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccc(F)cc31)O2 ZINC000587384559 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(F)cc31)O2 ZINC000587384560 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccccc1N)O2 ZINC000587384602 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccccc1N)O2 ZINC000587384603 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1Br)O2 ZINC000587384619 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1Br)O2 ZINC000587384620 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CBr)c1F)O2 ZINC000587384696 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CBr)c1F)O2 ZINC000587384697 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(F)cc1F)O2 ZINC000587384700 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(F)cc1F)O2 ZINC000587384701 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccc1F)O2 ZINC000587384777 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccccc1F)O2 ZINC000587384778 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)ccc1N)O2 ZINC000587384779 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)ccc1N)O2 ZINC000587384781 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)ccc1O)O2 ZINC000587384807 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)ccc1O)O2 ZINC000587384808 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc(F)cc1F)O2 ZINC000587384852 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc(F)cc1F)O2 ZINC000587384853 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1Br)O2 ZINC000587384886 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1Br)O2 ZINC000587384887 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C#N)cc1)(c1cccc(F)c1)O2 ZINC000587384940 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C#N)cc1)(c1cccc(F)c1)O2 ZINC000587384942 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc(C#N)cc1)O2 ZINC000587384968 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc(C#N)cc1)O2 ZINC000587384970 FI Annotated Mild CCN(CC)Cc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587384975 FI Annotated Anodyne CCN(CC)Cc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587384982 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(F)cc1F)O2 ZINC000587385014 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(F)cc1F)O2 ZINC000587385018 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(CBr)c1)O2 ZINC000587385020 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(CBr)c1)O2 ZINC000587385022 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CBr)cc1F)O2 ZINC000587385026 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CBr)cc1F)O2 ZINC000587385027 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccc(F)c(F)c1)O2 ZINC000587385035 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccc(F)c(F)c1)O2 ZINC000587385037 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C#N)cc1OCC1CC1)O2 ZINC000587385196 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C#N)cc1OCC1CC1)O2 ZINC000587385197 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)noc1C)O2 ZINC000587385372 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)noc1C)O2 ZINC000587385375 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(F)cc3C)CC1)O2 ZINC000587385497 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccc(F)c(F)c1)O2 ZINC000587385510 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccc(F)c(F)c1)O2 ZINC000587385526 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(F)cc2CCc2ncccc21 ZINC000587385546 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(F)cc2CCc2ncccc21 ZINC000587385569 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C#N)cc1)O2 ZINC000587385729 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C#N)cc1)O2 ZINC000587385732 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)c1F)O2 ZINC000587385843 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)c1F)O2 ZINC000587385846 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1Br)O2 ZINC000587385886 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1Br)O2 ZINC000587385889 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC(=O)O)(c1ccc(F)cc1)O2 ZINC000587385977 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC(=O)O)(c1ccc(F)cc1)O2 ZINC000587385978 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)c3ccccc3)nc1)O2 ZINC000587386068 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)c3ccccc3)nc1)O2 ZINC000587386072 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(C)C(=O)OC(C)(C)C)CC1)O2 ZINC000587386074 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1F)O2 ZINC000587386198 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1F)O2 ZINC000587386200 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC=C(NNc3ccc(F)cc3)C1)O2 ZINC000587386349 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC=C(NNc3ccc(F)cc3)C1)O2 ZINC000587386360 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@]1(C#N)Cc1ccc(F)cc1)O2 ZINC000587386477 FI Annotated Mild CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587386502 FI Annotated Anodyne CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587386503 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@]1(C#N)Cc1ccc(F)cc1)O2 ZINC000587386532 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@]1(C#N)Cc1ccc(F)cc1)O2 ZINC000587386533 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@]1(C#N)Cc1ccc(F)cc1)O2 ZINC000587386534 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCC(=O)Cc1ccc(F)cc1)O2 ZINC000587386572 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCC(=O)Cc1ccc(F)cc1)O2 ZINC000587386573 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1F)O2 ZINC000587386628 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1F)O2 ZINC000587386629 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cc3ccccc3o1)O2 ZINC000587386802 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cc3ccccc3o1)O2 ZINC000587386803 FI Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386836 FI Annotated Anodyne CCN(CC)CCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386837 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(F)c1)O2 ZINC000587386921 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(F)c1)O2 ZINC000587386922 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1F)([C@@H](C)Cl)O2 ZINC000587387021 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1F)([C@@H](C)Cl)O2 ZINC000587387022 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1F)([C@H](C)Cl)O2 ZINC000587387023 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1F)([C@H](C)Cl)O2 ZINC000587387024 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1C#N)O2 ZINC000587387033 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1C#N)O2 ZINC000587387035 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N=C=O)cc1)O2 ZINC000587387094 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N=C=O)cc1)O2 ZINC000587387095 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1CBr)O2 ZINC000587387168 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1CBr)O2 ZINC000587387170 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CBr)c(F)c1)O2 ZINC000587387171 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CBr)c(F)c1)O2 ZINC000587387172 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(C#N)cc3)o1)O2 ZINC000587387311 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(C#N)cc3)o1)O2 ZINC000587387312 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(C)Cc3ccccc3)CC1)O2 ZINC000587387368 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN(C)Cc1ccccc1)O2 ZINC000587387580 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN(C)Cc1ccccc1)O2 ZINC000587387584 FI Annotated Anodyne CCN(CCC#N)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587387629 FI Annotated Mild CCN(CCC#N)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587387630 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1C(C)C)O2 ZINC000587387646 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1C(C)C)O2 ZINC000587387649 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cc(C)ccc1C)O2 ZINC000587387657 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cc(C)ccc1C)O2 ZINC000587387658 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(F)c(F)c(F)c(F)c13)O2 ZINC000587387978 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(F)c(F)c(F)c(F)c13)O2 ZINC000587387979 FI Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587388079 FI Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587388080 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(C)c(C)c1)O2 ZINC000587388081 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(C)c(C)c1)O2 ZINC000587388082 FI Annotated Anodyne CCN(C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C ZINC000587388267 FI Annotated Anodyne CCN(C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C ZINC000587388268 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1NC(=O)OC(C)(C)C)O2 ZINC000587388307 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1NC(=O)OC(C)(C)C)O2 ZINC000587388308 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc(N)cc21 ZINC000587388343 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc(N)cc21 ZINC000587388344 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ncccc3C)c1C)O2 ZINC000587388370 FI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ncccc3C)c1C)O2 ZINC000587388371 FI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(NC(=O)OC(C)(C)C)nc1)O2 ZINC000587388374 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(NC(=O)OC(C)(C)C)nc1)O2 ZINC000587388377 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])O2 ZINC000587388427 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])O2 ZINC000587388431 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])O2 ZINC000587388432 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])O2 ZINC000587388433 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)O2 ZINC000587388469 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)O2 ZINC000587388470 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cc([N+](=O)[O-])ccc3o1)O2 ZINC000587388609 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cc([N+](=O)[O-])ccc3o1)O2 ZINC000587388610 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(-c3ccccc3)c1C)O2 ZINC000587388733 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(-c3ccccc3)c1C)O2 ZINC000587388736 FI Annotated Anodyne CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587388766 FI Annotated Bother CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587388767 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000587388800 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000587388801 FI Annotated Bother CCOc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388934 FI Annotated Anodyne CCOc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388935 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 ZINC000587388995 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 ZINC000587389037 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1Oc1ccccc1)O2 ZINC000587389074 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1Oc1ccccc1)O2 ZINC000587389077 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(C(C)C)cc1)O2 ZINC000587389084 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(C(C)C)cc1)O2 ZINC000587389086 FI Annotated Anodyne CCCn1c(C)cc([C@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587389124 FI Annotated Mild CCCn1c(C)cc([C@@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587389133 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)O2 ZINC000587389265 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)O2 ZINC000587389266 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)O2 ZINC000587389267 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)O2 ZINC000587389268 FI Annotated Anodyne Cc1ccc(C(=O)c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c2)cc1 ZINC000587389352 FI Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c2)cc1 ZINC000587389360 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)C(C)C)c1)O2 ZINC000587389419 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)C(C)C)c1)O2 ZINC000587389427 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccccc1N)O2 ZINC000587389503 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccccc1N)O2 ZINC000587389516 FI Annotated Anodyne CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389641 FI Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389646 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)O2 ZINC000587389663 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)O2 ZINC000587389664 FI Annotated Bother COCCn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587389698 FI Annotated Anodyne COCCn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587389699 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C)ccc1N)O2 ZINC000587389751 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C)ccc1N)O2 ZINC000587389752 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc3cc([N+](=O)[O-])ccc13)O2 ZINC000587389803 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc3cc([N+](=O)[O-])ccc13)O2 ZINC000587389806 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(Cc3cccnc3)c1C)O2 ZINC000587389840 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(Cc3cccnc3)c1C)O2 ZINC000587389842 FI Annotated Anodyne Cc1cccc(-n2nc(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587389918 FI Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587389919 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(NC(=O)OC(C)(C)C)c1)O2 ZINC000587389942 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(NC(=O)OC(C)(C)C)c1)O2 ZINC000587389944 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])O2 ZINC000587389951 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])O2 ZINC000587389955 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])O2 ZINC000587389957 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])O2 ZINC000587389958 FI Annotated Bother CCn1cc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587390268 FI Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587390272 FI Annotated Anodyne Cc1ccnc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587390356 FI Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587390359 FI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(Cc3ccco3)c1C)O2 ZINC000587390477 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(Cc3ccco3)c1C)O2 ZINC000587390483 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NCc3ccccc3)CC1)O2 ZINC000587390644 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1oc3ccccc3c1N)O2 ZINC000587390645 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1oc3ccccc3c1N)O2 ZINC000587390646 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cc(N)ccc21 ZINC000587390667 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cc(N)ccc21 ZINC000587390668 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)O2 ZINC000587390840 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)O2 ZINC000587390842 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)c3ccc([N+](=O)[O-])cc31)O2 ZINC000587390853 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)c3ccc([N+](=O)[O-])cc31)O2 ZINC000587390855 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587390952 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587390953 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)O2 ZINC000587390976 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)O2 ZINC000587390977 FI Annotated Bother COc1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)c(C)n2C ZINC000587391067 FI Annotated Clean COc1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)c(C)n2C ZINC000587391072 FI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3ccccc3)c1C)O2 ZINC000587391086 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3ccccc3)c1C)O2 ZINC000587391087 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccc1C#N)O2 ZINC000587391198 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccccc1C#N)O2 ZINC000587391203 FI Annotated Mild CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2cc(OC)ccc21 ZINC000587391289 FI Annotated Anodyne CCc1ccc([C@]2(c3ccc(N)cc3)CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587391399 FI Annotated Anodyne CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2cc(OC)ccc21 ZINC000587391401 FI Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587391406 FI Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391577 FI Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391580 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3c1cnn3C(C)(C)C)O2 ZINC000587391678 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3c1cnn3C(C)(C)C)O2 ZINC000587391685 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C(C)(C)C1)O2 ZINC000587391822 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C(C)(C)C1)O2 ZINC000587391823 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nc4ccccc4n3C)o1)O2 ZINC000587391951 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nc4ccccc4n3C)o1)O2 ZINC000587391954 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncccc1NC(=O)OC(C)(C)C)O2 ZINC000587391990 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncccc1NC(=O)OC(C)(C)C)O2 ZINC000587391994 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3C)c1C)O2 ZINC000587392085 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3C)c1C)O2 ZINC000587392086 FI Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392107 FI Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392110 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc3ccccc3c1)O2 ZINC000587392127 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc3ccccc3c1)O2 ZINC000587392130 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1NC(=O)OC(C)(C)C)O2 ZINC000587392166 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1NC(=O)OC(C)(C)C)O2 ZINC000587392167 FI Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1 ZINC000587392172 FI Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1 ZINC000587392173 FI Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392240 FI Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392241 FI Annotated Anodyne CC[C@@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392311 FI Annotated Anodyne CC[C@]1(c2ccc3c(c2)cc(O)n3C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392316 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)C3CCC3)c1)O2 ZINC000587392416 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)C3CCC3)c1)O2 ZINC000587392417 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)O2 ZINC000587392507 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)O2 ZINC000587392508 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)O2 ZINC000587392509 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)O2 ZINC000587392651 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)O2 ZINC000587392652 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000587392813 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000587392814 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000587392815 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cc3ccccc3o1)O2 ZINC000587392889 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cc3ccccc3o1)O2 ZINC000587392890 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1ccccc1)O2 ZINC000587392903 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1ccccc1)O2 ZINC000587392904 FI Annotated Mild CC[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393019 FI Annotated Anodyne CC[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393020 FI Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393021 FI Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393022 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(Cc3ccccc3)C1(C)C)O2 ZINC000587393023 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(Cc3ccccc3)C1(C)C)O2 ZINC000587393024 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccn3)c1)O2 ZINC000587393059 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccn3)c1)O2 ZINC000587393070 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)CC1(C)C)O2 ZINC000587393162 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)CC1(C)C)O2 ZINC000587393164 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccnc3C(=O)O)cc1)O2 ZINC000587393182 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccnc3C(=O)O)cc1)O2 ZINC000587393201 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccco3)n3ccccc13)O2 ZINC000587393214 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccco3)n3ccccc13)O2 ZINC000587393221 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cncc(C)n3)cc1)O2 ZINC000587393272 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cncc(C)n3)cc1)O2 ZINC000587393273 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC3CCCCC3)nc1)O2 ZINC000587393306 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC3CCCCC3)nc1)O2 ZINC000587393307 FI Annotated Anodyne Cc1cc(C)cc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)c1 ZINC000587393391 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)O2 ZINC000587393397 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCCCN1C(=O)OC(C)(C)C)O2 ZINC000587393398 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)O2 ZINC000587393399 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCCCN1C(=O)OC(C)(C)C)O2 ZINC000587393400 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc4c(c3)CCC4)CC1)O2 ZINC000587393413 FI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3cncc(C)n3)c1)O2 ZINC000587393492 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3cncc(C)n3)c1)O2 ZINC000587393493 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1Oc1ccc(C#N)cc1)O2 ZINC000587393548 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1Oc1ccc(C#N)cc1)O2 ZINC000587393552 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C#N)cn3)cc1)O2 ZINC000587393711 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C#N)cn3)cc1)O2 ZINC000587393712 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCCCC1)(c1ncccn1)O2 ZINC000587393719 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCCCC1)(c1ncccn1)O2 ZINC000587393720 FI Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587393782 FI Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587393783 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccn3)cc1)O2 ZINC000587393790 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccn3)cc1)O2 ZINC000587393791 FI Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccn1 ZINC000587393824 FI Annotated Anodyne COc1cc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccn1 ZINC000587393825 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H](C)N(Cc3ccccc3)[C@H](C)C1)O2 ZINC000587393904 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccncc1)O2 ZINC000587393940 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccncc1)O2 ZINC000587393942 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Oc3ncccn3)c1)O2 ZINC000587393949 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Oc3ncccn3)c1)O2 ZINC000587393954 FI Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587393987 FI Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587393988 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccccn1)O2 ZINC000587394005 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccccn1)O2 ZINC000587394006 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C#N)ccn3)cc1)O2 ZINC000587394007 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C#N)ccn3)cc1)O2 ZINC000587394008 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(C#N)cc3)n1)O2 ZINC000587394071 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(C#N)cc3)n1)O2 ZINC000587394072 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccncc3)cc1)O2 ZINC000587394093 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccncc3)cc1)O2 ZINC000587394094 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccc(C#N)c3)n1)O2 ZINC000587394097 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccc(C#N)c3)n1)O2 ZINC000587394098 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccnc3C#N)cc1)O2 ZINC000587394144 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccnc3C#N)cc1)O2 ZINC000587394145 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ncccn3)cc1)O2 ZINC000587394275 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ncccn3)cc1)O2 ZINC000587394276 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cc3)nc1)O2 ZINC000587394283 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cc3)nc1)O2 ZINC000587394284 FI Annotated Anodyne COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 ZINC000587394354 FI Annotated Anodyne COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 ZINC000587394356 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cn3)cc1)O2 ZINC000587394441 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cn3)cc1)O2 ZINC000587394442 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ncccc3C#N)cc1)O2 ZINC000587394476 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ncccc3C#N)cc1)O2 ZINC000587394477 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc3nc(C(C)(C)C)oc13)O2 ZINC000587394539 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc3nc(C(C)(C)C)oc13)O2 ZINC000587394540 FI Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 ZINC000587394599 FI Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 ZINC000587394600 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cccnc3)cc1)O2 ZINC000587394615 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cccnc3)cc1)O2 ZINC000587394616 FI Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 ZINC000587394650 FI Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 ZINC000587394651 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(=O)O)ccn3)cc1)O2 ZINC000587394680 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(=O)O)ccn3)cc1)O2 ZINC000587394681 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(C#N)cc3)nc1)O2 ZINC000587394728 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(C#N)cc3)nc1)O2 ZINC000587394729 FI Annotated Mild CC(=O)c1cccc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)nc12 ZINC000587395019 FI Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)nc12 ZINC000587395020 FI Annotated Anodyne CCOc1cc(N2CCCC2)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395171 FI Annotated Anodyne CCOc1cc(N2CCCC2)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395172 FI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCC1 ZINC000587395185 FI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCC1 ZINC000587395186 FI Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395346 FI Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395356 FI Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395378 FI Annotated Anodyne Cc1ccc([C@]2(Cc3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395380 FI Annotated Anodyne CCc1ccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587395493 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cccnc3)c1)O2 ZINC000587395611 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3cccnc3)c1)O2 ZINC000587395612 FI Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395806 FI Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395807 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cncc(C(=O)O)c3)cc1)O2 ZINC000587395809 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cncc(C(=O)O)c3)cc1)O2 ZINC000587395810 FI Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587395851 FI Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587395854 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3nc[nH]c3c1)O2 ZINC000587395979 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3nc[nH]c3c1)O2 ZINC000587395980 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2n[nH]c3cccc1c23 ZINC000587395985 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2n[nH]c3cccc1c23 ZINC000587395986 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cccnc1)O2 ZINC000587396065 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cccnc1)O2 ZINC000587396066 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3nc4ccccc4nc13)O2 ZINC000587396069 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3nc4ccccc4nc13)O2 ZINC000587396070 FI Annotated Bother CC(=O)c1ccc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2n1 ZINC000587396110 FI Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2n1 ZINC000587396112 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396140 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396141 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396142 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396143 FI Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396181 FI Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396182 FI Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396191 FI Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396192 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cncc(C#N)c3)cc1)O2 ZINC000587396204 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cncc(C#N)c3)cc1)O2 ZINC000587396206 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H](C)c3ccccc3)CC1)O2 ZINC000587396251 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H](C)c3ccccc3)CC1)O2 ZINC000587396252 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1C[C@@H](C)C[C@@H](C)C1)O2 ZINC000587396271 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@@H](C)C1)O2 ZINC000587396272 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@H](C)C1)O2 ZINC000587396273 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1C[C@H](C)C[C@@H](C)C1)O2 ZINC000587396274 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3c3ncccc13)O2 ZINC000587396287 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3c3ncccc13)O2 ZINC000587396288 FI Annotated Bother COc1ccc(-c2ccncc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396313 FI Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396314 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(C(C)(C)c1cccnc1)O2 ZINC000587396319 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(C(C)(C)c1cccnc1)O2 ZINC000587396320 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccncc3)Oc3ccccc31)O2 ZINC000587396325 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccncc3)Oc3ccccc31)O2 ZINC000587396326 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1c[nH]c3ccccc13)O2 ZINC000587396355 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1c[nH]c3ccccc13)O2 ZINC000587396356 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)O)c1)(C1CCCCC1)O2 ZINC000587396375 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)O)c1)(C1CCCCC1)O2 ZINC000587396376 FI Annotated Anodyne CCc1cccc2c([C@@]3(CC#N)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 ZINC000587396430 FI Annotated Mild CCc1cccc2c([C@]3(CC#N)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 ZINC000587396433 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)CC1(CCCN(C(=O)OC(C)(C)C)CCC1)O2 ZINC000587396470 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587396708 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587396710 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(C)c3C)CC1)O2 ZINC000587396721 FI Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397449 FI Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397450 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)O2 ZINC000587397482 FI Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397570 FI Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397571 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cc3ccccc3o1)O2 ZINC000587397630 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cc3ccccc3o1)O2 ZINC000587397633 FI Annotated Anodyne CCCOc1c(OCC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397853 FI Annotated Anodyne CCCOc1c(OCC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397856 FI Annotated Anodyne C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587397861 FI Annotated Mild C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587397866 FI Annotated Mild CCOc1cc(OCC)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587397876 FI Annotated Anodyne CCOc1cc(OCC)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587397884 FI Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397979 FI Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397982 FI Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397983 FI Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397984 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000587398036 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(=O)OC(C)(C)C)cc1)O2 ZINC000587398044 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(=O)OC(C)(C)C)cc1)O2 ZINC000587398046 FI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(C)C ZINC000587398050 FI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(C)C ZINC000587398051 FI Annotated Anodyne C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1O ZINC000587398202 FI Annotated Mild C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1O ZINC000587398208 FI Annotated Mild COc1ccccc1C[C@@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398241 FI Annotated Anodyne COc1ccccc1C[C@@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398243 FI Annotated Anodyne COc1ccccc1C[C@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398245 FI Annotated Anodyne COc1ccccc1C[C@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398247 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCC3)c(N)c1)O2 ZINC000587398453 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCC3)c(N)c1)O2 ZINC000587398455 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000587398456 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000587398458 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398634 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398637 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398639 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398641 FI Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 ZINC000587398652 FI Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 ZINC000587398654 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CN1CCCCC1)O2 ZINC000587398963 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CN1CCCCC1)O2 ZINC000587398968 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCCCC3)ccc1N)O2 ZINC000587398969 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCCCC3)ccc1N)O2 ZINC000587398970 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCC3)cc1)O2 ZINC000587399063 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCC3)cc1)O2 ZINC000587399068 FI Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399206 FI Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399207 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@H](C)C(=O)OC(C)(C)C)O2 ZINC000587399253 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@H](C)C(=O)OC(C)(C)C)O2 ZINC000587399254 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@@H](C)C(=O)OC(C)(C)C)O2 ZINC000587399255 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@@H](C)C(=O)OC(C)(C)C)O2 ZINC000587399256 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C)(C(=O)OC(C)(C)C)CC1)O2 ZINC000587399291 FI Annotated Anodyne CCOc1ccc(OCC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399323 FI Annotated Anodyne CCOc1ccc(OCC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399327 FI Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587399390 FI Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587399393 FI Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399408 FI Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399418 FI Annotated Anodyne CC[C@@H](C)Oc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399693 FI Annotated Anodyne CC[C@H](C)Oc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399694 FI Annotated Anodyne CC[C@H](C)Oc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399695 FI Annotated Anodyne CC[C@@H](C)Oc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399696 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC1CC1 ZINC000587399794 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC1CC1 ZINC000587399796 FI Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399923 FI Annotated Anodyne CCOC(OCC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399955 FI Annotated Anodyne CCOC(OCC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399957 FI Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399966 FI Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399967 FI Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399968 FI Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399969 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)c(C#N)c1)O2 ZINC000587400024 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)c(C#N)c1)O2 ZINC000587400025 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(Cc3ccccc3)[C@H](C)C1)O2 ZINC000587400042 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(Cc3ccccc3)[C@H](C)C1)O2 ZINC000587400043 FI Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400082 FI Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400083 FI Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400084 FI Annotated Anodyne C=CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587400108 FI Annotated Mild C=CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587400109 FI Annotated Mild C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400249 FI Annotated Mild C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400251 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2NC(=O)c2ccccc21 ZINC000587400274 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2NC(=O)c2ccccc21 ZINC000587400279 FI Annotated Anodyne C=C(C)COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587400281 FI Annotated Mild C=C(C)COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587400283 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(-c3ccccc3)cc21 ZINC000587400302 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(-c3ccccc3)cc21 ZINC000587400304 FI Annotated Anodyne CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400361 FI Annotated Anodyne CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400363 FI Annotated Anodyne CCCCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400494 FI Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400496 FI Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400497 FI Annotated Anodyne CCCCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400498 FI Annotated Anodyne CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587400611 FI Annotated Anodyne CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587400613 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCCN3C(C)C)O2 ZINC000587400665 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCCN3C(C)C)O2 ZINC000587400671 FI Annotated Anodyne CCCCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400702 FI Annotated Anodyne CCCCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400704 FI Annotated Anodyne COc1ccc([C@@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400740 FI Annotated Anodyne COc1ccc([C@@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400741 FI Annotated Anodyne COc1ccc([C@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400742 FI Annotated Anodyne COc1ccc([C@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400743 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)OC(C)(C)C)c1)O2 ZINC000587400794 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)OC(C)(C)C)c1)O2 ZINC000587400795 FI Annotated Anodyne CCOC(OCC)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400822 FI Annotated Anodyne CCOC(OCC)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400823 FI Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400840 FI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400841 FI Annotated Anodyne C=CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC=C)c1 ZINC000587400902 FI Annotated Mild C=CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC=C)c1 ZINC000587400904 FI Annotated Mild CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587400916 FI Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587400917 FI Annotated Anodyne C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC ZINC000587401020 FI Annotated Mild C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC ZINC000587401021 FI Annotated Mild COC(C)(Cc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587401045 FI Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587401046 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(C)C ZINC000587401118 FI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(C)C ZINC000587401121 FI Annotated Anodyne CCOc1cc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587401238 FI Annotated Anodyne CCOc1cc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587401239 FI Annotated Anodyne C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1OC ZINC000587401240 FI Annotated Mild C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1OC ZINC000587401241 FI Annotated Mild COc1ccc2ccc(OC)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587401355 FI Annotated Anodyne COc1ccc2ccc(OC)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587401361 FI Annotated Anodyne COc1cc2ccccc2c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587401371 FI Annotated Anodyne COc1cc2ccccc2c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587401374 FI Annotated Anodyne C#CCOc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401435 FI Annotated Mild C#CCOc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401437 FI Annotated Mild CC[C@@H](C)Oc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401466 FI Annotated Anodyne CC[C@H](C)Oc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401468 FI Annotated Anodyne CC[C@H](C)Oc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401470 FI Annotated Anodyne CC[C@@H](C)Oc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401471 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1N[C@@H]1c1ccccc1)O2 ZINC000587401531 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1N[C@@H]1c1ccccc1)O2 ZINC000587401533 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1N[C@H]1c1ccccc1)O2 ZINC000587401534 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1N[C@H]1c1ccccc1)O2 ZINC000587401535 FI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C ZINC000587401586 FI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C ZINC000587401588 FI Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401795 FI Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401803 FI Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401805 FI Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401806 FI Annotated Anodyne CCOc1cccc(OCC)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401832 FI Annotated Anodyne CCOc1cccc(OCC)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401881 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)O2 ZINC000587402132 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)O2 ZINC000587402133 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)O2 ZINC000587402134 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@@H](C1)N3Cc1ccccc1)O2 ZINC000587402135 FI Annotated Anodyne CCCN1CCCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587402177 FI Annotated Anodyne CCCN1CCCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587402187 FI Annotated Anodyne CO[C@@H]1C[C@@H](c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402201 FI Annotated Anodyne CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402202 FI Annotated Anodyne CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402203 FI Annotated Anodyne CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402206 FI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587402257 FI Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587402258 FI Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587402259 FI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587402260 FI Annotated Anodyne CCCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587402338 FI Annotated Anodyne CCCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587402341 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)OC(C)(C)C)cc1)O2 ZINC000587402487 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)OC(C)(C)C)cc1)O2 ZINC000587402488 FI Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402598 FI Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402599 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1C(=O)OC(C)(C)C)O2 ZINC000587402612 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1C(=O)OC(C)(C)C)O2 ZINC000587402613 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CCc2cc(O)ccc21 ZINC000587402718 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CCc2cc(O)ccc21 ZINC000587402722 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(OCc3ccccc3)CC1)O2 ZINC000587402732 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC3CCCC3)cc1O)O2 ZINC000587402867 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC3CCCC3)cc1O)O2 ZINC000587402868 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2C(=O)c2ccccc21 ZINC000587402983 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1(O)CCCCC1)O2 ZINC000587403049 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1(O)CCCCC1)O2 ZINC000587403051 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)c(O)c3)cc1)O2 ZINC000587403549 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)c(O)c3)cc1)O2 ZINC000587403558 FI Annotated Anodyne COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403653 FI Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403655 FI Annotated Anodyne CC[C@H]1c2cc(OC)ccc2CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403697 FI Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403698 FI Annotated Anodyne CC[C@H]1c2cc(OC)ccc2CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403699 FI Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403700 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(C=O)c1O)O2 ZINC000587403904 FI Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587404094 FI Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587404095 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(C=O)c1O)O2 ZINC000587404105 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](O)c1ccccc1)O2 ZINC000587404439 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](O)c1ccccc1)O2 ZINC000587404440 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)c1ccccc1)O2 ZINC000587404441 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](O)c1ccccc1)O2 ZINC000587404442 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1)(C(C)(C)O)O2 ZINC000587404560 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1)(C(C)(C)O)O2 ZINC000587404563 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](OCc3ccccc3)C1(C)C)O2 ZINC000587404645 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](OCc3ccccc3)C1(C)C)O2 ZINC000587404646 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](OCc3ccccc3)C1(C)C)O2 ZINC000587404648 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](OCc3ccccc3)C1(C)C)O2 ZINC000587404650 FI Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC2(C)C ZINC000587404761 FI Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC2(C)C ZINC000587404764 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccccc1)(c1ccccc1)O2 ZINC000587405022 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccccc1)(c1ccccc1)O2 ZINC000587405027 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C#Cc1ccccc1)(c1ccccc1)O2 ZINC000587405442 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C#Cc1ccccc1)(c1ccccc1)O2 ZINC000587405443 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cc3)cc1O)O2 ZINC000587405516 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cc3)cc1O)O2 ZINC000587405517 FI Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406311 FI Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406313 FI Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406345 FI Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406346 FI Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587406383 FI Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587406385 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)O2 ZINC000587406447 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(C(=O)O)c1)O2 ZINC000587406448 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2COc2ccccc21 ZINC000587406961 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2COc2ccccc21 ZINC000587406962 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3oc(C(=O)O)c(C)c31)O2 ZINC000587407076 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3oc(C(=O)O)c(C)c31)O2 ZINC000587407077 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc4c(cc31)CCCC4)O2 ZINC000587407540 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc4c(cc31)CCCC4)O2 ZINC000587407541 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)o1)O2 ZINC000587407564 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)cc3)o1)O2 ZINC000587407565 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CO[C@@H]1CCCCO1)O2 ZINC000587407566 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CO[C@@H]1CCCCO1)O2 ZINC000587407569 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CO[C@H]1CCCCO1)O2 ZINC000587407570 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CO[C@H]1CCCCO1)O2 ZINC000587407571 FI Annotated Anodyne CCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 ZINC000587407592 FI Annotated Anodyne CCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 ZINC000587407597 FI Annotated Anodyne CCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 ZINC000587407598 FI Annotated Anodyne CCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 ZINC000587407599 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(C)cc21 ZINC000587407737 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(C)cc21 ZINC000587407738 FI Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407796 FI Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407803 FI Annotated Anodyne COc1cc(SC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587407901 FI Annotated Anodyne COc1cc(SC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587407903 FI Annotated Anodyne CC[C@@]1(CSc2ccccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407916 FI Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407940 FI Annotated Bother CSC(=C[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)SC ZINC000587408066 FI Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)SC ZINC000587408067 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(=O)O)cc1)O2 ZINC000587408252 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cs1)O2 ZINC000587408323 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cs1)O2 ZINC000587408330 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1scc(Br)c1C)O2 ZINC000587408432 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1scc(Br)c1C)O2 ZINC000587408433 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1ccccc1[N+](=O)[O-])O2 ZINC000587408461 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1ccccc1[N+](=O)[O-])O2 ZINC000587408467 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1csc(Br)c1)O2 ZINC000587408505 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1csc(Br)c1)O2 ZINC000587408507 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(=O)O)cc1)O2 ZINC000587408531 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(-c3ccccc3)cc1)O2 ZINC000587408573 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(-c3ccccc3)cc1)O2 ZINC000587408574 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccccn3)o1)O2 ZINC000587408638 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccccn3)o1)O2 ZINC000587408639 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CN3CCCCC3)cs1)O2 ZINC000587408674 FI Annotated Anodyne CSC(=C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)SC ZINC000587408681 FI Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)SC ZINC000587408683 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CN3CCCCC3)cs1)O2 ZINC000587408687 FI Annotated Anodyne CSc1nc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1 ZINC000587408688 FI Annotated Anodyne CSc1nc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1 ZINC000587408693 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cc(O)ccc21 ZINC000587408757 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cc(O)ccc21 ZINC000587408758 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2c(C(=O)O)cccc21 ZINC000587408966 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2c(C(=O)O)cccc21 ZINC000587408967 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2-c2ccccc21 ZINC000587409014 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2-c2ccccc21 ZINC000587409015 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sccc1Br)O2 ZINC000587409076 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sccc1Br)O2 ZINC000587409078 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccsc1N)O2 ZINC000587409111 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccsc1N)O2 ZINC000587409120 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(Cl)cc1)O2 ZINC000587409139 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(Cl)cc1)O2 ZINC000587409140 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Br)cc1C)O2 ZINC000587409156 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Br)cc1C)O2 ZINC000587409159 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccccc1Cl)O2 ZINC000587409256 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccccc1Cl)O2 ZINC000587409257 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([C@H](C)C(=O)O)cc1)(C(C)C)O2 ZINC000587409430 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([C@@H](C)C(=O)O)cc1)(C(C)C)O2 ZINC000587409431 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([C@@H](C)C(=O)O)cc1)(C(C)C)O2 ZINC000587409432 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([C@H](C)C(=O)O)cc1)(C(C)C)O2 ZINC000587409433 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cccc(C(=O)O)c21 ZINC000587409467 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cccc(C(=O)O)c21 ZINC000587409468 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1C(=O)O)O2 ZINC000587409479 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1C(=O)O)O2 ZINC000587409480 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)(C)CC(=O)O)(c1ccccc1)O2 ZINC000587409496 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)(C)CC(=O)O)(c1ccccc1)O2 ZINC000587409497 FI Annotated Anodyne CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409519 FI Annotated Anodyne CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409520 FI Annotated Anodyne CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409521 FI Annotated Anodyne CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409522 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CN3CCCC3)cs1)O2 ZINC000587409553 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CN3CCCC3)cs1)O2 ZINC000587409555 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(SC(=O)N(C)C)c1)O2 ZINC000587409577 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(SC(=O)N(C)C)c1)O2 ZINC000587409579 FI Annotated Anodyne CSc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(O)nc2c1 ZINC000587409747 FI Annotated Anodyne CSc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(O)nc2c1 ZINC000587409750 FI Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409887 FI Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409888 FI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1SC ZINC000587409936 FI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1SC ZINC000587409937 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Cl)s1)O2 ZINC000587409971 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Cl)s1)O2 ZINC000587409972 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1sccc1-n1cccc1)O2 ZINC000587410009 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1sccc1-n1cccc1)O2 ZINC000587410013 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(C(=O)O)cc21 ZINC000587410278 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(C(=O)O)cc21 ZINC000587410279 FI Annotated Anodyne COc1sc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587410474 FI Annotated Anodyne COc1sc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587410475 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC(=O)N(C)C)cc1)O2 ZINC000587410498 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC(=O)N(C)C)cc1)O2 ZINC000587410499 FI Annotated Anodyne COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cn1 ZINC000587410523 FI Annotated Anodyne COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cn1 ZINC000587410526 FI Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410575 FI Annotated Anodyne CCC[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410576 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1cccc(Cl)c1)O2 ZINC000587410629 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1cccc(Cl)c1)O2 ZINC000587410630 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3c(c1)OCO3)O2 ZINC000587410826 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3c(c1)OCO3)O2 ZINC000587410828 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)s1)O2 ZINC000587410843 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)s1)O2 ZINC000587410845 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)(c1cccs1)O2 ZINC000587410946 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)(c1cccs1)O2 ZINC000587410948 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3nccs3)c1C)O2 ZINC000587410953 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3nccs3)c1C)O2 ZINC000587410957 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Cl)o1)[C@@H](C2)C3=O ZINC000587411045 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Cl)o1)[C@@H](C2)C3=O ZINC000587411048 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1cccs1)(c1cccs1)O2 ZINC000587411061 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1cccs1)(c1cccs1)O2 ZINC000587411065 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1sccc1Cl)O2 ZINC000587411210 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587411211 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587411215 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1sccc1Cl)O2 ZINC000587411216 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(Cl)s1)O2 ZINC000587411256 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(Cl)s1)O2 ZINC000587411264 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(Cl)s1)O2 ZINC000587411265 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(Cl)s1)O2 ZINC000587411268 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])c(Cl)s1)O2 ZINC000587411269 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])c(Cl)s1)O2 ZINC000587411270 FI Annotated Bother CCSc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411301 FI Annotated Bother CCSc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411302 FI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)COC(C)(C)O3)O2 ZINC000587411466 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)COC(C)(C)O3)O2 ZINC000587411467 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c(Br)c1)[C@@H](C2)C3=O ZINC000587411534 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c(Br)c1)[C@@H](C2)C3=O ZINC000587411541 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(CBr)c1)[C@@H](C2)C3=O ZINC000587411546 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cccc(CBr)c1)[C@@H](C2)C3=O ZINC000587411547 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](O)c1cccs1)O2 ZINC000587411584 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](O)c1cccs1)O2 ZINC000587411589 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](O)c1cccs1)O2 ZINC000587411591 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](O)c1cccs1)O2 ZINC000587411592 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1Br)[C@@H](C2)C3=O ZINC000587411629 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1Br)[C@@H](C2)C3=O ZINC000587411630 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(COc3ccccc3)n1)O2 ZINC000587411701 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(COc3ccccc3)n1)O2 ZINC000587411703 FI Annotated Anodyne C=C1CC([C@@]2(CCCCC3OCCO3)CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587411752 FI Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587411753 FI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)s1)O2 ZINC000587411786 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)s1)O2 ZINC000587411787 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN3CCCCC3)s1)O2 ZINC000587411811 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN3CCCCC3)s1)O2 ZINC000587411812 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)s1)O2 ZINC000587411817 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)s1)O2 ZINC000587411818 FI Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411823 FI Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411824 FI Annotated Anodyne CCOc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 ZINC000587411869 FI Annotated Anodyne CCOc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 ZINC000587411870 FI Annotated Anodyne CCOc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 ZINC000587411871 FI Annotated Anodyne CCOc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 ZINC000587411872 FI Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 ZINC000587411885 FI Annotated Anodyne CCCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 ZINC000587411886 FI Annotated Anodyne CCCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 ZINC000587411887 FI Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 ZINC000587411888 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cscn3)cc1)O2 ZINC000587412076 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cscn3)cc1)O2 ZINC000587412079 FI Annotated Anodyne CCCOc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412101 FI Annotated Anodyne CCCOc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412104 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](C)Br)O2 ZINC000587412106 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](C)Br)O2 ZINC000587412114 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](C)Br)O2 ZINC000587412117 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](C)Br)O2 ZINC000587412121 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cscc1Br)O2 ZINC000587412203 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(C)c1)[C@@H](C2)C3=O ZINC000587412204 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cscc1Br)O2 ZINC000587412205 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(C)c1)[C@@H](C2)C3=O ZINC000587412206 FI Annotated Anodyne COc1ccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 ZINC000587412282 FI Annotated Anodyne COc1ccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 ZINC000587412284 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccsc1)([C@H](O)c1ccsc1)O2 ZINC000587412560 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccsc1)([C@@H](O)c1ccsc1)O2 ZINC000587412561 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccsc1)([C@@H](O)c1ccsc1)O2 ZINC000587412563 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccsc1)([C@H](O)c1ccsc1)O2 ZINC000587412565 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1Br)[C@@H](C2)C3=O ZINC000587412580 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1Br)[C@@H](C2)C3=O ZINC000587412582 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cccc1Br)[C@@H](C2)C3=O ZINC000587412589 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cccc1Br)[C@@H](C2)C3=O ZINC000587412591 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1C)[C@@H](C2)C3=O ZINC000587412663 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1C)[C@@H](C2)C3=O ZINC000587412664 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1C)[C@@H](C2)C3=O ZINC000587412666 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1C)[C@@H](C2)C3=O ZINC000587412669 FI Annotated Anodyne COc1cccc([C@@]2(C[C@@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587412670 FI Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587412675 FI Annotated Anodyne COc1cccc([C@@]2(C[C@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587412677 FI Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587412679 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)ccc1Br)[C@@H](C2)C3=O ZINC000587412711 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)ccc1Br)[C@@H](C2)C3=O ZINC000587412713 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC3CCOCC3)cc1)O2 ZINC000587412808 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC3CCOCC3)cc1)O2 ZINC000587412809 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587412897 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587412899 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587412901 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587412902 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(-c3ccncc3)nc1C)O2 ZINC000587412970 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(-c3ccncc3)nc1C)O2 ZINC000587412972 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1sc3ccccc3c1C)O2 ZINC000587413129 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1sc3ccccc3c1C)O2 ZINC000587413134 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587413239 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587413240 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccccc1CCBr)[C@@H](C2)C3=O ZINC000587413314 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccccc1CCBr)[C@@H](C2)C3=O ZINC000587413315 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1C)[C@@H](C2)C3=O ZINC000587413405 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1C)[C@@H](C2)C3=O ZINC000587413406 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587413407 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587413408 FI Annotated Reactive COc1ccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 ZINC000587413415 FI Annotated Anodyne COc1ccc(-c2csc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 ZINC000587413416 FI Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587413435 FI Annotated Anodyne COc1ccccc1-c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587413436 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3scc(C4CC4)n13)O2 ZINC000587413645 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3scc(C4CC4)n13)O2 ZINC000587413648 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C)cc1Br)[C@@H](C2)C3=O ZINC000587413716 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C)cc1Br)[C@@H](C2)C3=O ZINC000587413718 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3C(=O)O)o1)O2 ZINC000587414041 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3C(=O)O)o1)O2 ZINC000587414042 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587414102 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587414103 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3sc4ccccc4n13)O2 ZINC000587414106 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3sc4ccccc4n13)O2 ZINC000587414108 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414136 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414139 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414143 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414145 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414147 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414149 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccncc3)nc1C)O2 ZINC000587414275 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccncc3)nc1C)O2 ZINC000587414276 FI Annotated Anodyne COc1cccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)c1 ZINC000587414279 FI Annotated Anodyne COc1cccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)c1 ZINC000587414280 FI Annotated Anodyne COc1ccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 ZINC000587414312 FI Annotated Anodyne COc1ccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 ZINC000587414313 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(C)c1)[C@@H](C2)C3=O ZINC000587414422 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(C)c1)[C@@H](C2)C3=O ZINC000587414425 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCOCC1)(c1ccccc1)O2 ZINC000587414464 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCOCC1)(c1ccccc1)O2 ZINC000587414466 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587414468 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587414473 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C(=O)O)c3)o1)O2 ZINC000587414573 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C(=O)O)c3)o1)O2 ZINC000587414576 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cscn1)O2 ZINC000587414719 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cscn1)O2 ZINC000587414721 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1cnc(Cl)s1)O2 ZINC000587414830 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1cnc(Cl)s1)O2 ZINC000587414833 FI Annotated Anodyne COc1ccccc1-c1csc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587414846 FI Annotated Anodyne COc1ccccc1-c1csc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587414848 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccsc2C(=O)c2ccsc21 ZINC000587414902 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C)c(Br)c1)[C@@H](C2)C3=O ZINC000587414904 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C)c(Br)c1)[C@@H](C2)C3=O ZINC000587414905 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccsc2C(=O)c2ccsc21 ZINC000587414909 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1C)[C@@H](C2)C3=O ZINC000587414920 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1C)[C@@H](C2)C3=O ZINC000587414921 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCCS2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414964 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCCS2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414973 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3ccco3)cc1)O2 ZINC000587415014 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3ccco3)cc1)O2 ZINC000587415015 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Nc3cccnc3)s1)O2 ZINC000587415119 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Nc3cccnc3)s1)O2 ZINC000587415120 FI Annotated Anodyne COc1ccccc1-c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587415125 FI Annotated Anodyne COc1ccccc1-c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587415126 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccccn3)nc1C)O2 ZINC000587415129 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccccn3)nc1C)O2 ZINC000587415130 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCCCC3)nc1C)O2 ZINC000587415165 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCCCC3)nc1C)O2 ZINC000587415166 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccsc1)(c1ccsc1)O2 ZINC000587415175 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccsc1)(c1ccsc1)O2 ZINC000587415176 FI Annotated Anodyne COc1cccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 ZINC000587415206 FI Annotated Anodyne COc1cccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 ZINC000587415208 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3nc(C)nc(C)c3c1C)O2 ZINC000587415355 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3nc(C)nc(C)c3c1C)O2 ZINC000587415356 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3nc(C)cc(C)c3c1N)O2 ZINC000587415442 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3nc(C)cc(C)c3c1N)O2 ZINC000587415443 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587415807 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587415808 FI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(SC(C)C)nc3sccn13)O2 ZINC000587415811 FI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(SC(C)C)nc3sccn13)O2 ZINC000587415812 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416396 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416397 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416420 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416421 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416457 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416458 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587416521 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(Cc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587416523 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587416571 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587416573 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416663 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416664 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC=C(Br)CC1)[C@@H](C2)C3=O ZINC000587416726 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1CC=C(Br)CC1)[C@@H](C2)C3=O ZINC000587416727 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC=C(Br)CC1)[C@@H](C2)C3=O ZINC000587416728 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1CC=C(Br)CC1)[C@@H](C2)C3=O ZINC000587416729 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)cc(Br)c1)[C@@H](C2)C3=O ZINC000587416809 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(Br)c1)[C@@H](C2)C3=O ZINC000587416810 FI Annotated Anodyne C=C(Cl)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416932 FI Annotated Mild C=C(Cl)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587416933 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)(Cc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587417070 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587417072 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4Cl)c1)[C@@H](C2)C3=O ZINC000587417250 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4Cl)c1)[C@@H](C2)C3=O ZINC000587417251 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4cccnc14)[C@@H](C2)C3=O ZINC000587417261 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4cccnc14)[C@@H](C2)C3=O ZINC000587417263 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417339 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417341 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417343 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417345 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587417368 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587417369 FI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCc4cccc(Br)c41)[C@@H](C2)C3=O ZINC000587417465 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cccc(Br)c41)[C@@H](C2)C3=O ZINC000587417466 FI Annotated Anodyne C=CCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587417501 FI Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587417503 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C4CC4)c1C)[C@@H](C2)C3=O ZINC000587417538 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C4CC4)c1C)[C@@H](C2)C3=O ZINC000587417543 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417774 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417775 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417776 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417777 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587417803 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587417804 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587417805 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](C)c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587417806 FI Annotated Anodyne CC[C@@H](C)n1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417848 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)cc(Br)c1)[C@@H](C2)C3=O ZINC000587417850 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cc(Br)c1)[C@@H](C2)C3=O ZINC000587417851 FI Annotated Anodyne CC[C@@H](C)n1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417853 FI Annotated Anodyne CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417855 FI Annotated Anodyne CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417857 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)cc1Cl)[C@@H](C2)C3=O ZINC000587417995 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)cc1Cl)[C@@H](C2)C3=O ZINC000587417997 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4Cl)no1)[C@@H](C2)C3=O ZINC000587418019 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4Cl)no1)[C@@H](C2)C3=O ZINC000587418020 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1Cl)[C@@H](C2)C3=O ZINC000587418031 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1Cl)[C@@H](C2)C3=O ZINC000587418032 FI Annotated Anodyne CCOc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418132 FI Annotated Reactive CCOc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418133 FI Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418134 FI Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418136 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587418208 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418214 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418215 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587418216 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418217 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418219 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccnc1Cl)[C@@H](C2)C3=O ZINC000587418238 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccnc1Cl)[C@@H](C2)C3=O ZINC000587418241 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)cc1Cl)[C@@H](C2)C3=O ZINC000587418527 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)cc1Cl)[C@@H](C2)C3=O ZINC000587418529 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C/N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418555 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418557 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C\N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418558 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418560 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418562 FI Annotated Mild COc1cc2c3c(c1)O[C@](CCC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418563 FI Annotated Mild CCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587418661 FI Annotated Reactive CCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587418666 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O ZINC000587418671 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1OC)[C@@H](C2)C3=O ZINC000587418693 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418700 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418701 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(O)cc1Cl)[C@@H](C2)C3=O ZINC000587418706 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](C2)C3=O ZINC000587418713 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4n1C(F)F)[C@@H](C2)C3=O ZINC000587418717 FI Annotated Anodyne CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418718 FI Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418724 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418725 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4n1C(F)F)[C@@H](C2)C3=O ZINC000587418726 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418727 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)cccc41)[C@@H](C2)C3=O ZINC000587418746 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(Br)cccc41)[C@@H](C2)C3=O ZINC000587418748 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418755 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418762 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418794 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418796 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4)[nH]c1Cl)[C@@H](C2)C3=O ZINC000587418802 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4)[nH]c1Cl)[C@@H](C2)C3=O ZINC000587418804 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418811 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418821 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418879 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418882 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587418896 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587418902 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587418904 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587418906 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418907 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418908 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418909 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(Cl)cc1O)[C@@H](C2)C3=O ZINC000587418915 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(Cl)cc1O)[C@@H](C2)C3=O ZINC000587418916 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418919 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncc4ccccc14)[C@@H](C2)C3=O ZINC000587418937 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ncc4ccccc14)[C@@H](C2)C3=O ZINC000587418939 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)cc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587418960 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)cc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587418961 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587419055 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587419056 FI Annotated Anodyne CCCCn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl ZINC000587419148 FI Annotated Anodyne CCCCn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1Cl ZINC000587419153 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](Br)c4ccccc41)[C@@H](C2)C3=O ZINC000587419157 FI Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@@H](Br)c4ccccc41)[C@@H](C2)C3=O ZINC000587419175 FI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C[C@@H](Br)c4ccccc41)[C@@H](C2)C3=O ZINC000587419176 FI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C[C@H](Br)c4ccccc41)[C@@H](C2)C3=O ZINC000587419179 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587419187 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587419190 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587419218 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587419221 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587419229 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587419230 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419232 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419234 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cc(OC)c1OC)[C@@H](C2)C3=O ZINC000587419255 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)cc(OC)c1OC)[C@@H](C2)C3=O ZINC000587419258 FI Annotated Anodyne C=CCOc1ccc(Cl)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419261 FI Annotated Mild C=CCOc1ccc(Cl)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419264 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccc(Cl)c4)no1)[C@@H](C2)C3=O ZINC000587419289 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4cccc(Cl)c4)no1)[C@@H](C2)C3=O ZINC000587419293 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(C(F)(F)F)cc1C)[C@@H](C2)C3=O ZINC000587419441 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(C(F)(F)F)cc1C)[C@@H](C2)C3=O ZINC000587419446 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587419452 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587419454 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc4cccnc14)[C@@H](C2)C3=O ZINC000587419457 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc4cccnc14)[C@@H](C2)C3=O ZINC000587419460 FI Annotated Anodyne CCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587419486 FI Annotated Anodyne CCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587419489 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419521 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419523 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419558 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419559 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccnc(C(F)(F)F)c14)[C@@H](C2)C3=O ZINC000587419568 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccnc(C(F)(F)F)c14)[C@@H](C2)C3=O ZINC000587419571 FI Annotated Anodyne CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587419577 FI Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587419583 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419607 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419609 FI Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419624 FI Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419628 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587419633 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587419637 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CF)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587419652 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CF)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587419655 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O ZINC000587419660 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419662 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O ZINC000587419663 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419664 FI Annotated Anodyne CCCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419703 FI Annotated Reactive CCCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419704 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419805 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419807 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419808 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419809 FI Annotated Mild COc1cc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587419956 FI Annotated Anodyne COc1cc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587419959 FI Annotated Anodyne CC[C@]1(c2cc(Cl)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420001 FI Annotated Anodyne CC[C@@]1(c2cc(Cl)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420002 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587420017 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587420019 FI Annotated Anodyne CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587420083 FI Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587420086 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587420127 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587420131 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587420186 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587420193 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587420195 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587420200 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(F)c1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420245 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420249 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587420269 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587420271 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420295 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420302 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420326 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420328 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cnc(Cl)cc4c1)[C@@H](C2)C3=O ZINC000587420340 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cnc(Cl)cc4c1)[C@@H](C2)C3=O ZINC000587420342 FI Annotated Anodyne COc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C(F)(F)F)c1 ZINC000587420374 FI Annotated Anodyne COc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C(F)(F)F)c1 ZINC000587420377 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(C)c(Cl)c(C)c41)[C@@H](C2)C3=O ZINC000587420417 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(C)c(Cl)c(C)c41)[C@@H](C2)C3=O ZINC000587420418 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(Cl)cc4)on1)[C@@H](C2)C3=O ZINC000587420498 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(Cl)cc4)on1)[C@@H](C2)C3=O ZINC000587420501 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CN=[N+]=[N-])(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420526 FI Annotated Clean COc1cc2c3c(c1)O[C@@](CN=[N+]=[N-])(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420528 FI Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O ZINC000587420531 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O ZINC000587420534 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1OC)[C@@H](C2)C3=O ZINC000587420558 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1OC)[C@@H](C2)C3=O ZINC000587420561 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)cc1C)[C@@H](C2)C3=O ZINC000587420653 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)cc1C)[C@@H](C2)C3=O ZINC000587420655 FI Annotated Anodyne CC[C@]1(c2ccccc2OC(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420662 FI Annotated Anodyne CC[C@@]1(c2ccccc2OC(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420664 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587420721 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587420738 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420756 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587420760 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587420763 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420765 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](CCc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420830 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420833 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(F)(F)F)[C@@H](C2)C3=O ZINC000587420856 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(F)(F)F)[C@@H](C2)C3=O ZINC000587420858 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cccc(Cl)c4n1)[C@@H](C2)C3=O ZINC000587420873 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(Cl)c4n1)[C@@H](C2)C3=O ZINC000587420875 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587420882 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587420886 FI Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420904 FI Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420909 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587420914 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587420920 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1Cl)[C@@H](C2)C3=O ZINC000587420922 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)nc1Cl)[C@@H](C2)C3=O ZINC000587420927 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420965 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420967 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587421046 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587421047 FI Annotated Anodyne C=CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587421081 FI Annotated Mild C=CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587421082 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccc(OCC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421090 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421092 FI Annotated Anodyne CCCCn1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421143 FI Annotated Anodyne CCCCn1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421144 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(Cl)ncc4c1)[C@@H](C2)C3=O ZINC000587421154 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Cl)ncc4c1)[C@@H](C2)C3=O ZINC000587421157 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4cccc(Cl)c4)CC1)[C@@H](C2)C3=O ZINC000587421226 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C/N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421230 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421233 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C\N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421235 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421236 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(O)c1Cl)[C@@H](C2)C3=O ZINC000587421270 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(O)c1Cl)[C@@H](C2)C3=O ZINC000587421271 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O ZINC000587421330 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O ZINC000587421333 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(Cl)ccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421356 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(Cl)ccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421358 FI Annotated Anodyne CCOc1cc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587421369 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O ZINC000587421370 FI Annotated Anodyne CCOc1cc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587421371 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O ZINC000587421373 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cc(C)c(Cl)c1C)[C@@H](C2)C3=O ZINC000587421384 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(C)c(Cl)c1C)[C@@H](C2)C3=O ZINC000587421385 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587421404 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587421406 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O ZINC000587421420 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(C(F)(F)F)cccc41)[C@@H](C2)C3=O ZINC000587421422 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)cc1Cl)[C@@H](C2)C3=O ZINC000587421475 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)cc1Cl)[C@@H](C2)C3=O ZINC000587421478 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587421493 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587421496 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587421517 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587421518 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)ccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587421523 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)ccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587421525 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421560 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421561 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587421600 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587421603 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421605 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421609 FI Annotated Anodyne CCOc1ccc(Cl)cc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421694 FI Annotated Anodyne CCOc1ccc(Cl)cc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421695 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587421716 FI Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(F)c(Br)c1)[C@@H](C2)C3=O ZINC000587421717 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587421718 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(Br)c1)[C@@H](C2)C3=O ZINC000587421722 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1N1CCCC1)[C@@H](C2)C3=O ZINC000587421799 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1N1CCCC1)[C@@H](C2)C3=O ZINC000587421801 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)cn1)[C@@H](C2)C3=O ZINC000587421856 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)cn1)[C@@H](C2)C3=O ZINC000587421857 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421886 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421889 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587421897 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587421899 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587421903 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587421905 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421910 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421911 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421912 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421913 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)cnc1Cl)[C@@H](C2)C3=O ZINC000587421977 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)cnc1Cl)[C@@H](C2)C3=O ZINC000587421979 FI Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CCl ZINC000587422063 FI Annotated Reactive CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CCl ZINC000587422066 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(F)cc(F)c(Cl)c1F)[C@@H](C2)C3=O ZINC000587422081 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(F)c(Cl)c1F)[C@@H](C2)C3=O ZINC000587422087 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587422200 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)(C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587422202 FI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587422252 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587422255 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)ccnc1Cl)[C@@H](C2)C3=O ZINC000587422277 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)ccnc1Cl)[C@@H](C2)C3=O ZINC000587422280 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1Cl)[C@@H](C2)C3=O ZINC000587422285 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587422286 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1Cl)[C@@H](C2)C3=O ZINC000587422287 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587422289 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4ccncc14)[C@@H](C2)C3=O ZINC000587422330 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4ccncc14)[C@@H](C2)C3=O ZINC000587422331 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422365 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422368 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c4cccnc14)[C@@H](C2)C3=O ZINC000587422385 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c4cccnc14)[C@@H](C2)C3=O ZINC000587422386 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422429 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422448 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422450 FI Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCCOc4c(C)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422451 FI Annotated Anodyne CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422499 FI Annotated Anodyne CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422501 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(N4CCCC4)cc1C)[C@@H](C2)C3=O ZINC000587422503 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(N4CCCC4)cc1C)[C@@H](C2)C3=O ZINC000587422506 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587422531 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587422534 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587422557 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587422560 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c4ccnc-4[nH]cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422571 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c4ccnc-4[nH]cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422572 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1OC(F)F)[C@@H](C2)C3=O ZINC000587422584 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1OC(F)F)[C@@H](C2)C3=O ZINC000587422586 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422617 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422619 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587422678 FI Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587422679 FI Annotated Mild COc1cc2c3c(c1)OC1(CCN(c4ccccc4Cl)CC1)[C@@H](C2)C3=O ZINC000587422708 FI Annotated Anodyne COc1ccc([C@@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422733 FI Annotated Reactive COc1ccc([C@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422737 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cnc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587422744 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587422747 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4nc(CCl)oc14)[C@@H](C2)C3=O ZINC000587422755 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1cccc4nc(CCl)oc14)[C@@H](C2)C3=O ZINC000587422757 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587422772 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587422775 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O ZINC000587422781 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O ZINC000587422783 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1cc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587422803 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1cc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587422805 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587422827 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587422828 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422841 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422842 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422853 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422855 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422873 FI Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587422878 FI Annotated Mild COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422919 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422921 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422922 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422923 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422924 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422927 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O ZINC000587422944 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O ZINC000587422947 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587422963 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587422965 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCNc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423053 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCNc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423057 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587423058 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587423060 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587423065 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587423066 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423075 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423078 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)ccc(C)c41)[C@@H](C2)C3=O ZINC000587423095 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)ccc(C)c41)[C@@H](C2)C3=O ZINC000587423098 FI Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OC ZINC000587423131 FI Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OC ZINC000587423133 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587423154 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587423155 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cccc(OC(C)C)c1)(C(F)F)[C@@H](C2)C3=O ZINC000587423161 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(OC(C)C)c1)(C(F)F)[C@@H](C2)C3=O ZINC000587423163 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4cccc(C)c14)[C@@H](C2)C3=O ZINC000587423180 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4cccc(C)c14)[C@@H](C2)C3=O ZINC000587423182 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cccc4cc[nH]c14)[C@@H](C2)C3=O ZINC000587423202 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cccc4cc[nH]c14)[C@@H](C2)C3=O ZINC000587423204 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c[nH]c4ncc(C(F)(F)F)cc14)[C@@H](C2)C3=O ZINC000587423225 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ncc(C(F)(F)F)cc14)[C@@H](C2)C3=O ZINC000587423227 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)cc1Cl)[C@@H](C2)C3=O ZINC000587423262 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587423263 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)cc1Cl)[C@@H](C2)C3=O ZINC000587423264 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587423265 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587423292 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587423293 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587423322 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587423323 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423341 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423342 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](Cl)CCCCC[C@H]1Cl)[C@@H](C2)C3=O ZINC000587423356 FI Annotated Reactive COc1cc2c3c(c1)OC1([C@H](Cl)CCCCC[C@H]1Cl)[C@@H](C2)C3=O ZINC000587423358 FI Annotated Reactive COc1cc2c3c(c1)OC1([C@@H](Cl)CCCCC[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587423360 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1OC)[C@@H](C2)C3=O ZINC000587423407 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1OC)[C@@H](C2)C3=O ZINC000587423408 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587423511 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O ZINC000587423526 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(Cl)ccc4n1C)[C@@H](C2)C3=O ZINC000587423527 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCNc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423550 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCNc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423551 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCCl)cc1)[C@@H](C2)C3=O ZINC000587423632 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCCCCl)cc1)[C@@H](C2)C3=O ZINC000587423635 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1O)[C@@H](C2)C3=O ZINC000587423667 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1O)[C@@H](C2)C3=O ZINC000587423669 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c(OC(F)F)c(C)c1)[C@@H](C2)C3=O ZINC000587423721 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OC(F)F)c(C)c1)[C@@H](C2)C3=O ZINC000587423727 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4ccnc(Cl)c4c1)[C@@H](C2)C3=O ZINC000587423734 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4ccnc(Cl)c4c1)[C@@H](C2)C3=O ZINC000587423738 FI Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OC ZINC000587423739 FI Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OC ZINC000587423742 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(Cl)nccc4c1)[C@@H](C2)C3=O ZINC000587423795 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(Cl)nccc4c1)[C@@H](C2)C3=O ZINC000587423797 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587423829 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587423831 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423893 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423894 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587423923 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587423924 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587423925 FI Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587423926 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(F)cccc1Br)[C@@H](C2)C3=O ZINC000587423987 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1Br)[C@@H](C2)C3=O ZINC000587423988 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(C1CCC(F)(F)CC1)[C@@H](C2)C3=O ZINC000587423999 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(C1CCC(F)(F)CC1)[C@@H](C2)C3=O ZINC000587424000 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OCC4CC4)c1)[C@@H](C2)C3=O ZINC000587424001 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587424008 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=COc4cc(C)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587424009 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424015 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424016 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OCC4CC4)c1)[C@@H](C2)C3=O ZINC000587424023 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424050 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424052 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](C#N)c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424104 FI Annotated Mild COc1cc2c3c(c1)O[C@H]([C@H](C#N)c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424106 FI Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@H](C#N)c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424108 FI Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@H](C#N)c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424110 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424122 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587424123 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424141 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424143 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587424154 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587424155 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c(C)cc1OC(F)F)[C@@H](C2)C3=O ZINC000587424166 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c(C)cc1OC(F)F)[C@@H](C2)C3=O ZINC000587424167 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424180 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424184 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4c(Cl)cc(C)cc41)[C@@H](C2)C3=O ZINC000587424190 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4c(Cl)cc(C)cc41)[C@@H](C2)C3=O ZINC000587424191 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587424198 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587424200 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O ZINC000587424210 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O ZINC000587424211 FI Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@@H](C#N)c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424250 FI Annotated Mild COc1cc2c3c(c1)O[C@H]([C@H](C#N)c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424252 FI Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@H](C#N)c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424254 FI Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@H](C#N)c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424256 FI Annotated Mild COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587424275 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587424278 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(CCc1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587424333 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587424338 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587424352 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587424355 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(F)c1Br)[C@@H](C2)C3=O ZINC000587424407 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1Br)[C@@H](C2)C3=O ZINC000587424410 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424412 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424440 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4ccc(Cl)cc4n1)[C@@H](C2)C3=O ZINC000587424450 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4ccc(Cl)cc4n1)[C@@H](C2)C3=O ZINC000587424451 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587424465 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587424468 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1OC(F)F)[C@@H](C2)C3=O ZINC000587424506 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1OC(F)F)[C@@H](C2)C3=O ZINC000587424508 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(F)c(C)cc1F)[C@@H](C2)C3=O ZINC000587424649 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(F)c(C)cc1F)[C@@H](C2)C3=O ZINC000587424650 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(CSC(F)F)o1)[C@@H](C2)C3=O ZINC000587424667 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(CSC(F)F)o1)[C@@H](C2)C3=O ZINC000587424668 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OCCF)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587424683 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OCCF)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587424684 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O ZINC000587424697 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O ZINC000587424698 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(OC4CCC4)c1)[C@@H](C2)C3=O ZINC000587424729 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(OC4CCC4)c1)[C@@H](C2)C3=O ZINC000587424730 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(F)cc1F)[C@@H](C2)C3=O ZINC000587424769 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(F)cc1F)[C@@H](C2)C3=O ZINC000587424770 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O ZINC000587424793 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O ZINC000587424794 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587424815 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587424816 FI Annotated Anodyne CC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424933 FI Annotated Anodyne CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424934 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCCF)cc1)[C@@H](C2)C3=O ZINC000587424987 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCCF)cc1)[C@@H](C2)C3=O ZINC000587424988 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(F)c1)[C@@H](C2)C3=O ZINC000587425223 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(F)c1)[C@@H](C2)C3=O ZINC000587425224 FI Annotated Anodyne CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425291 FI Annotated Anodyne CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425293 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587425308 FI Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587425309 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccc1F)[C@@H](C2)C3=O ZINC000587425499 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccc1F)[C@@H](C2)C3=O ZINC000587425500 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1Br)[C@@H](C2)C3=O ZINC000587425506 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1Br)[C@@H](C2)C3=O ZINC000587425507 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587425605 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587425606 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccncc4)cc1F)[C@@H](C2)C3=O ZINC000587425809 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccncc4)cc1F)[C@@H](C2)C3=O ZINC000587425810 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1N1CCCC1)[C@@H](C2)C3=O ZINC000587425969 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1N1CCCC1)[C@@H](C2)C3=O ZINC000587425970 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1F)[C@@H](C2)C3=O ZINC000587426127 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1F)[C@@H](C2)C3=O ZINC000587426128 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587426133 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587426134 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587426168 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587426169 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587426170 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587426171 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587426319 FI Annotated Mild COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587426323 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587426326 FI Annotated Mild COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587426327 FI Annotated Mild COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587426364 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587426365 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccco1)[C@@H](C2)C3=O ZINC000587426510 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccco1)[C@@H](C2)C3=O ZINC000587426511 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(F)cc4)cs1)[C@@H](C2)C3=O ZINC000587426549 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(F)cc4)cs1)[C@@H](C2)C3=O ZINC000587426551 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587426590 FI Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587426595 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587426736 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587426738 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427079 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427080 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cccnc1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427083 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427084 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccc(F)c4)s1)[C@@H](C2)C3=O ZINC000587427093 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccc(F)c4)s1)[C@@H](C2)C3=O ZINC000587427094 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCC4)c(F)c1)[C@@H](C2)C3=O ZINC000587427263 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCC4)c(F)c1)[C@@H](C2)C3=O ZINC000587427264 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4cc(F)c(F)cc41)[C@@H](C2)C3=O ZINC000587427521 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4cc(F)c(F)cc41)[C@@H](C2)C3=O ZINC000587427523 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)cc1F)[C@@H](C2)C3=O ZINC000587427729 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)cc1F)[C@@H](C2)C3=O ZINC000587427730 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587427768 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587427769 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(F)cc4)s1)[C@@H](C2)C3=O ZINC000587427945 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(F)cc4)s1)[C@@H](C2)C3=O ZINC000587427946 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O ZINC000587427949 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O ZINC000587427953 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O ZINC000587427980 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O ZINC000587427981 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587428012 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587428014 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587428169 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587428170 FI Annotated Mild COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587428171 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587428172 FI Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587428187 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587428188 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587428189 FI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587428191 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc4ccc(F)c(C)c4n1C)[C@@H](C2)C3=O ZINC000587428257 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccc(F)c(C)c4n1C)[C@@H](C2)C3=O ZINC000587428259 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1OCC1CC1)[C@@H](C2)C3=O ZINC000587428373 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1OCC1CC1)[C@@H](C2)C3=O ZINC000587428375 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccc(F)c4)n1)[C@@H](C2)C3=O ZINC000587428491 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4cccc(F)c4)n1)[C@@H](C2)C3=O ZINC000587428494 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)noc1C)[C@@H](C2)C3=O ZINC000587428497 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)noc1C)[C@@H](C2)C3=O ZINC000587428500 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1OCC1CC1)[C@@H](C2)C3=O ZINC000587428675 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1OCC1CC1)[C@@H](C2)C3=O ZINC000587428677 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587428702 FI Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587428703 FI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O ZINC000587429019 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1Br)[C@@H](C2)C3=O ZINC000587429024 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1Br)[C@@H](C2)C3=O ZINC000587429025 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O ZINC000587429026 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccc(F)cc5c41)[C@@H](C2)C3=O ZINC000587429028 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccc(F)cc5c41)[C@@H](C2)C3=O ZINC000587429030 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1C#N)[C@@H](C2)C3=O ZINC000587429235 FI Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1C#N)[C@@H](C2)C3=O ZINC000587429237 FI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCc4c1c1ccccc1n4C)[C@@H](C2)C3=O ZINC000587429266 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1c1ccccc1n4C)[C@@H](C2)C3=O ZINC000587429267 FI Annotated Anodyne CCCn1c(C)cc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587429390 FI Annotated Mild CCCn1c(C)cc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587429394 FI Annotated Mild COc1cc2c3c(c1)O[C@](c1cccc(F)c1)([C@H](C)CC#N)[C@@H](C2)C3=O ZINC000587429485 FI Annotated Mild COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)([C@H](C)CC#N)[C@@H](C2)C3=O ZINC000587429486 FI Annotated Mild COc1cc2c3c(c1)O[C@](c1cccc(F)c1)([C@@H](C)CC#N)[C@@H](C2)C3=O ZINC000587429487 FI Annotated Mild COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)([C@@H](C)CC#N)[C@@H](C2)C3=O ZINC000587429488 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(F)c4)nc1)[C@@H](C2)C3=O ZINC000587429528 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(F)c4)nc1)[C@@H](C2)C3=O ZINC000587429529 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587429549 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587429550 FI Annotated Anodyne CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587429555 FI Annotated Clean CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587429556 FI Annotated Clean COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587429581 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587429582 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O ZINC000587429774 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O ZINC000587429778 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(Br)c1)[C@@H](C2)C3=O ZINC000587429896 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(Br)c1)[C@@H](C2)C3=O ZINC000587429898 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587429994 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587430000 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(c4ccc(C#N)cc4)CC1)[C@@H](C2)C3=O ZINC000587430080 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc4cc(N(C)C)ccc4c1)[C@@H](C2)C3=O ZINC000587430103 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(N(C)C)ccc4c1)[C@@H](C2)C3=O ZINC000587430105 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587430124 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587430128 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(C#N)(c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587430136 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4C#N)o1)[C@@H](C2)C3=O ZINC000587430239 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4C#N)o1)[C@@H](C2)C3=O ZINC000587430243 FI Annotated Mild C=CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(F)cc21 ZINC000587430248 FI Annotated Mild C=CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(F)cc21 ZINC000587430249 FI Annotated Mild C#CCn1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587430341 FI Annotated Mild C#CCn1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587430342 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C#N)c4)o1)[C@@H](C2)C3=O ZINC000587430490 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C#N)c4)o1)[C@@H](C2)C3=O ZINC000587430491 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587430698 FI Annotated Bother COc1cc2c3c(c1)O[C@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587430699 FI Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430896 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430899 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(Cc4ccccn4)c1C)[C@@H](C2)C3=O ZINC000587430967 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(Cc4ccccn4)c1C)[C@@H](C2)C3=O ZINC000587430969 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)c4ccccc14)[C@@H](C2)C3=O ZINC000587430990 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)c4ccccc14)[C@@H](C2)C3=O ZINC000587430991 FI Annotated Mild CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587431217 FI Annotated Anodyne CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587431218 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431224 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431228 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431232 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H](C)c1cn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431236 FI Annotated Anodyne CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(OC)ccc21 ZINC000587431329 FI Annotated Anodyne CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(OC)ccc21 ZINC000587431336 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O ZINC000587431414 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O ZINC000587431418 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1n(C)c1ccccc41)[C@@H](C2)C3=O ZINC000587431460 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1n(C)c1ccccc41)[C@@H](C2)C3=O ZINC000587431461 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ncccc4C)c1C)[C@@H](C2)C3=O ZINC000587431496 FI Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ncccc4C)c1C)[C@@H](C2)C3=O ZINC000587431500 FI Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(C)ccn4)c1C)[C@@H](C2)C3=O ZINC000587431723 FI Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(C)ccn4)c1C)[C@@H](C2)C3=O ZINC000587431724 FI Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc4ccccc4c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431767 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc4ccccc4c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431771 FI Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc4cc([N+](=O)[O-])ccc4o1)[C@@H](C2)C3=O ZINC000587431853 FI Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cc4cc([N+](=O)[O-])ccc4o1)[C@@H](C2)C3=O ZINC000587431854 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(C(C)(C)C)nc1C(C)C)[C@@H](C2)C3=O ZINC000587432109 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(C)(C)C)nc1C(C)C)[C@@H](C2)C3=O ZINC000587432110 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O ZINC000587432121 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4cccc(C)c4)c1C)[C@@H](C2)C3=O ZINC000587432122 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(Cc4cccnc4)c1C)[C@@H](C2)C3=O ZINC000587432283 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(Cc4cccnc4)c1C)[C@@H](C2)C3=O ZINC000587432284 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1cccc(N)c1)(C(C)C)[C@@H](C2)C3=O ZINC000587432381 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1cccc(N)c1)(C(C)C)[C@@H](C2)C3=O ZINC000587432382 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587432433 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587432441 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1C(C)C)[C@@H](C2)C3=O ZINC000587433169 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1C(C)C)[C@@H](C2)C3=O ZINC000587433170 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1CC(C)C)[C@@H](C2)C3=O ZINC000587433240 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1CC(C)C)[C@@H](C2)C3=O ZINC000587433241 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587433275 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587433276 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4C)c1C)[C@@H](C2)C3=O ZINC000587433389 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4C)c1C)[C@@H](C2)C3=O ZINC000587433390 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(C(C)C)cc4)c1)[C@@H](C2)C3=O ZINC000587433417 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(C(C)C)cc4)c1)[C@@H](C2)C3=O ZINC000587433418 FI Annotated Anodyne CCCCn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587433455 FI Annotated Anodyne CCCCn1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587433456 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C)ccc1N)[C@@H](C2)C3=O ZINC000587433574 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C)ccc1N)[C@@H](C2)C3=O ZINC000587433576 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C)cc1N)[C@@H](C2)C3=O ZINC000587433651 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C)cc1N)[C@@H](C2)C3=O ZINC000587433652 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4cc(N)ccc41)[C@@H](C2)C3=O ZINC000587433737 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4cc(N)ccc41)[C@@H](C2)C3=O ZINC000587433738 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434088 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434089 FI Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc(N)cc41)[C@@H](C2)C3=O ZINC000587434312 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc(N)cc41)[C@@H](C2)C3=O ZINC000587434314 FI Annotated Anodyne CCc1ccc(N2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587434528 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4cncc(C)n4)c1)[C@@H](C2)C3=O ZINC000587434891 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4cncc(C)n4)c1)[C@@H](C2)C3=O ZINC000587434901 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccnc4)cc1)[C@@H](C2)C3=O ZINC000587434938 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccnc4)cc1)[C@@H](C2)C3=O ZINC000587434942 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccncc1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587435004 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccncc1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587435006 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccccn4)c1)[C@@H](C2)C3=O ZINC000587435148 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccccn4)c1)[C@@H](C2)C3=O ZINC000587435149 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(C)cc(C)c4nc1O)[C@@H](C2)C3=O ZINC000587435192 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)cc(C)c4nc1O)[C@@H](C2)C3=O ZINC000587435195 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc(-c4ccccc4)oc1C)[C@@H](C2)C3=O ZINC000587435264 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc(-c4ccccc4)oc1C)[C@@H](C2)C3=O ZINC000587435267 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1CCCCC1)(c1ncccn1)[C@@H](C2)C3=O ZINC000587435310 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1CCCCC1)(c1ncccn1)[C@@H](C2)C3=O ZINC000587435311 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587435447 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587435448 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccccc4c4ncccc14)[C@@H](C2)C3=O ZINC000587435567 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4c4ncccc14)[C@@H](C2)C3=O ZINC000587435568 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cccnc4)c1)[C@@H](C2)C3=O ZINC000587435601 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cccnc4)c1)[C@@H](C2)C3=O ZINC000587435602 FI Annotated Anodyne CCOc1ccc2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2c1 ZINC000587435603 FI Annotated Anodyne CCOc1ccc2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2c1 ZINC000587435605 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cccnc1)[C@@H](C2)C3=O ZINC000587435632 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cccnc1)[C@@H](C2)C3=O ZINC000587435641 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cc4)nc1)[C@@H](C2)C3=O ZINC000587435738 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cc4)nc1)[C@@H](C2)C3=O ZINC000587435739 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C)c1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587435761 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C)c1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587435763 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587435775 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587435776 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccc(C#N)c4)n1)[C@@H](C2)C3=O ZINC000587435830 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccc(C#N)c4)n1)[C@@H](C2)C3=O ZINC000587435831 FI Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O ZINC000587435845 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O ZINC000587435847 FI Annotated Anodyne CCc1ccc(-c2cnc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587435850 FI Annotated Anodyne CCc1ccc(-c2cnc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587435854 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4ccc(C(C)=O)nc14)[C@@H](C2)C3=O ZINC000587435887 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4ccc(C(C)=O)nc14)[C@@H](C2)C3=O ZINC000587435889 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC4CCCCC4)nc1)[C@@H](C2)C3=O ZINC000587435995 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC4CCCCC4)nc1)[C@@H](C2)C3=O ZINC000587435996 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C#N)cn4)cc1)[C@@H](C2)C3=O ZINC000587436047 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C#N)cn4)cc1)[C@@H](C2)C3=O ZINC000587436048 FI Annotated Mild COc1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 ZINC000587436051 FI Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 ZINC000587436052 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccnc4C#N)cc1)[C@@H](C2)C3=O ZINC000587436059 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccnc4C#N)cc1)[C@@H](C2)C3=O ZINC000587436060 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccc(C)cc4C)o1)[C@@H](C2)C3=O ZINC000587436070 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccc(C)cc4C)o1)[C@@H](C2)C3=O ZINC000587436072 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccccn4)c1)[C@@H](C2)C3=O ZINC000587436084 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccncc1)[C@@H](C2)C3=O ZINC000587436085 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccncc1)[C@@H](C2)C3=O ZINC000587436086 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccccn4)c1)[C@@H](C2)C3=O ZINC000587436098 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4cccc(C(C)=O)c4n1)[C@@H](C2)C3=O ZINC000587436137 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4cccc(C(C)=O)c4n1)[C@@H](C2)C3=O ZINC000587436138 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccc(C)c(C)c4)o1)[C@@H](C2)C3=O ZINC000587436151 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccc(C)c(C)c4)o1)[C@@H](C2)C3=O ZINC000587436152 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccccn1)[C@@H](C2)C3=O ZINC000587436213 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccccn1)[C@@H](C2)C3=O ZINC000587436214 FI Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436273 FI Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436274 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587436285 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587436286 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cccnc1)[C@@H](C2)C3=O ZINC000587436345 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cccnc1)[C@@H](C2)C3=O ZINC000587436346 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccncc4)ccc1OC)[C@@H](C2)C3=O ZINC000587436371 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccncc4)ccc1OC)[C@@H](C2)C3=O ZINC000587436372 FI Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)N4c1ccccc1)[C@@H](C2)C3=O ZINC000587436404 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587436443 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587436444 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cncc(C)n4)cc1)[C@@H](C2)C3=O ZINC000587436463 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cncc(C)n4)cc1)[C@@H](C2)C3=O ZINC000587436464 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C4CCCCC4)nc1)[C@@H](C2)C3=O ZINC000587436537 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C4CCCCC4)nc1)[C@@H](C2)C3=O ZINC000587436538 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O ZINC000587436541 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O ZINC000587436542 FI Annotated Anodyne CCOc1nc2ccccc2cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436561 FI Annotated Anodyne CCOc1nc2ccccc2cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436562 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O ZINC000587436665 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O ZINC000587436671 FI Annotated Anodyne CCCOc1ccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 ZINC000587436687 FI Annotated Anodyne CCCOc1ccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 ZINC000587436689 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cncc4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O ZINC000587436849 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cncc4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O ZINC000587436850 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(C#N)cc4)n1)[C@@H](C2)C3=O ZINC000587436910 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(C#N)cc4)n1)[C@@H](C2)C3=O ZINC000587436911 FI Annotated Mild COc1ccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 ZINC000587436993 FI Annotated Anodyne COc1ccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 ZINC000587436995 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cn4)cc1)[C@@H](C2)C3=O ZINC000587437007 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cn4)cc1)[C@@H](C2)C3=O ZINC000587437009 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587437015 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587437017 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1cccnc1)[C@@H](C2)C3=O ZINC000587437034 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1cccnc1)[C@@H](C2)C3=O ZINC000587437035 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cncc(C#N)c4)cc1)[C@@H](C2)C3=O ZINC000587437049 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(-c4cncc(C#N)c4)cc1)[C@@H](C2)C3=O ZINC000587437051 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccco4)n4ccccc14)[C@@H](C2)C3=O ZINC000587437207 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccco4)n4ccccc14)[C@@H](C2)C3=O ZINC000587437208 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccnc(OC)c1)[C@@H](C2)C3=O ZINC000587437236 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccnc(OC)c1)[C@@H](C2)C3=O ZINC000587437237 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C#N)ccn4)cc1)[C@@H](C2)C3=O ZINC000587437244 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C#N)ccn4)cc1)[C@@H](C2)C3=O ZINC000587437245 FI Annotated Mild COc1ccc(-c2ccncc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437321 FI Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437322 FI Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437370 FI Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437371 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O ZINC000587437380 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O ZINC000587437381 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4nc5ccccc5nc14)[C@@H](C2)C3=O ZINC000587437400 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc4nc5ccccc5nc14)[C@@H](C2)C3=O ZINC000587437401 FI Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccnc4)cc1)[C@@H](C2)C3=O ZINC000587437402 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccnc4)cc1)[C@@H](C2)C3=O ZINC000587437403 FI Annotated Anodyne COc1cc2c3c(c1)OC1(c4ccccc4N(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587437414 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4cc(C)cc(C)c4)CC1)[C@@H](C2)C3=O ZINC000587437507 FI Annotated Anodyne CCc1cccc2c([C@@]3(CC#N)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587437577 FI Annotated Mild CCc1cccc2c([C@]3(CC#N)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587437578 FI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCc4[nH]c5ccc(C)cc5c4C1)[C@@H](C2)C3=O ZINC000587437726 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4[nH]c5ccc(C)cc5c4C1)[C@@H](C2)C3=O ZINC000587437727 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1[nH]c(-c4ccccc4)nc1C)[C@@H](C2)C3=O ZINC000587437805 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1[nH]c(-c4ccccc4)nc1C)[C@@H](C2)C3=O ZINC000587437808 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(C)(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587438065 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1c[nH]c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587438164 FI Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1c[nH]c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587438168 FI Annotated Mild C=C(C)COc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587438210 FI Annotated Mild C=C(C)COc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587438214 FI Annotated Mild CC[C@@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587438221 FI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587438222 FI Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587438223 FI Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587438225 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccc(C)cc5c41)[C@@H](C2)C3=O ZINC000587438303 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccc(C)cc5c41)[C@@H](C2)C3=O ZINC000587438304 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O ZINC000587438431 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O ZINC000587438434 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587438562 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1C[C@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587438564 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1N1C[C@@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587438566 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1C[C@@H](C)C[C@H](C)C1)[C@@H](C2)C3=O ZINC000587438568 FI Annotated Anodyne CCc1ccc(-c2c[nH]nc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438577 FI Annotated Anodyne CCc1ccc(-c2c[nH]nc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438578 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438600 FI Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438601 FI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCNc4cc5ccccc5cc41)[C@@H](C2)C3=O ZINC000587438695 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4cc5ccccc5cc41)[C@@H](C2)C3=O ZINC000587438700 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCN([C@H](C)c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587438714 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCN([C@@H](C)c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587438719 FI Annotated Anodyne CCc1ccc(-c2n[nH]cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438738 FI Annotated Anodyne CCc1ccc(-c2n[nH]cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438739 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4cccc(C)c4C)CC1)[C@@H](C2)C3=O ZINC000587438839 FI Annotated Anodyne CC[C@H](OC)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438890 FI Annotated Anodyne CC[C@@H](OC)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438891 FI Annotated Anodyne CC[C@@H](OC)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438892 FI Annotated Anodyne CC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438893 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587438915 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587438919 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587438938 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587438940 FI Annotated Anodyne CC[C@H](C)Oc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439051 FI Annotated Anodyne CC[C@@H](C)Oc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439052 FI Annotated Anodyne CC[C@H](C)Oc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439054 FI Annotated Anodyne CC[C@@H](C)Oc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439057 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587439159 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587439160 FI Annotated Anodyne CCOc1ccc(OCC)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587439335 FI Annotated Anodyne CCOc1ccc(OCC)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587439341 FI Annotated Anodyne CCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587439451 FI Annotated Anodyne CCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587439457 FI Annotated Anodyne C=C(C)COc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439486 FI Annotated Mild C=C(C)COc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439487 FI Annotated Mild CCCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439761 FI Annotated Anodyne CCCCCC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439762 FI Annotated Anodyne CCCCCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439763 FI Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439764 FI Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 ZINC000587439856 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccco1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439859 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccco1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439861 FI Annotated Anodyne CCCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 ZINC000587439896 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587440090 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587440092 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587440093 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587440096 FI Annotated Anodyne COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440146 FI Annotated Anodyne COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440147 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587440200 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587440201 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587440202 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](OCc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587440203 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587440388 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587440390 FI Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587440447 FI Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587440552 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCC(C)C)c1)[C@@H](C2)C3=O ZINC000587440685 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC(C)C)c1)[C@@H](C2)C3=O ZINC000587440689 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1N1CCCCCC1)[C@@H](C2)C3=O ZINC000587440712 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1N1CCCCCC1)[C@@H](C2)C3=O ZINC000587440717 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1CCCCCC1)[C@@H](C2)C3=O ZINC000587440725 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1N1CCCCCC1)[C@@H](C2)C3=O ZINC000587440729 FI Annotated Anodyne CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587440740 FI Annotated Anodyne CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587440744 FI Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(C)C ZINC000587440750 FI Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(C)C ZINC000587440752 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587440806 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587440809 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587440818 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc(OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587440823 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C(=C(C)C)NCC4)[C@@H](C2)C3=O ZINC000587440830 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C(=C(C)C)NCC4)[C@@H](C2)C3=O ZINC000587440832 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)c(C#N)c1)[C@@H](C2)C3=O ZINC000587440995 FI Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)c(C#N)c1)[C@@H](C2)C3=O ZINC000587440996 FI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC(C)(C)c4cc(OC)ccc41)[C@@H](C2)C3=O ZINC000587441003 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)c4cc(OC)ccc41)[C@@H](C2)C3=O ZINC000587441006 FI Annotated Anodyne C=CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC=C ZINC000587441064 FI Annotated Mild C=CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC=C ZINC000587441073 FI Annotated Mild C#CCOc1ccc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441090 FI Annotated Mild C#CCOc1ccc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441093 FI Annotated Mild COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587441185 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587441187 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587441189 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587441192 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1OC)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587441197 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1OC)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587441203 FI Annotated Anodyne COc1cccc([C@@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441213 FI Annotated Anodyne COc1cccc([C@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441215 FI Annotated Anodyne C=CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587441285 FI Annotated Mild C=CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587441288 FI Annotated Mild COC(=O)CCCCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441415 FI Annotated Anodyne COC(=O)CCCCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441417 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587441424 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587441427 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccccc4)C[C@H]1OC)[C@@H](C2)C3=O ZINC000587441441 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccccc4)C[C@@H]1OC)[C@@H](C2)C3=O ZINC000587441479 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccccc4)C[C@H]1OC)[C@@H](C2)C3=O ZINC000587441481 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccccc4)C[C@@H]1OC)[C@@H](C2)C3=O ZINC000587441483 FI Annotated Anodyne C=CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1O ZINC000587441493 FI Annotated Mild C=CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1O ZINC000587441499 FI Annotated Mild CCCCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441674 FI Annotated Anodyne CCCCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441678 FI Annotated Anodyne CCCCOc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441797 FI Annotated Anodyne CCCCOc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441798 FI Annotated Anodyne CCOc1ccc([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441834 FI Annotated Anodyne CCOc1ccc([C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441836 FI Annotated Anodyne CC[C@@]1(c2ccc([C@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441886 FI Annotated Anodyne CC[C@]1(c2ccc([C@@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441887 FI Annotated Anodyne CC[C@]1(c2ccc([C@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441888 FI Annotated Anodyne CC[C@@]1(c2ccc([C@@H](C)OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441889 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O ZINC000587441992 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O ZINC000587441993 FI Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 ZINC000587442019 FI Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 ZINC000587442020 FI Annotated Anodyne CCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587442021 FI Annotated Anodyne CCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587442028 FI Annotated Anodyne CCCCCCCCOC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442136 FI Annotated Mild CCCCCCCCOC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442138 FI Annotated Mild COc1cc2c3c(c1)O[C@]1(C[C@@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587442342 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587442344 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587442347 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](Oc4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587442350 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1CN1CCCCC1)[C@@H](C2)C3=O ZINC000587442372 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1CN1CCCCC1)[C@@H](C2)C3=O ZINC000587442373 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587442409 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587442411 FI Annotated Anodyne CCOC(OCC)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442469 FI Annotated Anodyne CCOC(OCC)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442470 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC4CCCC4)cc1O)[C@@H](C2)C3=O ZINC000587442564 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC4CCCC4)cc1O)[C@@H](C2)C3=O ZINC000587442571 FI Annotated Anodyne CCOC(OCC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442850 FI Annotated Anodyne CCOC(OCC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442852 FI Annotated Anodyne CC[C@@H](C)Oc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587442902 FI Annotated Anodyne CC[C@@H](C)Oc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587442905 FI Annotated Anodyne CC[C@H](C)Oc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587442906 FI Annotated Anodyne CC[C@H](C)Oc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587442908 FI Annotated Anodyne CCO[C@@H](C)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442910 FI Annotated Anodyne CCO[C@H](C)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442911 FI Annotated Anodyne CCO[C@@H](C)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442912 FI Annotated Anodyne CCO[C@H](C)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442914 FI Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443516 FI Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443519 FI Annotated Anodyne CCOc1cc(OCC)cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443653 FI Annotated Anodyne CCOc1cc(OCC)cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443659 FI Annotated Anodyne CCCOc1c(OCC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443689 FI Annotated Anodyne CCCOc1c(OCC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443692 FI Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443758 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC4CC4)c(C)c1)[C@@H](C2)C3=O ZINC000587443759 FI Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443761 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC4CC4)c(C)c1)[C@@H](C2)C3=O ZINC000587443762 FI Annotated Anodyne CC[C@H]1c2cc(OC)ccc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443764 FI Annotated Anodyne CC[C@H]1c2cc(OC)ccc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443768 FI Annotated Anodyne COc1ccc([C@@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443778 FI Annotated Anodyne COc1ccc([C@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443782 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](COCc1ccccc1)(C(C)C)[C@@H](C2)C3=O ZINC000587443783 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](COCc1ccccc1)(C(C)C)[C@@H](C2)C3=O ZINC000587443787 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)cc1C)[C@@H](C2)C3=O ZINC000587443873 FI Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)cc1C)[C@@H](C2)C3=O ZINC000587443875 FI Annotated Clean CCOc1cccc(OCC)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443985 FI Annotated Anodyne CCOc1cccc(OCC)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443986 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587444012 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587444013 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587444014 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587444015 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C=O)cc1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587444073 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C=O)cc1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587444091 FI Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444114 FI Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444117 FI Annotated Anodyne C=CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC ZINC000587444131 FI Annotated Mild C=CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC ZINC000587444134 FI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1OCC1CC1)[C@@H](C2)C3=O ZINC000587444179 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1OCC1CC1)[C@@H](C2)C3=O ZINC000587444182 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCCN4C(C)C)[C@@H](C2)C3=O ZINC000587444417 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCCN4C(C)C)[C@@H](C2)C3=O ZINC000587444419 FI Annotated Anodyne CCCN1CCCc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587444427 FI Annotated Anodyne CCCN1CCCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587444428 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(OCc4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587444917 FI Annotated Anodyne COc1ccc2c(c1)CCCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444921 FI Annotated Anodyne COc1ccc2c(c1)CCCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444922 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)CCCC4)[C@@H](C2)C3=O ZINC000587445016 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)CCCC4)[C@@H](C2)C3=O ZINC000587445017 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)c(C)c(C=O)c(C)c1C)[C@@H](C2)C3=O ZINC000587445044 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(C)c(C=O)c(C)c1C)[C@@H](C2)C3=O ZINC000587445045 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)ccc1OC)[C@@H](C2)C3=O ZINC000587445133 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)ccc1OC)[C@@H](C2)C3=O ZINC000587445136 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1OC)[C@@H](C2)C3=O ZINC000587445158 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1OC)[C@@H](C2)C3=O ZINC000587445161 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1OC)(C(C)C)[C@@H](C2)C3=O ZINC000587445219 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587445221 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587445222 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1OC)(C(C)C)[C@@H](C2)C3=O ZINC000587445224 FI Annotated Anodyne CCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 ZINC000587445378 FI Annotated Anodyne CCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)CCC2 ZINC000587445380 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587445426 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587445428 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C#Cc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587445546 FI Annotated Mild COc1cc2c3c(c1)O[C@](C#Cc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587445547 FI Annotated Mild COc1cc2c3c(c1)O[C@](c1cccc(C=O)c1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587445751 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C=O)c1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587445753 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587445902 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587445907 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(C)c(C(C)=O)c1C)[C@@H](C2)C3=O ZINC000587446099 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C)c(C(C)=O)c1C)[C@@H](C2)C3=O ZINC000587446100 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)cc(C)c(C=O)c1C)[C@@H](C2)C3=O ZINC000587446598 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)cc(C)c(C=O)c1C)[C@@H](C2)C3=O ZINC000587446599 FI Annotated Anodyne CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447203 FI Annotated Anodyne CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447204 FI Annotated Anodyne CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447205 FI Annotated Anodyne CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447206 FI Annotated Anodyne COc1cc2c3c(c1)OC1(c4ccccc4CCc4ccccc41)[C@@H](C2)C3=O ZINC000587447801 FI Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447807 FI Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447808 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(C4CCC(=O)CC4)CC1)[C@@H](C2)C3=O ZINC000587447861 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O ZINC000587447889 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O ZINC000587447891 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587447952 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587447954 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCC(C)(C)O4)[C@@H](C2)C3=O ZINC000587448048 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCC(C)(C)O4)[C@@H](C2)C3=O ZINC000587448051 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(O)cc41)[C@@H](C2)C3=O ZINC000587448299 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(O)cc41)[C@@H](C2)C3=O ZINC000587448300 FI Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(c4ccc(O)cc4)CC1)[C@@H](C2)C3=O ZINC000587448487 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448539 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448540 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587448545 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587448546 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)s1)[C@@H](C2)C3=O ZINC000587448682 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)s1)[C@@H](C2)C3=O ZINC000587448684 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C)ccc1O)[C@@H](C2)C3=O ZINC000587448870 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C)ccc1O)[C@@H](C2)C3=O ZINC000587448871 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cc4ccccc4)ccc1O)[C@@H](C2)C3=O ZINC000587449154 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cc4ccccc4)ccc1O)[C@@H](C2)C3=O ZINC000587449157 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4cccc(C(=O)O)c14)[C@@H](C2)C3=O ZINC000587449195 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4cccc(C(=O)O)c14)[C@@H](C2)C3=O ZINC000587449218 FI Annotated Anodyne CCSc1ccc([N+](=O)[O-])cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449285 FI Annotated Bother CCSc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449292 FI Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587449479 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587449482 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587449654 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587449659 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc4ccc(Cl)nc14)[C@@H](C2)C3=O ZINC000587449667 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc4ccc(Cl)nc14)[C@@H](C2)C3=O ZINC000587449672 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@H]4CCCCO4)s1)[C@@H](C2)C3=O ZINC000587449706 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(C(C)(C)C)cc1N)[C@@H](C2)C3=O ZINC000587449708 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(C(C)(C)C)cc1N)[C@@H](C2)C3=O ZINC000587449709 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@H]4CCCCO4)s1)[C@@H](C2)C3=O ZINC000587449713 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H]4CCCCO4)s1)[C@@H](C2)C3=O ZINC000587449714 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@@H]4CCCCO4)s1)[C@@H](C2)C3=O ZINC000587449715 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cs1)[C@@H](C2)C3=O ZINC000587449788 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cs1)[C@@H](C2)C3=O ZINC000587449791 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(N)sc(C)c1C)(C1CC1)[C@@H](C2)C3=O ZINC000587449868 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c(N)sc(C)c1C)(C1CC1)[C@@H](C2)C3=O ZINC000587449869 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(O)c1)[C@@H](C2)C3=O ZINC000587449918 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(O)c1)[C@@H](C2)C3=O ZINC000587449920 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4sccc4nc1Cl)[C@@H](C2)C3=O ZINC000587449953 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4sccc4nc1Cl)[C@@H](C2)C3=O ZINC000587449954 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)CC(C)(C)CC4)[C@@H](C2)C3=O ZINC000587450101 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4c(s1)CC(C)(C)CC4)[C@@H](C2)C3=O ZINC000587450103 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4nccs4)c1C)[C@@H](C2)C3=O ZINC000587450131 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4nccs4)c1C)[C@@H](C2)C3=O ZINC000587450133 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cscc1Br)[C@@H](C2)C3=O ZINC000587450159 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cscc1Br)[C@@H](C2)C3=O ZINC000587450160 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4c1ccc(C)c4C)[C@@H](C2)C3=O ZINC000587450198 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4c1ccc(C)c4C)[C@@H](C2)C3=O ZINC000587450205 FI Annotated Anodyne CC[C@]1(c2ccc3c(c2)CCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450255 FI Annotated Anodyne CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450257 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4cc(SC)ccc41)[C@@H](C2)C3=O ZINC000587450340 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4cc(SC)ccc41)[C@@H](C2)C3=O ZINC000587450349 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(-c4ccncc4)nc1C)[C@@H](C2)C3=O ZINC000587450394 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(-c4ccncc4)nc1C)[C@@H](C2)C3=O ZINC000587450397 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(CN4CCCCC4)cs1)[C@@H](C2)C3=O ZINC000587450414 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(CN4CCCCC4)cs1)[C@@H](C2)C3=O ZINC000587450415 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccsc4)s1)[C@@H](C2)C3=O ZINC000587450658 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(C)C)cc1)(C(C)(C)O)[C@@H](C2)C3=O ZINC000587450663 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(C)C)cc1)(C(C)(C)O)[C@@H](C2)C3=O ZINC000587450665 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccsc4)s1)[C@@H](C2)C3=O ZINC000587450667 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(C(C)C)cccc41)[C@@H](C2)C3=O ZINC000587450688 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(C(C)C)cccc41)[C@@H](C2)C3=O ZINC000587450689 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CSC#N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587450823 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587450827 FI Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O ZINC000587451083 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O ZINC000587451097 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O ZINC000587451099 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CC=C(CCCC(C)(C)O)CC1)[C@@H](C2)C3=O ZINC000587451101 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1(O)CCCCC1)[C@@H](C2)C3=O ZINC000587451217 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(C1(O)CCCCC1)[C@@H](C2)C3=O ZINC000587451218 FI Annotated Anodyne COc1cc2c3c(c1)OC1(c4ccsc4-c4sccc41)[C@@H](C2)C3=O ZINC000587451281 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O ZINC000587451287 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O ZINC000587451288 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CSC#N)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587451334 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CSC#N)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587451336 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccccc1C1CCOCC1)[C@@H](C2)C3=O ZINC000587451426 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1C1CCOCC1)[C@@H](C2)C3=O ZINC000587451428 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1csc(Br)c1)[C@@H](C2)C3=O ZINC000587451645 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1csc(Br)c1)[C@@H](C2)C3=O ZINC000587451646 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c(Br)s1)[C@@H](C2)C3=O ZINC000587451689 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Br)s1)[C@@H](C2)C3=O ZINC000587451692 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4sc(C=O)cc4s1)[C@@H](C2)C3=O ZINC000587451701 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4sc(C=O)cc4s1)[C@@H](C2)C3=O ZINC000587451704 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587451822 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587451824 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc4nccc(Cl)c4s1)[C@@H](C2)C3=O ZINC000587451866 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4nccc(Cl)c4s1)[C@@H](C2)C3=O ZINC000587451869 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4csc(SC)c41)[C@@H](C2)C3=O ZINC000587451898 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4csc(SC)c41)[C@@H](C2)C3=O ZINC000587451919 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(C=O)sc4s1)[C@@H](C2)C3=O ZINC000587451920 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(C=O)sc4s1)[C@@H](C2)C3=O ZINC000587451923 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O ZINC000587452048 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O ZINC000587452050 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccsc4)n1)[C@@H](C2)C3=O ZINC000587452075 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccsc4)n1)[C@@H](C2)C3=O ZINC000587452076 FI Annotated Anodyne CC[C@]1(C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 ZINC000587452091 FI Annotated Anodyne CC[C@]1(C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 ZINC000587452094 FI Annotated Anodyne CC[C@@]1(C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 ZINC000587452097 FI Annotated Anodyne CC[C@@]1(C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2O1 ZINC000587452098 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587452156 FI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587452159 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(C)s1)[C@@H](C2)C3=O ZINC000587452191 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)s1)[C@@H](C2)C3=O ZINC000587452194 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(CN4CCCC4)cs1)[C@@H](C2)C3=O ZINC000587452248 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(CN4CCCC4)cs1)[C@@H](C2)C3=O ZINC000587452250 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587452382 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587452387 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4scc(C5CC5)n14)[C@@H](C2)C3=O ZINC000587452392 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4scc(C5CC5)n14)[C@@H](C2)C3=O ZINC000587452394 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(C)o4)s1)[C@@H](C2)C3=O ZINC000587452504 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(C)o4)s1)[C@@H](C2)C3=O ZINC000587452510 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4cccs4)oc1C)[C@@H](C2)C3=O ZINC000587452587 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4cccs4)oc1C)[C@@H](C2)C3=O ZINC000587452588 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Cl)s1)[C@@H](C2)C3=O ZINC000587452621 FI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Cl)s1)[C@@H](C2)C3=O ZINC000587452626 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587452687 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587452688 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1cccs1)[C@@H](C2)C3=O ZINC000587452754 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1cccs1)[C@@H](C2)C3=O ZINC000587452756 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(Br)c1)[C@@H](C2)C3=O ZINC000587452870 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(Br)c1)[C@@H](C2)C3=O ZINC000587452871 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Br)cc1C)[C@@H](C2)C3=O ZINC000587452917 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(Br)cc1C)[C@@H](C2)C3=O ZINC000587452918 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cccs4)s1)[C@@H](C2)C3=O ZINC000587452941 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4cccs4)s1)[C@@H](C2)C3=O ZINC000587452944 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1cccs1)[C@@H](C2)C3=O ZINC000587453141 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1Cc1cccs1)[C@@H](C2)C3=O ZINC000587453142 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(C(C)(C)C)nc1C)[C@@H](C2)C3=O ZINC000587453193 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(C(C)(C)C)nc1C)[C@@H](C2)C3=O ZINC000587453194 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453301 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453304 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453305 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O ZINC000587453306 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cs1)[C@@H](C2)C3=O ZINC000587453358 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cs1)[C@@H](C2)C3=O ZINC000587453361 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453457 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453461 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCCCC4)s1)[C@@H](C2)C3=O ZINC000587453477 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCCCC4)s1)[C@@H](C2)C3=O ZINC000587453481 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccs4)n1)[C@@H](C2)C3=O ZINC000587453675 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4cccs4)n1)[C@@H](C2)C3=O ZINC000587453677 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587453696 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587453698 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCSc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587453716 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587453738 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587453740 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(O)cc4)n1)[C@@H](C2)C3=O ZINC000587453803 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(O)cc4)n1)[C@@H](C2)C3=O ZINC000587453808 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCSc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587453851 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccsc1N)[C@@H](C2)C3=O ZINC000587453864 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccsc1N)[C@@H](C2)C3=O ZINC000587453866 FI Annotated Anodyne COc1cc2c3c(c1)OC1(c4ccccc4Oc4ccccc41)[C@@H](C2)C3=O ZINC000587453868 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccsc1Br)[C@@H](C2)C3=O ZINC000587453909 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccsc1Br)[C@@H](C2)C3=O ZINC000587453913 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc4ccccc4s1)[C@@H](C2)C3=O ZINC000587453942 FI Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cc4ccccc4s1)[C@@H](C2)C3=O ZINC000587453945 FI Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4COc4ccccc41)[C@@H](C2)C3=O ZINC000587454013 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4COc4ccccc41)[C@@H](C2)C3=O ZINC000587454019 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCCC4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454098 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCCC4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454100 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4s1)[C@@H](C2)C3=O ZINC000587454169 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4s1)[C@@H](C2)C3=O ZINC000587454171 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)c(OC)c1)[C@@H](C2)C3=O ZINC000587454218 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC)c(OC)c1)[C@@H](C2)C3=O ZINC000587454231 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cscc1Br)[C@@H](C2)C3=O ZINC000587454232 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cscc1Br)[C@@H](C2)C3=O ZINC000587454234 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1scc(Br)c1C)[C@@H](C2)C3=O ZINC000587454307 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1scc(Br)c1C)[C@@H](C2)C3=O ZINC000587454308 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccn4)o1)[C@@H](C2)C3=O ZINC000587454328 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccn4)o1)[C@@H](C2)C3=O ZINC000587454330 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587454360 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587454362 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587454388 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587454392 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(C(C)C)cc41)[C@@H](C2)C3=O ZINC000587454414 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(C(C)C)cc41)[C@@H](C2)C3=O ZINC000587454415 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sccc1Br)[C@@H](C2)C3=O ZINC000587454420 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sccc1Br)[C@@H](C2)C3=O ZINC000587454421 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sccc1Br)[C@@H](C2)C3=O ZINC000587454439 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sccc1Br)[C@@H](C2)C3=O ZINC000587454440 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587454555 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587454556 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587454729 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587454730 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1CCOCC1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454792 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1CCOCC1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454793 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O ZINC000587455032 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O ZINC000587455033 FI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O ZINC000587455034 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)OC1(C)C)[C@@H](C2)C3=O ZINC000587455035 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)oc4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587455133 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)oc4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587455134 FI Annotated Anodyne COc1cc2c3c(c1)OC(c1ccc(C)o1)(c1ccc(C)o1)[C@@H](C2)C3=O ZINC000587455185 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1coc4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587455295 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1coc4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587455296 FI Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587455313 FI Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587455314 FI Annotated Anodyne C=CCC[C@@]1(CBr)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587456312 FI Annotated Reactive C=CCC[C@]1(CBr)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587456313 FI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1oc4ccc(OC)cc4c1C)[C@@H](C2)C3=O ZINC000587456362 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1oc4ccc(OC)cc4c1C)[C@@H](C2)C3=O ZINC000587456364 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCC1)CC2=O ZINC000587456389 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C1CCC1)CC2=O ZINC000587456390 FI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccccc4)o1)[C@@H](C2)C3=O ZINC000587456496 FI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccccc4)o1)[C@@H](C2)C3=O ZINC000587456498 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](C)Br)CC2=O ZINC000587456536 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](C)Br)CC2=O ZINC000587456537 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H](C)Br)CC2=O ZINC000587456538 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](C)Br)CC2=O ZINC000587456539 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)C)CC2=O ZINC000587456609 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)C)CC2=O ZINC000587456610 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(CC1CC1)CC2=O ZINC000587456611 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(CC1CC1)CC2=O ZINC000587456612 FI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1oc4cc(OC)ccc4c1C)[C@@H](C2)C3=O ZINC000587456664 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1oc4cc(OC)ccc4c1C)[C@@H](C2)C3=O ZINC000587456665 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)COC(C)(C)O4)[C@@H](C2)C3=O ZINC000587456767 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)COC(C)(C)O4)[C@@H](C2)C3=O ZINC000587456769 FI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C=O)o4)cc1)[C@@H](C2)C3=O ZINC000587457142 FI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C=O)o4)cc1)[C@@H](C2)C3=O ZINC000587457143 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1occc1Br)CC2=O ZINC000587457535 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1occc1Br)CC2=O ZINC000587457536 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)co1)CC2=O ZINC000587457673 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)co1)CC2=O ZINC000587457674 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccn1)CC2=O ZINC000587458121 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccn1)CC2=O ZINC000587458122 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)[nH]1)CC2=O ZINC000587458161 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)[nH]1)CC2=O ZINC000587458162 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccncc1Br)CC2=O ZINC000587458199 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccncc1Br)CC2=O ZINC000587458200 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cn1)CC2=O ZINC000587458217 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cn1)CC2=O ZINC000587458218 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]ccc1Br)CC2=O ZINC000587458257 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]ccc1Br)CC2=O ZINC000587458258 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1nc3ccccc3[nH]1)CC2=O ZINC000587458290 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1nc3ccccc3[nH]1)CC2=O ZINC000587458292 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ncccc1Br)CC2=O ZINC000587458373 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncccc1Br)CC2=O ZINC000587458374 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1Cl)CC2=O ZINC000587458434 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)cc1Cl)CC2=O ZINC000587458435 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(Cl)ccn1)CC2=O ZINC000587458567 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(Cl)ccn1)CC2=O ZINC000587458568 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OC)cc1)CC2=O ZINC000587458593 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OC)cc1)CC2=O ZINC000587458596 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1ccc(Cl)cc1)CC2=O ZINC000587458618 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1ccc(Cl)cc1)CC2=O ZINC000587458621 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cl)c1O)CC2=O ZINC000587458626 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cl)c1O)CC2=O ZINC000587458627 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3cc(Cl)ccc3n1)CC2=O ZINC000587458695 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3cc(Cl)ccc3n1)CC2=O ZINC000587458696 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccoc1Br)CC2=O ZINC000587458747 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(Cl)cn13)CC2=O ZINC000587458750 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(Cl)cn13)CC2=O ZINC000587458753 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccoc1Br)CC2=O ZINC000587458760 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COCc3cccc(Cl)c31)CC2=O ZINC000587458907 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COCc3cccc(Cl)c31)CC2=O ZINC000587458917 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Cl)nc1Cl)CC2=O ZINC000587458982 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Cl)nc1Cl)CC2=O ZINC000587458995 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)O)c1Cl)CC2=O ZINC000587459125 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)O)c1Cl)CC2=O ZINC000587459126 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)cc(C)cc21 ZINC000587459446 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)cc(C)cc21 ZINC000587459448 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(O)c(Cl)cc31)CC2=O ZINC000587459542 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(O)c(Cl)cc31)CC2=O ZINC000587459546 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc3ccccn13)CC2=O ZINC000587459681 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc3ccccn13)CC2=O ZINC000587459683 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)nc1Cl)CC2=O ZINC000587459723 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)nc1Cl)CC2=O ZINC000587459729 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1Br)CC2=O ZINC000587459777 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1Br)CC2=O ZINC000587459780 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1Br)CC2=O ZINC000587459781 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1Br)CC2=O ZINC000587459783 FI Annotated Reactive CCCc1c(O)ccc2c1OC1(CCC(Br)CC1)CC2=O ZINC000587459845 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)n1)CC2=O ZINC000587459913 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)n1)CC2=O ZINC000587459914 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCO3)CC2=O ZINC000587459986 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCO3)CC2=O ZINC000587459987 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc3[nH]c(=N)oc13)CC2=O ZINC000587460354 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc3[nH]c(=N)oc13)CC2=O ZINC000587460362 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CCCl)c1C)CC2=O ZINC000587460452 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CCCl)c1C)CC2=O ZINC000587460462 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCC(OC)=C1Br)CC2=O ZINC000587460571 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(OC)=C1Br)CC2=O ZINC000587460572 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(OC)cc1Cl)CC2=O ZINC000587460581 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(OC)cc1Cl)CC2=O ZINC000587460582 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)COC3)CC2=O ZINC000587460685 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)COC3)CC2=O ZINC000587460686 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(COc3ccc(Cl)cc3C1)CC2=O ZINC000587460728 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COc3ccc(Cl)cc3C1)CC2=O ZINC000587460731 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@H](C)O)CC2=O ZINC000587460806 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@@H](C)O)CC2=O ZINC000587460808 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@@H](C)O)CC2=O ZINC000587460811 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@H](C)O)CC2=O ZINC000587460814 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)ccc(C)c21 ZINC000587460821 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)ccc(C)c21 ZINC000587460822 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3[nH]cnc(Cl)c1-3)CC2=O ZINC000587460920 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3[nH]cnc(Cl)c1-3)CC2=O ZINC000587460929 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Cl)=COc2cc(O)ccc21 ZINC000587460935 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Cl)=COc2cc(O)ccc21 ZINC000587460940 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC(C)(C)C)[C@@H]1Cl ZINC000587460981 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1C(=O)O)CC2=O ZINC000587460988 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1C(=O)O)CC2=O ZINC000587460989 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ncccc13)CC2=O ZINC000587461144 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ncccc13)CC2=O ZINC000587461145 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1Cl)CC2=O ZINC000587461221 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1Cl)CC2=O ZINC000587461222 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC(C)(C)C)[C@H]1Cl ZINC000587461265 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC(C)(C)C)[C@H]1Cl ZINC000587461268 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC(C)(C)C)[C@@H]1Cl ZINC000587461269 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(Cl)n1C)CC2=O ZINC000587461393 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(Cl)n1C)CC2=O ZINC000587461402 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(OC)c(Cl)c1)CC2=O ZINC000587461432 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(OC)c(Cl)c1)CC2=O ZINC000587461434 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1N(C)C)CC2=O ZINC000587461481 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1N(C)C)CC2=O ZINC000587461483 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(OC)c1O)CC2=O ZINC000587461622 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(OC)c1O)CC2=O ZINC000587461625 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C)c(Cl)c1C)CC2=O ZINC000587461694 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C)c(Cl)c1C)CC2=O ZINC000587461702 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(COc1ccccc1)CC2=O ZINC000587461710 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(COc1ccccc1)CC2=O ZINC000587461711 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccnc1Br)CC2=O ZINC000587461761 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Br)CC2=O ZINC000587461762 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C#N)cc1)CC2=O ZINC000587461879 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C#N)cc1)CC2=O ZINC000587461882 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1N(C)C)CC2=O ZINC000587462016 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1N(C)C)CC2=O ZINC000587462018 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3nc(Cl)ccc31)CC2=O ZINC000587462099 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3nc(Cl)ccc31)CC2=O ZINC000587462102 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccc(Cl)cc1)CC2=O ZINC000587462194 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccc(Cl)cc1)CC2=O ZINC000587462200 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c1ccc(Cl)c2C ZINC000587462215 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c1ccc(Cl)c2C ZINC000587462218 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ccncc13)CC2=O ZINC000587462276 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ccncc13)CC2=O ZINC000587462277 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O)c1Cl)CC2=O ZINC000587462336 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O)c1Cl)CC2=O ZINC000587462337 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc3nccn13)CC2=O ZINC000587462444 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc3nccn13)CC2=O ZINC000587462446 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)nc1Cl)CC2=O ZINC000587462552 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)nc1Cl)CC2=O ZINC000587462555 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)ccc(Cl)c21 ZINC000587462679 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)ccc(Cl)c21 ZINC000587462681 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)cnc1Cl)CC2=O ZINC000587462778 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)cnc1Cl)CC2=O ZINC000587462779 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(C(=O)O)CC2=O ZINC000587462841 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(C(=O)O)CC2=O ZINC000587462842 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(O)nc1C)CC2=O ZINC000587462927 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(O)nc1C)CC2=O ZINC000587462928 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cc(Cl)cc21 ZINC000587462988 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cc(Cl)cc21 ZINC000587462989 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)nnc1Cl)CC2=O ZINC000587463031 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)nnc1Cl)CC2=O ZINC000587463032 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C#N)c(Cl)nc1C)CC2=O ZINC000587463043 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C#N)c(Cl)nc1C)CC2=O ZINC000587463044 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](Cc1c(Cl)ncnc1Cl)CC2=O ZINC000587463086 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](Cc1c(Cl)ncnc1Cl)CC2=O ZINC000587463087 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(C)nc1Cl)CC2=O ZINC000587463098 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(C)nc1Cl)CC2=O ZINC000587463099 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)ncnc1Cl)CC2=O ZINC000587463328 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)ncnc1Cl)CC2=O ZINC000587463329 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CCC(F)(F)F)CC1)CC2=O ZINC000587463373 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1Cl)CC2=O ZINC000587463465 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](F)C#N)CC2=O ZINC000587463466 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1Cl)CC2=O ZINC000587463467 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](F)C#N)CC2=O ZINC000587463468 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](F)C#N)CC2=O ZINC000587463470 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](F)C#N)CC2=O ZINC000587463472 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1cccc(Cl)c1)CC2=O ZINC000587463558 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1cccc(Cl)c1)CC2=O ZINC000587463561 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Cl)c(N)cc31)CC2=O ZINC000587463850 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Cl)c(N)cc31)CC2=O ZINC000587463852 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(Cl)cc31)CC2=O ZINC000587463892 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(Cl)cc31)CC2=O ZINC000587463894 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncccc1C(F)(F)F)CC2=O ZINC000587464034 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncccc1C(F)(F)F)CC2=O ZINC000587464035 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](F)C#N)CC2=O ZINC000587464061 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](F)C#N)CC2=O ZINC000587464062 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](F)C#N)CC2=O ZINC000587464063 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](F)C#N)CC2=O ZINC000587464064 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)cnc1N)CC2=O ZINC000587464115 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)cnc1N)CC2=O ZINC000587464116 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cn1)CC2=O ZINC000587464201 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cn1)CC2=O ZINC000587464202 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(C(F)(F)F)n1)CC2=O ZINC000587464205 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(F)(F)F)n1)CC2=O ZINC000587464206 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1C)CC2=O ZINC000587464229 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1C)CC2=O ZINC000587464230 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]nc(C(F)(F)F)c1C)CC2=O ZINC000587464420 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]nc(C(F)(F)F)c1C)CC2=O ZINC000587464421 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC)nc1C(F)(F)F)CC2=O ZINC000587464646 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)nc1C(F)(F)F)CC2=O ZINC000587464647 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CC)c1C(F)(F)F)CC2=O ZINC000587464656 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC)c1C(F)(F)F)CC2=O ZINC000587464657 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1C(F)(F)F)CC2=O ZINC000587464662 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1C(F)(F)F)CC2=O ZINC000587464663 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccn1)CC2=O ZINC000587464746 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccn1)CC2=O ZINC000587464747 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1CC)CC2=O ZINC000587464769 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1CC)CC2=O ZINC000587464770 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnccc1C(F)(F)F)CC2=O ZINC000587464777 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnccc1C(F)(F)F)CC2=O ZINC000587464778 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(C#N)c1N(C)C)CC2=O ZINC000587464866 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(C#N)c1N(C)C)CC2=O ZINC000587464867 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1F)CC2=O ZINC000587464868 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1F)CC2=O ZINC000587464869 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(C)cc1F)CC2=O ZINC000587464879 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(C)cc1F)CC2=O ZINC000587464880 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1nc(C)ccc1OC(F)F)CC2=O ZINC000587464968 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(C)ccc1OC(F)F)CC2=O ZINC000587464969 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)c(F)c1)CC2=O ZINC000587465082 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)c(F)c1)CC2=O ZINC000587465083 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@]1(c3cccc(F)c3)CCOC1)CC2=O ZINC000587465094 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@]1(c3cccc(F)c3)CCOC1)CC2=O ZINC000587465095 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@]1(c3cccc(F)c3)CCOC1)CC2=O ZINC000587465097 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@]1(c3cccc(F)c3)CCOC1)CC2=O ZINC000587465099 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC)(c1ccc(F)c(F)c1)CC2=O ZINC000587465105 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(F)cc1OC)CC2=O ZINC000587465106 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(F)cc1OC)CC2=O ZINC000587465107 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC)(c1ccc(F)c(F)c1)CC2=O ZINC000587465108 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(OC)OC)c1F)CC2=O ZINC000587465122 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(C(OC)OC)c1F)CC2=O ZINC000587465123 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cccn3)c(F)c1)CC2=O ZINC000587465172 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cccn3)c(F)c1)CC2=O ZINC000587465173 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1-n1cccn1)CC2=O ZINC000587465192 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1-n1cccn1)CC2=O ZINC000587465193 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(F)cc(F)c1)CC2=O ZINC000587465228 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(F)cc(F)c1)CC2=O ZINC000587465236 FI Annotated Mild CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3F)CC1)CC2=O ZINC000587465248 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cc([N+](=O)[O-])cc1F)CC2=O ZINC000587465385 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(F)c(F)c1)CC2=O ZINC000587465386 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc([N+](=O)[O-])cc1F)CC2=O ZINC000587465387 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(F)c(F)c1)CC2=O ZINC000587465388 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(F)c1)CC2=O ZINC000587465524 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(F)c1)CC2=O ZINC000587465525 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)CC2=O ZINC000587465611 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)CC2=O ZINC000587465613 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3)c(F)c1)CC2=O ZINC000587465668 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccnc3)c(F)c1)CC2=O ZINC000587465669 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ncc[nH]1)CC2=O ZINC000587465881 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ncc[nH]1)CC2=O ZINC000587465882 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc([N+](=O)[O-])c1F)CC2=O ZINC000587465974 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc([N+](=O)[O-])c1F)CC2=O ZINC000587465976 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(N)c(F)c1F)CC2=O ZINC000587465979 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(N)c(F)c1F)CC2=O ZINC000587465981 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCOC)(Cc1cccc(F)c1)CC2=O ZINC000587466050 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCOC)(Cc1cccc(F)c1)CC2=O ZINC000587466052 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(F)cc1F)CC2=O ZINC000587466184 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(F)cc1F)CC2=O ZINC000587466185 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C(OC)OC)ccc1F)CC2=O ZINC000587466188 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(OC)OC)ccc1F)CC2=O ZINC000587466191 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(F)c1OC)CC2=O ZINC000587466210 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cccc(F)c1OC)CC2=O ZINC000587466211 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1F)CC2=O ZINC000587466237 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1F)CC2=O ZINC000587466238 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])ccc1F)CC2=O ZINC000587466321 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])ccc1F)CC2=O ZINC000587466323 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(F)cc1)CC2=O ZINC000587466326 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(F)cc1)CC2=O ZINC000587466331 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(F)cc1)CC2=O ZINC000587466333 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(F)cc1)CC2=O ZINC000587466337 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1[N+](=O)[O-])CC2=O ZINC000587466360 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(F)c(F)c(O)c(F)c1F)CC2=O ZINC000587466361 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])CC2=O ZINC000587466362 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(F)c(F)c(O)c(F)c1F)CC2=O ZINC000587466363 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C(=O)O)ccc1F)CC2=O ZINC000587466378 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C(=O)O)ccc1F)CC2=O ZINC000587466383 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c1OC(F)(F)O3)CC2=O ZINC000587466454 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OC(F)(F)O3)CC2=O ZINC000587466456 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCOC)(c1ccc(F)cc1)CC2=O ZINC000587466492 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCOC)(c1ccc(F)cc1)CC2=O ZINC000587466495 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccc(F)c(F)c1)CC2=O ZINC000587466498 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc(F)c(F)c1)CC2=O ZINC000587466500 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCC#N)CC2=O ZINC000587466571 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCC#N)CC2=O ZINC000587466572 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCCC3=C1C[C@@H](CC#N)O3)CC2=O ZINC000587466666 FI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCC3=C1C[C@@H](CC#N)O3)CC2=O ZINC000587466672 FI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCC3=C1C[C@H](CC#N)O3)CC2=O ZINC000587466675 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCCC3=C1C[C@H](CC#N)O3)CC2=O ZINC000587466678 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccccc1)CC2=O ZINC000587466681 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccccc1)CC2=O ZINC000587466686 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)Cl)(c1ccc(F)cc1)CC2=O ZINC000587466693 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)Cl)(c1ccc(F)cc1)CC2=O ZINC000587466694 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(OC)c1F)CC2=O ZINC000587466811 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cccc(OC)c1F)CC2=O ZINC000587466812 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1N(C)C)CC2=O ZINC000587466890 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)F)nn(C)c1Cl)CC2=O ZINC000587466891 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)F)nn(C)c1Cl)CC2=O ZINC000587466892 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1N(C)C)CC2=O ZINC000587466894 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C#N)cc1OC)CC2=O ZINC000587467120 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C#N)cc1OC)CC2=O ZINC000587467121 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CC#N)c1)CC2=O ZINC000587467155 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CC#N)c1)CC2=O ZINC000587467159 FI Annotated Mild CCCc1c(O)ccc2c1OC1(CCN(c3cccc(F)c3)CC1)CC2=O ZINC000587467204 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(O)cc1F)CC2=O ZINC000587467321 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(O)cc1F)CC2=O ZINC000587467322 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)c([N+](=O)[O-])cc1F)CC2=O ZINC000587467327 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c([N+](=O)[O-])cc1F)CC2=O ZINC000587467328 FI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(C)cc21 ZINC000587467531 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(C)cc21 ZINC000587467532 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cccc(F)c3)c1)CC2=O ZINC000587467747 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cccc(F)c3)c1)CC2=O ZINC000587467750 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3F)c1)CC2=O ZINC000587467799 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3F)c1)CC2=O ZINC000587467800 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1-n1cccn1)CC2=O ZINC000587467888 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1-n1cccn1)CC2=O ZINC000587467890 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)c(F)c1)CC2=O ZINC000587468005 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)c(F)c1)CC2=O ZINC000587468006 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(C)c1N)CC2=O ZINC000587468040 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(C)c1N)CC2=O ZINC000587468044 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccccc1[N+](=O)[O-])CC2=O ZINC000587468108 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(COc1ccccc1[N+](=O)[O-])CC2=O ZINC000587468110 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccc(N)cc1)CC2=O ZINC000587468119 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccc(N)cc1)CC2=O ZINC000587468121 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)cc([N+](=O)[O-])c1O)CC2=O ZINC000587468207 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(CC)cc([N+](=O)[O-])c1O)CC2=O ZINC000587468208 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cccc1[N+](=O)[O-])CC2=O ZINC000587468224 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cccc1[N+](=O)[O-])CC2=O ZINC000587468231 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(C)=O)CC2=O ZINC000587468257 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(C)=O)CC2=O ZINC000587468258 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)c(C#N)c1F)CC2=O ZINC000587468464 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)c(C#N)c1F)CC2=O ZINC000587468466 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N(C)C(C)=O)c1)CC2=O ZINC000587468513 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N(C)C(C)=O)c1)CC2=O ZINC000587468515 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(F)ccc1F)CC2=O ZINC000587468552 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(F)ccc1F)CC2=O ZINC000587468555 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(C)on1)CC2=O ZINC000587468620 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(C)on1)CC2=O ZINC000587468625 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CCC=O)c1F)CC2=O ZINC000587468695 FI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccc(N)cc21 ZINC000587468742 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccc(N)cc21 ZINC000587468743 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1ccnc1)(c1ccccc1)CC2=O ZINC000587468780 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1ccnc1)(c1ccccc1)CC2=O ZINC000587468784 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC#N)cc1)CC2=O ZINC000587468875 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC#N)cc1)CC2=O ZINC000587468878 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CCC=O)c1F)CC2=O ZINC000587468925 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc([N+](=O)[O-])c1F)CC2=O ZINC000587468991 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)CC2=O ZINC000587468992 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(F)cc1F)CC2=O ZINC000587469008 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)CC2=O ZINC000587469009 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1[N+](=O)[O-])CC2=O ZINC000587469169 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1[N+](=O)[O-])CC2=O ZINC000587469170 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N(C)C)CC2=O ZINC000587469237 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N(C)C)CC2=O ZINC000587469242 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N(C)C)CC2=O ZINC000587469244 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N(C)C)CC2=O ZINC000587469245 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=C(C#N)C#N)c2ccccc21 ZINC000587469277 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=C(C#N)C#N)c2ccccc21 ZINC000587469278 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(OC)cc1)CC2=O ZINC000587469317 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(OC)cc1)CC2=O ZINC000587469319 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C)c1ccccc1)CC2=O ZINC000587469335 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C)c1ccccc1)CC2=O ZINC000587469336 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c([N+](=O)[O-])cccc31)CC2=O ZINC000587469345 FI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCCc3c([N+](=O)[O-])cccc31)CC2=O ZINC000587469348 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc([N+](=O)[O-])cc31)CC2=O ZINC000587469370 FI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc([N+](=O)[O-])cc31)CC2=O ZINC000587469371 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(F)cc3)c1)CC2=O ZINC000587469606 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(F)cc3)c1)CC2=O ZINC000587469609 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)NC(C)C)cc1)CC2=O ZINC000587469696 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)NC(C)C)cc1)CC2=O ZINC000587469698 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C#N)cc1)CC2=O ZINC000587469704 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C#N)cc1)CC2=O ZINC000587469713 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C#N)cc1)CC2=O ZINC000587469716 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C#N)cc1)CC2=O ZINC000587469718 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1cccnc1)CC2=O ZINC000587469859 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1cccnc1)CC2=O ZINC000587469860 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC(=O)N(C)C)CC2=O ZINC000587469890 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC(=O)N(C)C)CC2=O ZINC000587469891 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc(C#N)cc1)CC2=O ZINC000587469908 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc(C#N)cc1)CC2=O ZINC000587469909 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc(C#N)cc1)CC2=O ZINC000587469910 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc(C#N)cc1)CC2=O ZINC000587469911 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1)CC2=O ZINC000587469962 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1)CC2=O ZINC000587469964 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(CN=O)=COc2ccccc21 ZINC000587470013 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(CN=O)=COc2ccccc21 ZINC000587470020 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)c(-c3ccccc3)n1)CC2=O ZINC000587470155 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c(-c3ccccc3)n1)CC2=O ZINC000587470161 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccc(F)cc3[nH]1)CC2=O ZINC000587470179 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccc(F)cc3[nH]1)CC2=O ZINC000587470185 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc([N+](=O)[O-])cc31)CC2=O ZINC000587470186 FI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCc3ccc([N+](=O)[O-])cc31)CC2=O ZINC000587470188 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-n1ccnc1)CC2=O ZINC000587470260 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-n1ccnc1)CC2=O ZINC000587470262 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(C)=O)c1)CC2=O ZINC000587470434 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(C)=O)c1)CC2=O ZINC000587470435 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(NC(C)=O)c31)CC2=O ZINC000587470448 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(NC(C)=O)c31)CC2=O ZINC000587470449 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(C)c1)CC2=O ZINC000587470467 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(C)c1)CC2=O ZINC000587470468 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1C)CC2=O ZINC000587470469 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1C)CC2=O ZINC000587470470 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cncn1Cc1ccccc1)CC2=O ZINC000587470523 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cncn1Cc1ccccc1)CC2=O ZINC000587470524 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CCC#N)cc1)CC2=O ZINC000587470690 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CCC#N)cc1)CC2=O ZINC000587470694 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCc3c([N+](=O)[O-])cccc31)CC2=O ZINC000587470852 FI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCc3c([N+](=O)[O-])cccc31)CC2=O ZINC000587470855 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c([N+](=O)[O-])cccc13)CC2=O ZINC000587470943 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c([N+](=O)[O-])cccc13)CC2=O ZINC000587470945 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1ccccn1)CC2=O ZINC000587470953 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1ccccn1)CC2=O ZINC000587470956 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccccc1OC)CC2=O ZINC000587470979 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccccc1OC)CC2=O ZINC000587470981 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc(OC)c1)CC2=O ZINC000587470999 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc(OC)c1)CC2=O ZINC000587471001 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C(C)C)nc1)CC2=O ZINC000587471008 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C(C)C)nc1)CC2=O ZINC000587471009 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(C)=O)cc1C)CC2=O ZINC000587471027 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(C)=O)cc1C)CC2=O ZINC000587471029 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1ccccn1)CC2=O ZINC000587471034 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1ccccn1)CC2=O ZINC000587471036 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3ccnc3)cc1)CC2=O ZINC000587471203 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3ccnc3)cc1)CC2=O ZINC000587471204 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3nccn3C)C1)CC2=O ZINC000587471285 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)c(OC)cc31)CC2=O ZINC000587471290 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)c(OC)cc31)CC2=O ZINC000587471291 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3F)CC2=O ZINC000587471296 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3F)CC2=O ZINC000587471298 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3nccn3C)C1)CC2=O ZINC000587471300 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3nccn3C)C1)CC2=O ZINC000587471303 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3nccn3C)C1)CC2=O ZINC000587471305 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc([N+](=O)[O-])c13)CC2=O ZINC000587471454 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc([N+](=O)[O-])c13)CC2=O ZINC000587471455 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1nccn1Cc1ccccc1)CC2=O ZINC000587471464 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nccn1Cc1ccccc1)CC2=O ZINC000587471465 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1C[C@H]1CCCO1)CC2=O ZINC000587471519 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1C[C@@H]1CCCO1)CC2=O ZINC000587471520 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1C[C@H]1CCCO1)CC2=O ZINC000587471521 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1C[C@@H]1CCCO1)CC2=O ZINC000587471522 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(NC(C)=O)ccc31)CC2=O ZINC000587471569 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(NC(C)=O)ccc31)CC2=O ZINC000587471570 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(C)=O)cc1)CC2=O ZINC000587471614 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(C)=O)cc1)CC2=O ZINC000587471615 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)c(F)cc31)CC2=O ZINC000587471668 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)c(F)cc31)CC2=O ZINC000587471670 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)cc(F)cc31)CC2=O ZINC000587471719 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)cc(F)cc31)CC2=O ZINC000587471720 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ccc(F)cc1)CC2=O ZINC000587471734 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCOC)c1C)CC2=O ZINC000587471753 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CCOC)c1C)CC2=O ZINC000587471754 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3)n1C)CC2=O ZINC000587471825 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)n1C)CC2=O ZINC000587471826 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O ZINC000587471829 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O ZINC000587471830 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(C)=O)cc1C)CC2=O ZINC000587471910 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(C)=O)cc1C)CC2=O ZINC000587471911 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ccc(F)cc1)CC2=O ZINC000587471935 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(F)cc21 ZINC000587471955 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(F)cc21 ZINC000587471956 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc3c(cnn3C)cc1F)CC2=O ZINC000587471965 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cnn3C)cc1F)CC2=O ZINC000587471966 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)NCC)CC2=O ZINC000587472146 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)NCC)CC2=O ZINC000587472147 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)NCC)CC2=O ZINC000587472148 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)NCC)CC2=O ZINC000587472149 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NC1CCCCCC1)CC2=O ZINC000587472221 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NC1CCCCCC1)CC2=O ZINC000587472222 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1ccco1)CC2=O ZINC000587472257 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1ccco1)CC2=O ZINC000587472258 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc([N+](=O)[O-])cc31)CC2=O ZINC000587472265 FI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc([N+](=O)[O-])cc31)CC2=O ZINC000587472266 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O ZINC000587472308 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O ZINC000587472309 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)Nc3ccc(F)cc31)CC2=O ZINC000587472398 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(=O)Nc3ccc(F)cc31)CC2=O ZINC000587472399 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(F)cc1)CC2=O ZINC000587472416 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(F)cc1)CC2=O ZINC000587472417 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(F)cc(F)c31)CC2=O ZINC000587472451 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(F)cc(F)c31)CC2=O ZINC000587472452 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3ccc(F)cc3c1=O)CC2=O ZINC000587472455 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc(F)cc3c1=O)CC2=O ZINC000587472456 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3c(C)cc(F)cc13)CC2=O ZINC000587472473 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3c(C)cc(F)cc13)CC2=O ZINC000587472474 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)nc1F)CC2=O ZINC000587472489 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)nc1F)CC2=O ZINC000587472490 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)cc1[N+](=O)[O-])CC2=O ZINC000587472515 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)cc1[N+](=O)[O-])CC2=O ZINC000587472516 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1ccccc1N)CC2=O ZINC000587472535 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1ccccc1N)CC2=O ZINC000587472536 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)Oc3cc(N)ccc31)CC2=O ZINC000587472549 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)Oc3cc(N)ccc31)CC2=O ZINC000587472550 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1[N+](=O)[O-])CC2=O ZINC000587472563 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1[N+](=O)[O-])CC2=O ZINC000587472564 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc([N+](=O)[O-])c1C)CC2=O ZINC000587472567 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc([N+](=O)[O-])c1C)CC2=O ZINC000587472568 FI Annotated Bother CCCc1c(O)ccc2c1OC1(CCN(c3ccc(F)cc3)CC1)CC2=O ZINC000587472601 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)cc(F)c31)CC2=O ZINC000587472663 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)cc(F)c31)CC2=O ZINC000587472664 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)cc3[nH]c(=N)oc13)CC2=O ZINC000587472746 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)cc3[nH]c(=N)oc13)CC2=O ZINC000587472747 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)ccc(F)c31)CC2=O ZINC000587472819 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)ccc(F)c31)CC2=O ZINC000587472820 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC)c([N+](=O)[O-])c1)CC2=O ZINC000587472871 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC)c([N+](=O)[O-])c1)CC2=O ZINC000587472873 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c([N+](=O)[O-])c1)CC2=O ZINC000587472895 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c([N+](=O)[O-])c1)CC2=O ZINC000587472896 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(N)cc(C(C)=O)c1)CC2=O ZINC000587472904 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N)cc(C(C)=O)c1)CC2=O ZINC000587472910 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587472915 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587472916 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccc(F)cc3)C1)CC2=O ZINC000587472933 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccc(F)cc3)C1)CC2=O ZINC000587472934 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3cc(F)ccc3c1=O)CC2=O ZINC000587473116 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3cc(F)ccc3c1=O)CC2=O ZINC000587473118 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)ccc1[N+](=O)[O-])CC2=O ZINC000587473175 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)ccc1[N+](=O)[O-])CC2=O ZINC000587473177 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1c(F)c[nH]c3nccc1-3)CC2=O ZINC000587473198 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)c[nH]c3nccc1-3)CC2=O ZINC000587473200 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473321 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473322 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1OCC)CC2=O ZINC000587473337 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1OCC)CC2=O ZINC000587473338 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O ZINC000587473359 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O ZINC000587473360 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])cc1C)CC2=O ZINC000587473476 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])cc1C)CC2=O ZINC000587473477 FI Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cccc(N)c1)CC2=O ZINC000587473536 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cccc(N)c1)CC2=O ZINC000587473537 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)CC2=O ZINC000587473542 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)CC2=O ZINC000587473543 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O ZINC000587473562 FI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O ZINC000587473563 FI Annotated Bother CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCC(C)CC1)CC2=O ZINC000587473641 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCC(C)CC1)CC2=O ZINC000587473642 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(N)c1)CC2=O ZINC000587473657 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(N)c1)CC2=O ZINC000587473662 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3ccnn3C)C1)CC2=O ZINC000587473960 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3ccnn3C)C1)CC2=O ZINC000587473961 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3ccnn3C)C1)CC2=O ZINC000587473963 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3ccnn3C)C1)CC2=O ZINC000587473964 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(Cc3ccccc3)c1)CC2=O ZINC000587474072 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(Cc3ccccc3)c1)CC2=O ZINC000587474073 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3nccc(C)c13)CC2=O ZINC000587474086 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3nccc(C)c13)CC2=O ZINC000587474087 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccn(C)n3)c1)CC2=O ZINC000587474118 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccn(C)n3)c1)CC2=O ZINC000587474119 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccccc3)c1)CC2=O ZINC000587474132 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccccc3)c1)CC2=O ZINC000587474133 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nn(CC)c3ccccc13)CC2=O ZINC000587474149 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nn(CC)c3ccccc13)CC2=O ZINC000587474150 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cccn3)cc1)CC2=O ZINC000587474288 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cccn3)cc1)CC2=O ZINC000587474289 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3nn(C)cc13)CC2=O ZINC000587474303 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3nn(C)cc13)CC2=O ZINC000587474305 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1ccccc1)CC2=O ZINC000587474704 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1ccccc1)CC2=O ZINC000587474705 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3n1C)CC2=O ZINC000587474732 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3n1C)CC2=O ZINC000587474734 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)cc(O)n3C)CC2=O ZINC000587474783 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)cc(O)n3C)CC2=O ZINC000587474784 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1CC)CC2=O ZINC000587474787 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1CC)CC2=O ZINC000587474788 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(cnn3C)c1)CC2=O ZINC000587474795 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(cnn3C)c1)CC2=O ZINC000587474797 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccco3)n(C)n1)CC2=O ZINC000587474978 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccco3)n(C)n1)CC2=O ZINC000587474979 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccn(Cc3ccccc3)n1)CC2=O ZINC000587475008 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccn(Cc3ccccc3)n1)CC2=O ZINC000587475009 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(C)c1-c1ccccc1)CC2=O ZINC000587475038 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(C)c1-c1ccccc1)CC2=O ZINC000587475039 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)n(C)n1)CC2=O ZINC000587475042 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)n(C)n1)CC2=O ZINC000587475043 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnn(C)c3)cc1)CC2=O ZINC000587475068 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnn(C)c3)cc1)CC2=O ZINC000587475069 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3cnn(C)c13)CC2=O ZINC000587475082 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3cnn(C)c13)CC2=O ZINC000587475083 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(Cc3ccccc3)C1)CC2=O ZINC000587475125 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(Cc3ccccc3)C1)CC2=O ZINC000587475126 FI Annotated Anodyne C=C(C)Cn1nc(C)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1C ZINC000587475338 FI Annotated Mild C=C(C)Cn1nc(C)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1C ZINC000587475339 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nn(C)cc3c1)CC2=O ZINC000587475389 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nn(C)cc3c1)CC2=O ZINC000587475391 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Cn1cccn1)CC2=O ZINC000587475393 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Cn1cccn1)CC2=O ZINC000587475395 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc(N3CCCC3)c1)CC2=O ZINC000587475417 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(N3CCCC3)c1)CC2=O ZINC000587475418 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3)CC1)CC2=O ZINC000587475419 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(Cn3cccn3)c1)CC2=O ZINC000587475424 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cn3cccn3)c1)CC2=O ZINC000587475425 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)nc1)CC2=O ZINC000587475429 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)nc1)CC2=O ZINC000587475430 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3C(C)C)CC2=O ZINC000587475462 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3C(C)C)CC2=O ZINC000587475466 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cccn3)cc1)CC2=O ZINC000587475492 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cccn3)cc1)CC2=O ZINC000587475494 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)c(OC)cc31)CC2=O ZINC000587475592 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)c(OC)cc31)CC2=O ZINC000587475593 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(O)c(OC)c1)CC2=O ZINC000587475609 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(O)c(OC)c1)CC2=O ZINC000587475610 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)cc3C1)CC2=O ZINC000587475667 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)cc3C1)CC2=O ZINC000587475670 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1OC)CC2=O ZINC000587475681 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1OC)CC2=O ZINC000587475689 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3c1cnn3C)CC2=O ZINC000587475918 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3c1cnn3C)CC2=O ZINC000587475919 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C(=O)O)c(C)c31)CC2=O ZINC000587475940 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C(=O)O)c(C)c31)CC2=O ZINC000587475943 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)CC(C)(C)C)CC1)CC2=O ZINC000587475964 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587476098 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587476099 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3OC)CC2=O ZINC000587476178 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3OC)CC2=O ZINC000587476179 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)C[C@H]1C(=O)OCC)CC2=O ZINC000587476255 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)C[C@H]1C(=O)OCC)CC2=O ZINC000587476256 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587476257 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587476258 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)nn1C)CC2=O ZINC000587476262 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)nn1C)CC2=O ZINC000587476264 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3cn(C)nc13)CC2=O ZINC000587476322 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3cn(C)nc13)CC2=O ZINC000587476324 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@H]1CCCN1C)CC2=O ZINC000587476500 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@@H]1CCCN1C)CC2=O ZINC000587476502 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@H]1CCCN1C)CC2=O ZINC000587476505 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@@H]1CCCN1C)CC2=O ZINC000587476507 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccco1)(c1ccco1)CC2=O ZINC000587476555 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccco1)(c1ccco1)CC2=O ZINC000587476558 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccco1)([C@@H](O)c1ccco1)CC2=O ZINC000587476584 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccco1)([C@H](O)c1ccco1)CC2=O ZINC000587476586 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccco1)([C@H](O)c1ccco1)CC2=O ZINC000587476589 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccco1)([C@@H](O)c1ccco1)CC2=O ZINC000587476592 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C)c(C(=O)O)c31)CC2=O ZINC000587476611 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C)c(C(=O)O)c31)CC2=O ZINC000587476613 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(C)o1)CC2=O ZINC000587476658 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(C)o1)CC2=O ZINC000587476664 FI Annotated Anodyne C#CCOc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OC ZINC000587476853 FI Annotated Mild C#CCOc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OC ZINC000587476856 FI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCc3c1c(CC)nn3CC)CC2=O ZINC000587476870 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1c(CC)nn3CC)CC2=O ZINC000587476872 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(C1CCCCC1)CC2=O ZINC000587476888 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(C1CCCCC1)CC2=O ZINC000587476891 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)OCC)c1)CC2=O ZINC000587476898 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)OCC)c1)CC2=O ZINC000587476899 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C)c1OC)CC2=O ZINC000587476901 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C)c1OC)CC2=O ZINC000587476905 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)[C@H](C)C1)CC2=O ZINC000587476915 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)[C@@H](C)C1)CC2=O ZINC000587476918 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)[C@@H](C)C1)CC2=O ZINC000587476921 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)[C@H](C)C1)CC2=O ZINC000587476924 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C(C(C)(C)C)=CC1=O)CC2=O ZINC000587476944 FI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C(C(C)(C)C)=CC1=O)CC2=O ZINC000587476946 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc(C)cn3)o1)CC2=O ZINC000587476949 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc(C)cn3)o1)CC2=O ZINC000587476952 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1OC)CC2=O ZINC000587477021 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1OC)CC2=O ZINC000587477024 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C(C)(C)C)c1C)CC2=O ZINC000587477098 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C(C)(C)C)c1C)CC2=O ZINC000587477099 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCOC)CC2=O ZINC000587477129 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCOC)CC2=O ZINC000587477130 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CC(C(=O)OC)C2 ZINC000587477131 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)OC)c1)CC2=O ZINC000587477140 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)OC)c1)CC2=O ZINC000587477141 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C(=O)OC)cc1)CC2=O ZINC000587477146 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C(=O)OC)cc1)CC2=O ZINC000587477147 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1N1CCCCC1)CC2=O ZINC000587477204 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N1CCCCC1)CC2=O ZINC000587477206 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C3CCCCC3)CC1)CC2=O ZINC000587477372 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCC[C@H]1CC)CC2=O ZINC000587477479 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCCC[C@@H]1CC)CC2=O ZINC000587477495 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCCC[C@@H]1CC)CC2=O ZINC000587477498 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCCC[C@H]1CC)CC2=O ZINC000587477502 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C(=O)OCC)C1CCCC1)CC2=O ZINC000587477503 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)C1CCCC1)CC2=O ZINC000587477506 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C(=O)OCC)C1CCCC1)CC2=O ZINC000587477518 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OCC)C1CCCC1)CC2=O ZINC000587477520 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCCOC)CC2=O ZINC000587477522 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCCOC)CC2=O ZINC000587477529 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587477581 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@H](CC)C(=O)OCC)CC2=O ZINC000587477584 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@H](CC)C(=O)OCC)CC2=O ZINC000587477585 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587477586 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O)c(OC)c1)CC2=O ZINC000587477630 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O)c(OC)c1)CC2=O ZINC000587477632 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)ccc3C1)CC2=O ZINC000587477665 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)ccc3C1)CC2=O ZINC000587477666 FI Annotated Anodyne C#CCCOc1ccccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477685 FI Annotated Mild C#CCCOc1ccccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477687 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1OCOC)CC2=O ZINC000587477705 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCOC)cc1)CC2=O ZINC000587477706 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCOC)cc1)CC2=O ZINC000587477711 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1OCOC)CC2=O ZINC000587477715 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)CCCCC(=O)OC)CC2=O ZINC000587477806 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)CCCCC(=O)OC)CC2=O ZINC000587477808 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)CCCCC(=O)OC)CC2=O ZINC000587477811 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)CCCCC(=O)OC)CC2=O ZINC000587477813 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587477894 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1OC)CC2=O ZINC000587477896 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)nc1)CC2=O ZINC000587477982 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)nc1)CC2=O ZINC000587477983 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1C)CC2=O ZINC000587478152 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1C)CC2=O ZINC000587478155 FI Annotated Anodyne C#CCOc1ccc(OC)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478207 FI Annotated Mild C#CCOc1ccc(OC)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478212 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@H]1CCC[C@@H](C(=O)OCC)C1)CC2=O ZINC000587478227 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCC[C@@H](C(=O)OCC)C1)CC2=O ZINC000587478230 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCC[C@H](C(=O)OCC)C1)CC2=O ZINC000587478236 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCC[C@H](C(=O)OCC)C1)CC2=O ZINC000587478238 FI Annotated Anodyne C#CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587478258 FI Annotated Mild C#CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587478260 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCc1ccccc1)CC2=O ZINC000587478477 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCc1ccccc1)CC2=O ZINC000587478522 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOC)cc1)CC2=O ZINC000587478633 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOC)cc1)CC2=O ZINC000587478636 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587478663 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587478667 FI Annotated Anodyne CCCc1ccc2c(c1)[C@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 ZINC000587478739 FI Annotated Anodyne CCCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 ZINC000587478742 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cnn(C)c3c1)CC2=O ZINC000587478757 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cnn(C)c3c1)CC2=O ZINC000587478761 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1C)CC2=O ZINC000587478891 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1C)CC2=O ZINC000587478892 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)c(OC)c1)CC2=O ZINC000587478932 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)c(OC)c1)CC2=O ZINC000587478935 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(OC)cccc1OC)CC2=O ZINC000587478981 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(OC)cccc1OC)CC2=O ZINC000587478982 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1OCc1ccccc1)CC2=O ZINC000587479003 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1OCc1ccccc1)CC2=O ZINC000587479005 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1OCc1ccccc1)CC2=O ZINC000587479007 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1OCc1ccccc1)CC2=O ZINC000587479008 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(CC)c1C)(C(C)C)CC2=O ZINC000587479112 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(CC)c1C)(C(C)C)CC2=O ZINC000587479113 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nn(C)c3ccccc13)CC2=O ZINC000587479117 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nn(C)c3ccccc13)CC2=O ZINC000587479119 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(C(=O)O)c1)CC2=O ZINC000587479170 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(C(=O)O)c1)CC2=O ZINC000587479171 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(COC)ccc1OC)CC2=O ZINC000587479186 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(COC)ccc1OC)CC2=O ZINC000587479187 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CC[C@@H](C(=O)OCC)CC1)CC2=O ZINC000587479310 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CC[C@@H](C(=O)OCC)CC1)CC2=O ZINC000587479311 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C(=O)OCC)c1ccccc1)CC2=O ZINC000587479350 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C(=O)OCC)c1ccccc1)CC2=O ZINC000587479352 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C(=O)OCC)c1ccccc1)CC2=O ZINC000587479354 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C(=O)OCC)c1ccccc1)CC2=O ZINC000587479356 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587479449 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587479453 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC1CCC1)CC2=O ZINC000587479456 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC1CCC1)CC2=O ZINC000587479459 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(C)c(CO)c1C)CC2=O ZINC000587479550 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(C)c(CO)c1C)CC2=O ZINC000587479575 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccc(O)cc21 ZINC000587479657 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccc(O)cc21 ZINC000587479660 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cn(C)nc3c1)CC2=O ZINC000587479754 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cn(C)nc3c1)CC2=O ZINC000587479758 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(CC)(CC)C(=O)OCC)CC2=O ZINC000587479801 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(c3nc(CC)no3)CC1)CC2=O ZINC000587479940 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CC[C@H]1C(=O)OC ZINC000587480014 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CC[C@@H]1C(=O)OC ZINC000587480020 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CC[C@@H]1C(=O)OC ZINC000587480025 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CC[C@H]1C(=O)OC ZINC000587480028 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1(C(=O)O)CC1)CC2=O ZINC000587480034 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1(C(=O)O)CC1)CC2=O ZINC000587480039 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c(-c3ccc[nH]3)cc1OC)CC2=O ZINC000587480109 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(-c3ccc[nH]3)cc1OC)CC2=O ZINC000587480118 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)cc1OC)CC2=O ZINC000587480126 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)cc1OC)CC2=O ZINC000587480130 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587480159 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587480161 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)c(OC)c1O)CC2=O ZINC000587480174 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)c(OC)c1O)CC2=O ZINC000587480176 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)cc(OC)c1)CC2=O ZINC000587480277 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)cc(OC)c1)CC2=O ZINC000587480279 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(CC)(CC)C(=O)OCC)CC2=O ZINC000587480365 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOC)cc1)CC2=O ZINC000587480450 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOC)cc1)CC2=O ZINC000587480451 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C(C)C)cc21 ZINC000587480526 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C(C)C)cc21 ZINC000587480529 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(c3nc(C)no3)CC1)CC2=O ZINC000587480633 FI Annotated Anodyne C=C1C=C(C)n2ncc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)c2N1 ZINC000587480737 FI Annotated Anodyne C=C1C=C(C)n2ncc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)c2N1 ZINC000587480745 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(C)c(C(C)=O)c1C)CC2=O ZINC000587480846 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(C)c(C(C)=O)c1C)CC2=O ZINC000587480855 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)cc(OC)c1O)CC2=O ZINC000587480916 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(CC)cc(OC)c1O)CC2=O ZINC000587480921 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cnn(C)c3)c1)CC2=O ZINC000587480980 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cnn(C)c3)c1)CC2=O ZINC000587480981 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-n1cccn1)CC2=O ZINC000587481041 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-n1cccn1)CC2=O ZINC000587481043 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(Cc2ccccc2)C1 ZINC000587481044 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(Cc2ccccc2)C1 ZINC000587481049 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)N(Cc2ccccc2)C1 ZINC000587481053 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)N(Cc2ccccc2)C1 ZINC000587481058 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C ZINC000587481104 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C ZINC000587481107 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C ZINC000587481112 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C ZINC000587481117 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC)ccc(OC)c31)CC2=O ZINC000587481244 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OC)ccc(OC)c31)CC2=O ZINC000587481246 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncon3)cc1)CC2=O ZINC000587481559 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncon3)cc1)CC2=O ZINC000587481560 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(CCC(=O)O)c1C)CC2=O ZINC000587481612 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(CCC(=O)O)c1C)CC2=O ZINC000587481615 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)C(=O)OC)CC2=O ZINC000587481655 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)C(=O)OC)CC2=O ZINC000587481659 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)C(=O)OC)CC2=O ZINC000587481661 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)C(=O)OC)CC2=O ZINC000587481663 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)C[C@@H]1C)CC2=O ZINC000587481666 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)C[C@H]1C)CC2=O ZINC000587481670 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)C[C@@H]1C)CC2=O ZINC000587481671 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)C[C@H]1C)CC2=O ZINC000587481674 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O ZINC000587481698 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O ZINC000587481707 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(COC)c1)CC2=O ZINC000587481738 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(COC)c1)CC2=O ZINC000587481739 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(OC)cc(C)c1O)CC2=O ZINC000587481792 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(OC)cc(C)c1O)CC2=O ZINC000587481800 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCN(Cc3ccccc3)C1)CC2=O ZINC000587481870 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCN(Cc3ccccc3)C1)CC2=O ZINC000587481873 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCN(Cc3ccccc3)C1)CC2=O ZINC000587481874 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCN(Cc3ccccc3)C1)CC2=O ZINC000587481877 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCC[C@@H](C)C1)CC2=O ZINC000587481895 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCC[C@H](C)C1)CC2=O ZINC000587481897 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCC[C@@H](C)C1)CC2=O ZINC000587481899 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCC[C@H](C)C1)CC2=O ZINC000587481901 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(C)o1)CC2=O ZINC000587481909 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(C)o1)CC2=O ZINC000587481916 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OCC)c(C)o1)CC2=O ZINC000587482098 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OCC)c(C)o1)CC2=O ZINC000587482101 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccnn1-c1ccccc1)CC2=O ZINC000587482139 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccnn1-c1ccccc1)CC2=O ZINC000587482141 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@H]3CO3)cc1)CC2=O ZINC000587482165 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@H]3CO3)cc1)CC2=O ZINC000587482166 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O ZINC000587482168 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O ZINC000587482170 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC(C)=O)c1)CC2=O ZINC000587482173 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC(C)=O)c1)CC2=O ZINC000587482174 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(CC)cc31)CC2=O ZINC000587482215 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(CC)cc31)CC2=O ZINC000587482216 FI Annotated Anodyne C#CCOc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587482276 FI Annotated Mild C#CCOc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587482278 FI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@@H]1C(=O)OCC ZINC000587482352 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@H]1C(=O)OCC ZINC000587482358 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@@H]1C(=O)OCC ZINC000587482363 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@H]1C(=O)OCC ZINC000587482368 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC1C(=O)CC(C)(C)CC1=O)CC2=O ZINC000587482376 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC1C(=O)CC(C)(C)CC1=O)CC2=O ZINC000587482379 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(/C=C/C(=O)OC)cc1)CC2=O ZINC000587482385 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(/C=C/C(=O)OC)cc1)CC2=O ZINC000587482389 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(C)C)(CC(=O)OCC)CC2=O ZINC000587482421 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(C)C)(CC(=O)OCC)CC2=O ZINC000587482423 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OCC)CCCC1)CC2=O ZINC000587482426 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CCCC1)CC2=O ZINC000587482428 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC(C)(C)C)CC2=O ZINC000587482431 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC(C)(C)C)CC2=O ZINC000587482433 FI Annotated Anodyne CCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482498 FI Annotated Anodyne CCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482501 FI Annotated Anodyne CCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482504 FI Annotated Anodyne CCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482505 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C)(C(=O)OCC)CC1)CC2=O ZINC000587482599 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1C(=O)OCC)CC2=O ZINC000587482607 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1C(=O)OCC)CC2=O ZINC000587482611 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1C(=O)OCC)CC2=O ZINC000587482614 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1C(=O)OCC)CC2=O ZINC000587482618 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587482704 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587482707 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3ccc(OC)cc13)CC2=O ZINC000587482759 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3ccc(OC)cc13)CC2=O ZINC000587482766 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]c(O)cc3c1)CC2=O ZINC000587482789 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]c(O)cc3c1)CC2=O ZINC000587482792 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(O)cc1)CC2=O ZINC000587482807 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(O)cc1)CC2=O ZINC000587482808 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1nc3ccccc3o1)CC2=O ZINC000587482810 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1nc3ccccc3o1)CC2=O ZINC000587482812 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ncc[nH]1)CC2=O ZINC000587482832 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ncc[nH]1)CC2=O ZINC000587482841 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3noc(C)n3)c1)CC2=O ZINC000587482852 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3noc(C)n3)c1)CC2=O ZINC000587482854 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1C)CC2=O ZINC000587482975 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1C)CC2=O ZINC000587482976 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(O)c(OC)c1)CC2=O ZINC000587482978 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(O)c(OC)c1)CC2=O ZINC000587482989 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(C)cc1OC)CC2=O ZINC000587483057 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(C)cc1OC)CC2=O ZINC000587483058 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587483174 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587483177 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)C[C@H]1C(=O)OCC)CC2=O ZINC000587483178 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)C[C@H]1C(=O)OCC)CC2=O ZINC000587483181 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCC)CC2=O ZINC000587483227 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCC)CC2=O ZINC000587483230 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(OC)cc(C)cc31)CC2=O ZINC000587483250 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(OC)cc(C)cc31)CC2=O ZINC000587483259 FI Annotated Anodyne C=C1CC([C@]2(C3CCOCC3)CC(=O)c3ccc(O)c(CCC)c3O2)C1 ZINC000587483301 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O ZINC000587483310 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O ZINC000587483314 FI Annotated Anodyne C=C1CC([C@@]2(C3CCOCC3)CC(=O)c3ccc(O)c(CCC)c3O2)C1 ZINC000587483327 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc3c1O[C@@H](C)C3)CC2=O ZINC000587483334 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc3c1O[C@H](C)C3)CC2=O ZINC000587483346 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc3c1O[C@H](C)C3)CC2=O ZINC000587483349 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc3c1O[C@@H](C)C3)CC2=O ZINC000587483353 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C=O)c3ccccn13)CC2=O ZINC000587483358 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C=O)c3ccccn13)CC2=O ZINC000587483365 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@H]1CCCCC13OCCO3)CC2=O ZINC000587483445 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@@H]1CCCCC13OCCO3)CC2=O ZINC000587483464 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@H]1CCCCC13OCCO3)CC2=O ZINC000587483469 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@@H]1CCCCC13OCCO3)CC2=O ZINC000587483473 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(=O)OCC)CC2=O ZINC000587483483 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(=O)OCC)CC2=O ZINC000587483488 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)[nH]c3ccccc13)CC2=O ZINC000587483492 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)[nH]c3ccccc13)CC2=O ZINC000587483496 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587483515 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587483519 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCOC)c1)CC2=O ZINC000587483528 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCOC)c1)CC2=O ZINC000587483534 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c(O)nc1-c1ccccc1)CC2=O ZINC000587483557 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(O)nc1-c1ccccc1)CC2=O ZINC000587483562 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(C)=O)c1C)CC2=O ZINC000587483572 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(C)=O)c1C)CC2=O ZINC000587483576 FI Annotated Anodyne C#CCOc1c(OC)cccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587483677 FI Annotated Mild C#CCOc1c(OC)cccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587483679 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCOC)CC2=O ZINC000587483684 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCOC)CC2=O ZINC000587483688 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCCN1)CC2=O ZINC000587483756 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCCCN1)CC2=O ZINC000587483770 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCCCN1)CC2=O ZINC000587483773 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCCN1)CC2=O ZINC000587483775 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ncc(C)cc13)CC2=O ZINC000587483822 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ncc(C)cc13)CC2=O ZINC000587483830 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccc(C)cc3[nH]1)CC2=O ZINC000587483884 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccc(C)cc3[nH]1)CC2=O ZINC000587483885 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc3ccccc3c21 ZINC000587483887 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc3ccccc3c21 ZINC000587483894 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1cnc(OC)cc1C)CC2=O ZINC000587483916 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cnc(OC)cc1C)CC2=O ZINC000587483926 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484071 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484074 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484077 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484081 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(OC)cc1OC)CC2=O ZINC000587484123 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(OC)cc1OC)CC2=O ZINC000587484125 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccc1OC)CC2=O ZINC000587484153 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccc1OC)CC2=O ZINC000587484156 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(C(=O)O)ccc13)CC2=O ZINC000587484425 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(C(=O)O)ccc13)CC2=O ZINC000587484426 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(C)=O)(c1ccc(C)cc1)CC2=O ZINC000587484468 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(c1ccc(C)cc1)CC2=O ZINC000587484472 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(CC(=O)OCC)CC1)CC2=O ZINC000587484735 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3cc(OC)ccc31)CC2=O ZINC000587484826 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3cc(OC)ccc31)CC2=O ZINC000587484828 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(OC)ccc31)CC2=O ZINC000587484840 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(OC)ccc31)CC2=O ZINC000587484860 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccccc1O)CC2=O ZINC000587484875 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccccc1O)CC2=O ZINC000587484880 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccccc1O)CC2=O ZINC000587484883 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccccc1O)CC2=O ZINC000587484885 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O ZINC000587484900 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O ZINC000587484901 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O ZINC000587484903 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)CC2=O ZINC000587484905 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCNCC1)CC2=O ZINC000587484984 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCNCC1)CC2=O ZINC000587484988 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3ccc(OC)cc31)CC2=O ZINC000587485009 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3ccc(OC)cc31)CC2=O ZINC000587485012 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(OC)c3C1)CC2=O ZINC000587485052 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(OC)c3C1)CC2=O ZINC000587485053 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(OCc2ccccc2)C1 ZINC000587485061 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(cccc3OC)C1)CC2=O ZINC000587485135 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(cccc3OC)C1)CC2=O ZINC000587485138 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccccc3)no1)CC2=O ZINC000587485203 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccccc3)no1)CC2=O ZINC000587485205 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@@H](C)O)CC2=O ZINC000587485394 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@@H](C)O)CC2=O ZINC000587485398 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@H](C)O)CC2=O ZINC000587485401 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCCC1)CC2=O ZINC000587485446 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCCC1)CC2=O ZINC000587485448 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CC(=O)OCC)CC2=O ZINC000587485454 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CC(=O)OCC)CC2=O ZINC000587485456 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CC(=O)OCC)CC2=O ZINC000587485457 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CC(=O)OCC)CC2=O ZINC000587485459 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccccc1C)CC2=O ZINC000587485471 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccccc1C)CC2=O ZINC000587485474 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C)cc1)CC2=O ZINC000587485524 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C)cc1)CC2=O ZINC000587485525 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(C)=O)c(C)nc1C)CC2=O ZINC000587485603 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(C)=O)c(C)nc1C)CC2=O ZINC000587485605 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CC1CCC3(CC1)OCCO3)CC2=O ZINC000587485717 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CC1CCC3(CC1)OCCO3)CC2=O ZINC000587485721 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(OC)ccc31)CC2=O ZINC000587485808 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)nc1C)CC2=O ZINC000587485812 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)nc1C)CC2=O ZINC000587485814 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(OC)ccc31)CC2=O ZINC000587485830 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3ccccc3c1=O)CC2=O ZINC000587485849 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3ccccc3c1=O)CC2=O ZINC000587485852 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@H](C)O)CC2=O ZINC000587485902 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(CCC(=O)O)oc1C)CC2=O ZINC000587485995 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CCC(=O)O)oc1C)CC2=O ZINC000587485998 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c3ncccc13)CC2=O ZINC000587486231 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c3ncccc13)CC2=O ZINC000587486250 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cnccn1)(c1ccccc1)CC2=O ZINC000587486267 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cnccn1)(c1ccccc1)CC2=O ZINC000587486271 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2cc(O)ccc21 ZINC000587486383 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2cc(O)ccc21 ZINC000587486387 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587486418 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587486422 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccco3)nc1)CC2=O ZINC000587486484 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccco3)nc1)CC2=O ZINC000587486489 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@]1(c3ccccc3)CCOC1)CC2=O ZINC000587486619 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@]1(c3ccccc3)CCOC1)CC2=O ZINC000587486621 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@]1(c3ccccc3)CCOC1)CC2=O ZINC000587486624 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@]1(c3ccccc3)CCOC1)CC2=O ZINC000587486626 FI Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587486736 FI Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587486739 FI Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587486741 FI Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587486743 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(CC)n3ccccc13)CC2=O ZINC000587486883 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(CC)n3ccccc13)CC2=O ZINC000587486886 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1nc(C)no1)CC2=O ZINC000587486908 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1nc(C)no1)CC2=O ZINC000587486911 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nc(O)oc3c1)CC2=O ZINC000587487080 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nc(O)oc3c1)CC2=O ZINC000587487107 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(C(=O)O)c13)CC2=O ZINC000587487159 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(C(=O)O)c13)CC2=O ZINC000587487162 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCNC1)CC2=O ZINC000587487338 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCCNC1)CC2=O ZINC000587487342 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCCNC1)CC2=O ZINC000587487345 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCNC1)CC2=O ZINC000587487348 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1cncnc1)CC2=O ZINC000587487369 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1cncnc1)CC2=O ZINC000587487385 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1cncnc1)CC2=O ZINC000587487389 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1cncnc1)CC2=O ZINC000587487394 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1OC(C)C)CC2=O ZINC000587487730 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1OC(C)C)CC2=O ZINC000587487735 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(O)c(C)c(C)c1O)CC2=O ZINC000587487760 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(O)c(C)c(C)c1O)CC2=O ZINC000587487763 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)CC2=O ZINC000587487775 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)CC2=O ZINC000587487777 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)O)c1CC)CC2=O ZINC000587487860 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)O)c1CC)CC2=O ZINC000587487862 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc3ccccn13)CC2=O ZINC000587488043 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc3ccccn13)CC2=O ZINC000587488050 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ncccn1)CC2=O ZINC000587488057 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ncccn1)CC2=O ZINC000587488060 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccccn1)CC2=O ZINC000587488117 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccccn1)CC2=O ZINC000587488121 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2n[nH]c(C)c21 ZINC000587488132 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2n[nH]c(C)c21 ZINC000587488144 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cc3ccc[nH]3)[nH]1)CC2=O ZINC000587488162 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cc3ccc[nH]3)[nH]1)CC2=O ZINC000587488165 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3nc(C)no3)c1)CC2=O ZINC000587488181 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3nc(C)no3)c1)CC2=O ZINC000587488185 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)CC2=O ZINC000587488528 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)CC2=O ZINC000587488529 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)CC2=O ZINC000587488531 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)CC2=O ZINC000587488533 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000587488673 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1cccnc1)CC2=O ZINC000587488808 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1cccnc1)CC2=O ZINC000587488809 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O)c(O)c1)CC2=O ZINC000587488991 FI Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O)c(O)c1)CC2=O ZINC000587488992 FI Annotated Clean CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CN(C(C)(C)C)C2 ZINC000587489079 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N)c(C#N)c1Cl)CC2=O ZINC000587489128 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1sc(N)c(C#N)c1Cl)CC2=O ZINC000587489134 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C#N)n3ccccc13)CC2=O ZINC000587489241 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C#N)n3ccccc13)CC2=O ZINC000587489246 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1cnccc1C)CC2=O ZINC000587489384 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1cnccc1C)CC2=O ZINC000587489385 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cccnc2-c2ncccc21 ZINC000587489408 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CP(=O)(OCC)OCC)CC2=O ZINC000587489438 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CP(=O)(OCC)OCC)CC2=O ZINC000587489439 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cnccc3nc1C)CC2=O ZINC000587489498 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3cnccc3nc1C)CC2=O ZINC000587489502 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C ZINC000587489588 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C ZINC000587489593 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(C(=O)O)ccc31)CC2=O ZINC000587489618 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(C(=O)O)ccc31)CC2=O ZINC000587489625 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C=O)n3ccccc13)CC2=O ZINC000587489661 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C=O)n3ccccc13)CC2=O ZINC000587489664 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](CC(=O)O)c2ccccc21 ZINC000587490010 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](CC(=O)O)c2ccccc21 ZINC000587490014 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](CC(=O)O)c2ccccc21 ZINC000587490018 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](CC(=O)O)c2ccccc21 ZINC000587490022 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)c3ccccc31)CC2=O ZINC000587490036 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)c3ccccc31)CC2=O ZINC000587490040 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)O)c3ccccc31)CC2=O ZINC000587490042 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)c3ccccc31)CC2=O ZINC000587490045 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2ncccc2-c2cccnc21 ZINC000587490057 FI Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccncc1)(c1ccncc1)CC2=O ZINC000587490150 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc(CC)nc1S)CC2=O ZINC000587490564 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc(CC)nc1S)CC2=O ZINC000587490569 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(C)c(C)cc31)CC2=O ZINC000587491001 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)(C)O)cc1)CC2=O ZINC000587491004 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)(C)O)cc1)CC2=O ZINC000587491005 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(C)c(C)cc31)CC2=O ZINC000587491008 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(O)ccc21 ZINC000587491036 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(O)ccc21 ZINC000587491044 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(C1CCOCC1)CC2=O ZINC000587491074 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(C1CCOCC1)CC2=O ZINC000587491080 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccncn1)(c1ccccc1)CC2=O ZINC000587491100 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccncn1)(c1ccccc1)CC2=O ZINC000587491102 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CSc1nc(C)cc(C)n1)CC2=O ZINC000587491122 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CSc1nc(C)cc(C)n1)CC2=O ZINC000587491123 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(OC)cc31)CC2=O ZINC000587491150 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccc(OC)cc31)CC2=O ZINC000587491153 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3ccc(C)cc3c1=O)CC2=O ZINC000587491195 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc(C)cc3c1=O)CC2=O ZINC000587491196 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)C[C@@H](C)O3)CC2=O ZINC000587491198 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)C[C@H](C)O3)CC2=O ZINC000587491200 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)C[C@H](C)O3)CC2=O ZINC000587491202 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)C[C@@H](C)O3)CC2=O ZINC000587491204 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)c(C)cc1C)CC2=O ZINC000587491358 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)c(C)cc1C)CC2=O ZINC000587491359 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)CC2=O ZINC000587491382 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)CC2=O ZINC000587491383 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)CC2=O ZINC000587491384 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@H]1C)CC2=O ZINC000587491385 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3c(C)cccn13)CC2=O ZINC000587491457 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3c(C)cccn13)CC2=O ZINC000587491458 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)CC2=O ZINC000587491461 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)CC2=O ZINC000587491463 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C#N)(c1cccnc1)CC2=O ZINC000587491515 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C[C@H](C)C#N)(c1cccnc1)CC2=O ZINC000587491516 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C#N)(c1cccnc1)CC2=O ZINC000587491517 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C#N)(c1cccnc1)CC2=O ZINC000587491518 FI Annotated Mild C=C1C=C(C)n2c([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cnc2N1 ZINC000587491527 FI Annotated Anodyne C=C1C=C(C)n2c([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cnc2N1 ZINC000587491528 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C#N)c(S)nc1C)CC2=O ZINC000587491571 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C#N)c(S)nc1C)CC2=O ZINC000587491572 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C=O)(c1ccc(SC)cc1)CC2=O ZINC000587491590 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1ccc(SC)cc1)CC2=O ZINC000587491591 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cccc(C=O)c1)(C1CC1)CC2=O ZINC000587491658 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C=O)c1)(C1CC1)CC2=O ZINC000587491659 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(OCC)cc31)CC2=O ZINC000587491835 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(OCC)cc31)CC2=O ZINC000587491836 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3nc1C)CC2=O ZINC000587492047 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3nc1C)CC2=O ZINC000587492049 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(SC)nc1C)CC2=O ZINC000587492365 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(SC)nc1C)CC2=O ZINC000587492366 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(SC)ncc31)CC2=O ZINC000587492444 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(SC)ncc31)CC2=O ZINC000587492446 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(C(=O)O)csc31)CC2=O ZINC000587492506 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c(C(=O)O)csc31)CC2=O ZINC000587492507 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(/C)N(C)C)(c1nccs1)CC2=O ZINC000587492519 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1nccs1)CC2=O ZINC000587492521 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1nccs1)CC2=O ZINC000587492524 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(/C)N(C)C)(c1nccs1)CC2=O ZINC000587492525 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc4c(c31)CCO4)CC2=O ZINC000587492537 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc4c(c31)CCO4)CC2=O ZINC000587492540 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587492576 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587492580 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c1OCCCO3)CC2=O ZINC000587492731 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ncccn1)CC2=O ZINC000587492771 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ncccn1)CC2=O ZINC000587492773 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C1CCOCC1)CC2=O ZINC000587492828 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C1CCOCC1)CC2=O ZINC000587492831 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccncn1)CC2=O ZINC000587492846 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccncn1)CC2=O ZINC000587492849 FI Annotated Anodyne CCCc1c(O)ccc2c1OC(c1cccnc1)(c1cccnc1)CC2=O ZINC000587492860 FI Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccccn1)(c1ccccn1)CC2=O ZINC000587492885 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)ccc1C)CC2=O ZINC000587492908 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)ccc1C)CC2=O ZINC000587492912 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccc(C)cn13)CC2=O ZINC000587492920 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccc(C)cn13)CC2=O ZINC000587492923 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1/C=C/C(=O)O)CC2=O ZINC000587492938 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1/C=C/C(=O)O)CC2=O ZINC000587492940 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3cc(C)ccn3c1C)CC2=O ZINC000587492952 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3cc(C)ccn3c1C)CC2=O ZINC000587492956 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccccn1)CC2=O ZINC000587492963 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccccn1)CC2=O ZINC000587492965 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CC1)CC(C(=O)O)C3)CC2=O ZINC000587492968 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn3cc(C)ccc3n1)CC2=O ZINC000587492982 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn3cc(C)ccc3n1)CC2=O ZINC000587492985 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(Cc3cccs3)CC1)CC2=O ZINC000587493045 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C#N)c(SC)n1)CC2=O ZINC000587493078 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#N)c(SC)n1)CC2=O ZINC000587493081 FI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OCCCO3)CC2=O ZINC000587493116 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccc3c(c1)OCO3)CC2=O ZINC000587493141 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccc3c(c1)OCO3)CC2=O ZINC000587493142 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccc3c(c1)OCO3)CC2=O ZINC000587493143 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccc3c(c1)OCO3)CC2=O ZINC000587493145 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc3c(c1)OCCO3)CC2=O ZINC000587493189 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc3c(c1)OCCO3)CC2=O ZINC000587493190 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)s1)CC2=O ZINC000587493283 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)s1)CC2=O ZINC000587493284 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)OC)s1)CC2=O ZINC000587493373 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)OC)s1)CC2=O ZINC000587493375 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1nccn1C)CC2=O ZINC000587493393 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1nccn1C)CC2=O ZINC000587493397 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#CC(C)(C)O)s1)CC2=O ZINC000587493430 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(C#CC(C)(C)O)s1)CC2=O ZINC000587493431 FI Annotated Mild CCCc1c(O)ccc2c1OC1(CCN(c3nc(C)cs3)CC1)CC2=O ZINC000587493440 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)(C1CC1)CC2=O ZINC000587493698 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)(C1CC1)CC2=O ZINC000587493700 FI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CC1)OCC(C)(C)CO3)CC2=O ZINC000587493714 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(Br)n1)CC2=O ZINC000587493755 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(Br)n1)CC2=O ZINC000587493758 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3sc(=N)[nH]c13)CC2=O ZINC000587493811 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3sc(=N)[nH]c13)CC2=O ZINC000587493818 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCOC1)CC2=O ZINC000587493834 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCOC1)CC2=O ZINC000587493840 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCOC1)CC2=O ZINC000587493844 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCOC1)CC2=O ZINC000587493845 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N(C)C)nc1Cl)CC2=O ZINC000587493924 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(N(C)C)nc1Cl)CC2=O ZINC000587493925 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)nc1Cl)CC2=O ZINC000587494033 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)nc1Cl)CC2=O ZINC000587494040 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Br)s1)CC2=O ZINC000587494100 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(Br)s1)CC2=O ZINC000587494101 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc([C@H]3CCCO3)s1)CC2=O ZINC000587494102 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc([C@@H]3CCCO3)s1)CC2=O ZINC000587494105 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@H]3CCCO3)s1)CC2=O ZINC000587494107 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@@H]3CCCO3)s1)CC2=O ZINC000587494109 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc3c(c1)CCO3)CC2=O ZINC000587494201 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc3c(c1)CCO3)CC2=O ZINC000587494202 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]c(=N)sc21 ZINC000587494210 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]c(=N)sc21 ZINC000587494213 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccs1)CC2=O ZINC000587494424 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccs1)CC2=O ZINC000587494427 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CSCCc3ccccc31)CC2=O ZINC000587494464 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CSCCc3ccccc31)CC2=O ZINC000587494468 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ncc[nH]1)(c1cccs1)CC2=O ZINC000587494474 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ncc[nH]1)(c1cccs1)CC2=O ZINC000587494479 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccs1)CC2=O ZINC000587494528 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccs1)CC2=O ZINC000587494533 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccs1)CC2=O ZINC000587494536 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccs1)CC2=O ZINC000587494539 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC[C@H]3CO3)c1)CC2=O ZINC000587494547 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC[C@H]3CO3)c1)CC2=O ZINC000587494549 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC[C@@H]3CO3)c1)CC2=O ZINC000587494551 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC[C@@H]3CO3)c1)CC2=O ZINC000587494553 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N(CC)CC)s1)CC2=O ZINC000587494558 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(CC)CC)s1)CC2=O ZINC000587494567 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1scc3c1OCCO3)CC2=O ZINC000587494572 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1scc3c1OCCO3)CC2=O ZINC000587494576 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc3c(c1)OCO3)CC2=O ZINC000587494637 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc3c(c1)OCO3)CC2=O ZINC000587494638 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]c(=N)sc3c1)CC2=O ZINC000587494653 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]c(=N)sc3c1)CC2=O ZINC000587494654 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(SC)cc1)CC2=O ZINC000587494823 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(SC)cc1)CC2=O ZINC000587494826 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-n3ccnc3)cs1)CC2=O ZINC000587494999 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-n3ccnc3)cs1)CC2=O ZINC000587495001 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3nc(Cl)sc3C1)CC2=O ZINC000587495123 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3nc(Cl)sc3C1)CC2=O ZINC000587495129 FI Annotated Anodyne O=C1C[C@@H](c2cnc(O)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495223 FI Annotated Anodyne O=C1C[C@H](c2cnc(O)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495225 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)cs1)CC2=O ZINC000587495354 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)cs1)CC2=O ZINC000587495355 FI Annotated Anodyne CCCc1c(O)ccc2c1OC(c1nccs1)(c1nccs1)CC2=O ZINC000587495383 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1cccs1)CC2=O ZINC000587495386 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1cccs1)CC2=O ZINC000587495389 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)cs1)CC2=O ZINC000587495399 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Br)cs1)CC2=O ZINC000587495401 FI Annotated Anodyne O=C1C[C@@H](c2cccnc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495442 FI Annotated Anodyne O=C1C[C@H](c2cccnc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495454 FI Annotated Anodyne O=C1C[C@@H](c2cncc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495475 FI Annotated Anodyne O=C1C[C@H](c2cncc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495478 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2sc(=N)[nH]c21 ZINC000587495553 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2sc(=N)[nH]c21 ZINC000587495556 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCCC3)s1)CC2=O ZINC000587495657 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCCC3)s1)CC2=O ZINC000587495661 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nccs1)CC2=O ZINC000587495701 FI Annotated Anodyne Nc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Br ZINC000587495702 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nccs1)CC2=O ZINC000587495704 FI Annotated Anodyne Nc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Br ZINC000587495707 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cccs1)CC2=O ZINC000587495750 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cccs1)CC2=O ZINC000587495751 FI Annotated Anodyne CCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587495855 FI Annotated Anodyne CCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587495867 FI Annotated Anodyne C=CCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587495896 FI Annotated Mild C=CCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587495897 FI Annotated Mild CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(C)s1)CC2=O ZINC000587495899 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(C)s1)CC2=O ZINC000587495901 FI Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 ZINC000587495921 FI Annotated Anodyne O=C1C[C@H](c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 ZINC000587495924 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(N)sc3c1CCC3)CC2=O ZINC000587496075 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)sc3c1CCC3)CC2=O ZINC000587496078 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1sc(N)c3C#N)CC2=O ZINC000587496190 FI Annotated Mild O=C1C[C@](CCl)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 ZINC000587496227 FI Annotated Reactive O=C1C[C@@](CCl)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 ZINC000587496230 FI Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(Cl)c12 ZINC000587496232 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(Cl)c12 ZINC000587496235 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)cccc12 ZINC000587496262 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)cccc12 ZINC000587496263 FI Annotated Anodyne O=C1C[C@@H](c2c(Cl)cnc3c2OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587496280 FI Annotated Anodyne O=C1C[C@H](c2c(Cl)cnc3c2OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587496281 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sccc1C(=O)OCC)CC2=O ZINC000587496350 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sccc1C(=O)OCC)CC2=O ZINC000587496351 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(COC(C)=O)cs1)CC2=O ZINC000587496367 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(COC(C)=O)cs1)CC2=O ZINC000587496368 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(OC)nc1Cl)CC2=O ZINC000587496406 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(OC)nc1Cl)CC2=O ZINC000587496410 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(Cl)s1)CC2=O ZINC000587496450 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(Cl)s1)CC2=O ZINC000587496454 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(CN(C)C)cs1)CC2=O ZINC000587496468 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CN(C)C)cs1)CC2=O ZINC000587496470 FI Annotated Anodyne Nc1ncc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496553 FI Annotated Anodyne Nc1ncc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496556 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)s1)([C@@H](C)O)CC2=O ZINC000587496666 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)s1)([C@@H](C)O)CC2=O ZINC000587496669 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)s1)([C@H](C)O)CC2=O ZINC000587496670 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)s1)([C@H](C)O)CC2=O ZINC000587496671 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1sc(N)c3C#N)CC2=O ZINC000587496693 FI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3sc(C)cn13)CC2=O ZINC000587496910 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3sc(C)cn13)CC2=O ZINC000587496914 FI Annotated Anodyne O=C1C[C@@H](c2cnc3[nH]cnc(Cl)c2-3)Oc2c1ccc1c2CCCC1 ZINC000587496939 FI Annotated Anodyne O=C1C[C@H](c2cnc3[nH]cnc(Cl)c2-3)Oc2c1ccc1c2CCCC1 ZINC000587496942 FI Annotated Anodyne Cc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1 ZINC000587497007 FI Annotated Anodyne Cc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1 ZINC000587497009 FI Annotated Anodyne O=C(O)c1cnc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497041 FI Annotated Anodyne O=C(O)c1cnc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497043 FI Annotated Anodyne Cc1nn(CCCl)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497102 FI Annotated Reactive Cc1nn(CCCl)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497108 FI Annotated Reactive Nc1cc(Br)cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497133 FI Annotated Anodyne Nc1cc(Br)cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497134 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3SCCS[C@@H]31)CC2=O ZINC000587497356 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3SCCS[C@H]31)CC2=O ZINC000587497368 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3SCCS[C@H]31)CC2=O ZINC000587497369 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3SCCS[C@@H]31)CC2=O ZINC000587497370 FI Annotated Anodyne O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc2O1 ZINC000587497458 FI Annotated Anodyne O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc2O1 ZINC000587497460 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCCCC3)s1)CC2=O ZINC000587497612 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCCCC3)s1)CC2=O ZINC000587497622 FI Annotated Anodyne COC(=O)c1coc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497649 FI Annotated Reactive COC(=O)c1coc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497650 FI Annotated Reactive O=C1C[C@@H](c2cncc3c(Cl)n[nH]c23)Oc2c1ccc1c2CCCC1 ZINC000587497923 FI Annotated Anodyne O=C1C[C@H](c2cncc3c(Cl)n[nH]c23)Oc2c1ccc1c2CCCC1 ZINC000587497929 FI Annotated Anodyne N#CC[C@@]1(c2cc(Cl)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498224 FI Annotated Mild N#CC[C@]1(c2cc(Cl)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498235 FI Annotated Mild C[C@@]1(c2cnc3ccc(Cl)nn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498426 FI Annotated Anodyne C[C@]1(c2cnc3ccc(Cl)nn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498428 FI Annotated Anodyne O=C1C[C@@H](c2cnn(CC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587498506 FI Annotated Anodyne O=C1C[C@H](c2cnn(CC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587498514 FI Annotated Anodyne Cc1ccc(Cl)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587498540 FI Annotated Anodyne Cc1ccc(Cl)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587498541 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc3sccn13)CC2=O ZINC000587498618 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc3sccn13)CC2=O ZINC000587498626 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Cl)cc12 ZINC000587498667 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Cl)cc12 ZINC000587498668 FI Annotated Anodyne O=C1C[C@@H](c2ccnc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587499035 FI Annotated Anodyne O=C1C[C@H](c2ccnc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587499036 FI Annotated Anodyne O=C1C[C@@H](c2cccc(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587499037 FI Annotated Anodyne O=C1C[C@H](c2cccc(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587499038 FI Annotated Anodyne Cc1ccc(Cl)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499044 FI Annotated Anodyne Cc1ccc(Cl)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499046 FI Annotated Anodyne O=C1C[C@@H](Cc2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587499086 FI Annotated Anodyne O=C1C[C@H](Cc2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587499087 FI Annotated Anodyne CN(C)c1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499090 FI Annotated Anodyne CN(C)c1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499091 FI Annotated Anodyne O=C1C[C@@H](c2cnc3[nH]c(Cl)ncc2-3)Oc2c1ccc1c2CCCC1 ZINC000587499121 FI Annotated Anodyne O=C1C[C@H](c2cnc3[nH]c(Cl)ncc2-3)Oc2c1ccc1c2CCCC1 ZINC000587499122 FI Annotated Anodyne COc1ncc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587499150 FI Annotated Anodyne COc1ncc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587499154 FI Annotated Anodyne O=C1C[C@@](C(=O)O)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499363 FI Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499368 FI Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499396 FI Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499399 FI Annotated Anodyne O=C1C[C@@H](c2ccc(Br)nc2)Oc2c1ccc1c2CCCC1 ZINC000587499754 FI Annotated Anodyne O=C1C[C@H](c2ccc(Br)nc2)Oc2c1ccc1c2CCCC1 ZINC000587499757 FI Annotated Anodyne O=C1C[C@@H](c2nccn2CC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587499762 FI Annotated Anodyne O=C1C[C@H](c2nccn2CC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587499763 FI Annotated Anodyne O=C1C[C@]2(CCNc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587499826 FI Annotated Anodyne O=C1C[C@@]2(CCNc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587499835 FI Annotated Anodyne C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499843 FI Annotated Anodyne C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499844 FI Annotated Anodyne O=C1C[C@@H](c2ccn(CC(F)(F)F)n2)Oc2c1ccc1c2CCCC1 ZINC000587499864 FI Annotated Anodyne O=C1C[C@H](c2ccn(CC(F)(F)F)n2)Oc2c1ccc1c2CCCC1 ZINC000587499867 FI Annotated Anodyne Cc1cc(Cl)cc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499924 FI Annotated Anodyne Cc1cc(Cl)cc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499928 FI Annotated Anodyne Cc1oc(C(=O)O)cc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500101 FI Annotated Reactive Cc1oc(C(=O)O)cc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500113 FI Annotated Reactive C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500277 FI Annotated Bother C[C@]1(c2cc(F)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500279 FI Annotated Bother CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 ZINC000587500357 FI Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 ZINC000587500359 FI Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500465 FI Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500467 FI Annotated Anodyne COC(C)(C)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500607 FI Annotated Reactive COC(C)(C)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500608 FI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3scc(C)n13)CC2=O ZINC000587500655 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3scc(C)n13)CC2=O ZINC000587500657 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCC)nc3sccn13)CC2=O ZINC000587500664 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OCC)nc3sccn13)CC2=O ZINC000587500665 FI Annotated Anodyne O=C1C[C@@H](c2nc3c(cc2Cl)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587500686 FI Annotated Anodyne O=C1C[C@H](c2nc3c(cc2Cl)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587500688 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc3sccn13)CC2=O ZINC000587500728 FI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc3sccn13)CC2=O ZINC000587500730 FI Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500791 FI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500792 FI Annotated Anodyne O=C1C[C@@H](c2ccncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587500803 FI Annotated Anodyne O=C1C[C@H](c2ccncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587500805 FI Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500867 FI Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500870 FI Annotated Mild CCOC(=O)[C@@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500872 FI Annotated Mild CCOC(=O)[C@@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500874 FI Annotated Mild CCOC(=O)[C@@]1(CCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500906 FI Annotated Anodyne CCOC(=O)[C@]1(CCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500911 FI Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC#N ZINC000587500944 FI Annotated Mild COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC#N ZINC000587500951 FI Annotated Mild COC(=O)C[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501104 FI Annotated Anodyne COC(=O)C[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501109 FI Annotated Anodyne C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501194 FI Annotated Bother COC1=C(Br)[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501195 FI Annotated Anodyne C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501198 FI Annotated Bother COC1=C(Br)[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501200 FI Annotated Anodyne O=NCC1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501223 FI Annotated Anodyne O=NCC1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501225 FI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O ZINC000587501269 FI Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O ZINC000587501270 FI Annotated Anodyne O=C1CC2(CCN(CCC(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501327 FI Annotated Anodyne N#Cc1cc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587501333 FI Annotated Mild N#Cc1cc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587501348 FI Annotated Mild O=C1C[C@@H](c2cnc3n[nH]c(Cl)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587501448 FI Annotated Anodyne O=C1C[C@](CBr)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587501776 FI Annotated Reactive O=C1C[C@@](CBr)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587501777 FI Annotated Reactive O=C1C[C@H](c2cnc3n[nH]c(Cl)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587502016 FI Annotated Anodyne Cc1cc(Cl)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587502099 FI Annotated Anodyne Cc1cc(Cl)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587502101 FI Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Cl ZINC000587502135 FI Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1Cl ZINC000587502137 FI Annotated Anodyne N=c1[nH]c2cc(Cl)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587502246 FI Annotated Anodyne N=c1[nH]c2cc(Cl)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587502248 FI Annotated Anodyne COC(=O)N(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587502280 FI Annotated Anodyne COC(=O)N(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587502289 FI Annotated Anodyne Cc1[nH]nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br ZINC000587502307 FI Annotated Anodyne Cc1[nH]nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br ZINC000587502310 FI Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2cnccn2)Oc2c1ccc1c2CCCC1 ZINC000587502389 FI Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2cnccn2)Oc2c1ccc1c2CCCC1 ZINC000587502394 FI Annotated Anodyne O=C1C[C@@H](c2cc(F)cc3c2OCOC3)Oc2c1ccc1c2CCCC1 ZINC000587502399 FI Annotated Anodyne O=C1C[C@H](c2cc(F)cc3c2OCOC3)Oc2c1ccc1c2CCCC1 ZINC000587502412 FI Annotated Anodyne Cn1nc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F ZINC000587502502 FI Annotated Anodyne COC(=O)c1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587502513 FI Annotated Anodyne Cn1nc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(F)(F)F ZINC000587502514 FI Annotated Anodyne COC(=O)c1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587502518 FI Annotated Anodyne O=C1C[C@H]([C@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587502913 FI Annotated Anodyne O=C1C[C@H]([C@@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587502915 FI Annotated Anodyne O=C1C[C@@H]([C@@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587502916 FI Annotated Anodyne O=C1C[C@@H]([C@]2(c3cccc(F)c3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587502918 FI Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502922 FI Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502924 FI Annotated Anodyne N#CC[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503001 FI Annotated Mild N#CC[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503007 FI Annotated Mild Cn1c(Cl)nc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503047 FI Annotated Anodyne Cn1c(Cl)nc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503053 FI Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2ncnc(Cl)c21 ZINC000587503059 FI Annotated Anodyne Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2ncnc(Cl)c21 ZINC000587503061 FI Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1C#N ZINC000587503237 FI Annotated Mild CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1C#N ZINC000587503242 FI Annotated Mild CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(Cl)c21 ZINC000587503249 FI Annotated Anodyne CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(Cl)c21 ZINC000587503255 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)cc(Cl)c12 ZINC000587503302 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)cc(Cl)c12 ZINC000587503304 FI Annotated Anodyne O=C1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2N1 ZINC000587503352 FI Annotated Anodyne O=C1C[C@@](Cc2ccc(Cl)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587503356 FI Annotated Anodyne O=C1C[C@](Cc2ccc(Cl)cc2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587503357 FI Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccn2)Oc2c1ccc1c2CCCC1 ZINC000587503375 FI Annotated Anodyne O=C1C[C@H](c2cc(Br)ccn2)Oc2c1ccc1c2CCCC1 ZINC000587503377 FI Annotated Anodyne O=C1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2N1 ZINC000587503387 FI Annotated Anodyne O=C1CC2(CCN(c3cccc(F)n3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587503482 FI Annotated Anodyne O=C1C[C@@H](c2c(F)cc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 ZINC000587503517 FI Annotated Bother O=C1C[C@H](c2c(F)cc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 ZINC000587503519 FI Annotated Bother CCn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587503566 FI Annotated Anodyne CCn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587503577 FI Annotated Anodyne CN(C)c1c(C#N)ccc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503627 FI Annotated Mild CN(C)c1c(C#N)ccc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503629 FI Annotated Mild C[C@@H](O)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503648 FI Annotated Anodyne C[C@@H](O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503649 FI Annotated Anodyne C[C@H](O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503651 FI Annotated Anodyne C[C@H](O)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503653 FI Annotated Anodyne Cn1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)(F)F ZINC000587503841 FI Annotated Anodyne Cn1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)(F)F ZINC000587503844 FI Annotated Anodyne O=C1C[C@@H](c2ncccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504197 FI Annotated Anodyne O=C1C[C@H](c2ncccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504198 FI Annotated Anodyne Nc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587504277 FI Annotated Anodyne Nc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587504280 FI Annotated Anodyne COC[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504489 FI Annotated Anodyne COC[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504493 FI Annotated Anodyne CN(C)CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504504 FI Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCCC3)nc2F)Oc2c1ccc1c2CCCC1 ZINC000587504508 FI Annotated Anodyne O=C1C[C@H](c2ccc(N3CCCC3)nc2F)Oc2c1ccc1c2CCCC1 ZINC000587504511 FI Annotated Anodyne CN(C)CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504512 FI Annotated Anodyne O=C1C[C@@H](c2c(F)ccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 ZINC000587504592 FI Annotated Bother O=C1C[C@H](c2c(F)ccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 ZINC000587504593 FI Annotated Bother CCOC(=O)[C@H](F)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587504794 FI Annotated Anodyne CCOC(=O)[C@H](F)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587504811 FI Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587504814 FI Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587504816 FI Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504842 FI Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504852 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Cl)ccc12 ZINC000587505212 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Cl)ccc12 ZINC000587505218 FI Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])c(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587505376 FI Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587505381 FI Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505400 FI Annotated Bother C[C@]1(c2cc([N+](=O)[O-])ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505403 FI Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC#N)c1 ZINC000587505569 FI Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC#N)c1 ZINC000587505574 FI Annotated Mild CCOC(=O)[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505589 FI Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505594 FI Annotated Anodyne COC(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505705 FI Annotated Anodyne COC(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505708 FI Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505912 FI Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505915 FI Annotated Anodyne COc1ccc([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587505941 FI Annotated Anodyne COc1ccc([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587505951 FI Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587506049 FI Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587506050 FI Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587506095 FI Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587506096 FI Annotated Anodyne N#CC[C@@H]1C[C@@H]2[C@@H](CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506174 FI Annotated Mild N#CC[C@@H]1C[C@@H]2[C@H](CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506177 FI Annotated Mild N#CC[C@@H]1C[C@@H]2[C@H](CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506180 FI Annotated Mild N#CC[C@@H]1C[C@@H]2[C@@H](CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506181 FI Annotated Mild O=C(O)CC[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506330 FI Annotated Anodyne O=C(O)CC[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506336 FI Annotated Anodyne C[C@@]1(c2cccc([N+](=O)[O-])c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506343 FI Annotated Bother C[C@]1(c2cccc([N+](=O)[O-])c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506346 FI Annotated Bother C[C@]1(CC(=O)Nc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506392 FI Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506394 FI Annotated Anodyne O=C1C[C@@]2(CCN(c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587506544 FI Annotated Anodyne O=C1C[C@]2(CCN(c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587506579 FI Annotated Anodyne O=C1C[C@]2(CCOc3c(F)cc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587506649 FI Annotated Anodyne O=C1C[C@@]2(CCOc3c(F)cc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587506655 FI Annotated Anodyne Nc1ncc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506683 FI Annotated Anodyne Nc1ncc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506686 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cc(Cl)cc12 ZINC000587506769 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cc(Cl)cc12 ZINC000587506770 FI Annotated Anodyne C[C@@]1(c2ccc(C(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506792 FI Annotated Anodyne C[C@]1(c2ccc(C(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506793 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c2ccc(Cl)c1F ZINC000587506794 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](N=O)C2 ZINC000587506940 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](N=O)C2 ZINC000587506943 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](N=O)C2 ZINC000587506945 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](N=O)C2 ZINC000587506947 FI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC#N ZINC000587507027 FI Annotated Mild COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC#N ZINC000587507028 FI Annotated Mild CN(C)CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507066 FI Annotated Anodyne CN(C)CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507067 FI Annotated Anodyne CO[C@H](C)c1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507097 FI Annotated Anodyne CO[C@H](C)c1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507098 FI Annotated Anodyne CO[C@@H](C)c1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507099 FI Annotated Anodyne CO[C@@H](C)c1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507100 FI Annotated Anodyne O=C1C[C@@](C(=O)Cl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507126 FI Annotated Reactive O=C1C[C@](C(=O)Cl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507128 FI Annotated Reactive C[C@@]1(c2c(F)ccc(F)c2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507236 FI Annotated Anodyne C[C@]1(c2c(F)ccc(F)c2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507238 FI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587507246 FI Annotated Bother COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587507249 FI Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c2ccc(Cl)c1F ZINC000587507342 FI Annotated Anodyne CCn1ncc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587507578 FI Annotated Anodyne CCn1ncc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587507579 FI Annotated Anodyne Cc1c(C(F)(F)F)n[nH]c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507700 FI Annotated Anodyne Cc1c(C(F)(F)F)n[nH]c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507701 FI Annotated Anodyne O=C1C[C@]2(CCOc3cc(F)cc(F)c32)Oc2c1ccc1c2CCCC1 ZINC000587507756 FI Annotated Anodyne O=C1C[C@@]2(CCOc3cc(F)cc(F)c32)Oc2c1ccc1c2CCCC1 ZINC000587507760 FI Annotated Anodyne COc1ccc(OCC#N)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507863 FI Annotated Mild COc1ccc(OCC#N)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507864 FI Annotated Mild O=C1C[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587507889 FI Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587507890 FI Annotated Bother CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 ZINC000587507948 FI Annotated Bother CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 ZINC000587507950 FI Annotated Bother O=C1C[C@@](CC[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587507960 FI Annotated Bother O=C1C[C@](CC[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587507962 FI Annotated Bother C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507972 FI Annotated Bother C[C@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507974 FI Annotated Bother COC(=O)c1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508070 FI Annotated Anodyne COC(=O)c1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508071 FI Annotated Anodyne C[C@@]1(c2nc3ccc(F)cc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508210 FI Annotated Anodyne C[C@]1(c2nc3ccc(F)cc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508212 FI Annotated Anodyne Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)nn1C ZINC000587508251 FI Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)nn1C ZINC000587508253 FI Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508259 FI Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508262 FI Annotated Anodyne CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508264 FI Annotated Anodyne CN[C@@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508267 FI Annotated Anodyne C[C@@]1(c2c(F)c[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508273 FI Annotated Anodyne C[C@]1(c2c(F)c[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508276 FI Annotated Anodyne O=C1C[C@]2(CCOc3cc(O)c(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587508353 FI Annotated Anodyne O=C1C[C@@]2(CCOc3cc(O)c(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587508369 FI Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508388 FI Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508391 FI Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587508505 FI Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587508507 FI Annotated Anodyne O=C1C[C@H](c2cc(F)c([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508521 FI Annotated Bother O=C1C[C@@H](c2cc(F)c([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508523 FI Annotated Bother CC(C)NC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508633 FI Annotated Anodyne CC(C)NC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508640 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508736 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508739 FI Annotated Anodyne O=C1C[C@@](C(=O)O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508874 FI Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508876 FI Annotated Anodyne Nc1ccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508919 FI Annotated Anodyne Nc1ccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508920 FI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508941 FI Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508942 FI Annotated Bother CNc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508951 FI Annotated Bother CNc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587508952 FI Annotated Bother COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] ZINC000587508953 FI Annotated Bother COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] ZINC000587508954 FI Annotated Bother C[C@@]1(c2cc(F)c(N)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508986 FI Annotated Anodyne C[C@]1(c2cc(F)c(N)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508987 FI Annotated Anodyne C[C@]1(Cn2ccc(C(F)(F)F)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509248 FI Annotated Anodyne C[C@@]1(Cn2ccc(C(F)(F)F)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509257 FI Annotated Anodyne N#CC1=COc2ccc(F)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509328 FI Annotated Reactive N#CC1=COc2ccc(F)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587509332 FI Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587509402 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587509405 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587509409 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587509411 FI Annotated Anodyne CC(C)(C)OC(=O)NCC1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587509489 FI Annotated Anodyne O=C1C[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 ZINC000587509540 FI Annotated Bother O=C1C[C@H](c2c(F)ccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 ZINC000587509541 FI Annotated Bother CN(C)c1nccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509563 FI Annotated Anodyne CN(C)c1nccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509564 FI Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509589 FI Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509594 FI Annotated Anodyne C[C@@]1(c2cccc(O)c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509675 FI Annotated Bother C[C@]1(c2cccc(O)c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509678 FI Annotated Bother O=C1C[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587509850 FI Annotated Bother O=C1C[C@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587509852 FI Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587509862 FI Annotated Bother COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587509863 FI Annotated Bother Cc1nn(C)c(C)c1[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509913 FI Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509914 FI Annotated Anodyne O=C1C[C@]2(CCOc3c(F)ccc(F)c32)Oc2c1ccc1c2CCCC1 ZINC000587509992 FI Annotated Anodyne O=C1C[C@@]2(CCOc3c(F)ccc(F)c32)Oc2c1ccc1c2CCCC1 ZINC000587509993 FI Annotated Anodyne O=C1C[C@]2(CCOc3c2ccc(O)c3F)Oc2c1ccc1c2CCCC1 ZINC000587510037 FI Annotated Anodyne O=C1C[C@@]2(CCOc3c2ccc(O)c3F)Oc2c1ccc1c2CCCC1 ZINC000587510039 FI Annotated Anodyne CC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510084 FI Annotated Anodyne CC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510087 FI Annotated Anodyne COc1ccc([C@@]2([C@H](F)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587510096 FI Annotated Mild COc1ccc([C@]2([C@H](F)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587510097 FI Annotated Mild COc1ccc([C@@]2([C@@H](F)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587510100 FI Annotated Mild COc1ccc([C@]2([C@@H](F)C#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587510102 FI Annotated Mild CN(C)C(=O)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510173 FI Annotated Anodyne CN(C)C(=O)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510174 FI Annotated Anodyne Cc1nn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl ZINC000587510262 FI Annotated Anodyne Cc1nn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl ZINC000587510263 FI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1OC ZINC000587510291 FI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1OC ZINC000587510295 FI Annotated Anodyne CNc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587510385 FI Annotated Bother CNc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587510390 FI Annotated Bother CN(C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587510500 FI Annotated Anodyne CN(C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587510503 FI Annotated Anodyne O=C1C[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510526 FI Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510527 FI Annotated Bother C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510544 FI Annotated Bother C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510545 FI Annotated Bother Cn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510646 FI Annotated Anodyne Cn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510649 FI Annotated Anodyne CCOC(=O)[C@H](C)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510650 FI Annotated Anodyne CCOC(=O)[C@H](C)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510656 FI Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)n1 ZINC000587510744 FI Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)n1 ZINC000587510746 FI Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587510780 FI Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587510782 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(Cl)cc12 ZINC000587510820 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(Cl)cc12 ZINC000587510822 FI Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510831 FI Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510833 FI Annotated Anodyne O=C1C[C@@H](c2cc(F)nc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587510844 FI Annotated Anodyne O=C1C[C@H](c2cc(F)nc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587510845 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)ccc(F)c12 ZINC000587510854 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)ccc(F)c12 ZINC000587510855 FI Annotated Anodyne Cn1ncc2cc(F)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587510858 FI Annotated Anodyne Cn1ncc2cc(F)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587510859 FI Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587510896 FI Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587510899 FI Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510960 FI Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510963 FI Annotated Unstable CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N ZINC000587511220 FI Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N ZINC000587511221 FI Annotated Anodyne COc1cc(N)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587511224 FI Annotated Anodyne COc1cc(N)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587511227 FI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587511236 FI Annotated Bother COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587511237 FI Annotated Bother CC(=O)Nc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511326 FI Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511330 FI Annotated Anodyne O=C(NC1CC1)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511368 FI Annotated Anodyne O=C(NC1CC1)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511371 FI Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587511378 FI Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587511379 FI Annotated Bother Cn1cccc1C1(c2cccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511472 FI Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587511476 FI Annotated Anodyne COc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587511478 FI Annotated Anodyne O=C1C[C@]2(CCOc3cc([N+](=O)[O-])ccc32)Oc2c1ccc1c2CCCC1 ZINC000587511480 FI Annotated Bother O=C1C[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)Oc2c1ccc1c2CCCC1 ZINC000587511483 FI Annotated Bother O=C1C[C@]2(C=COc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587511502 FI Annotated Bother O=C1C[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587511504 FI Annotated Bother O=C1C[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 ZINC000587511568 FI Annotated Bother C=CCOC(=O)NC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511570 FI Annotated Mild O=C1C[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 ZINC000587511572 FI Annotated Bother COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587511597 FI Annotated Bother COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587511599 FI Annotated Bother Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2oc(=N)[nH]c2c1 ZINC000587511688 FI Annotated Anodyne Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2oc(=N)[nH]c2c1 ZINC000587511691 FI Annotated Anodyne Cc1cccnc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511703 FI Annotated Anodyne Cc1cccnc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511705 FI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1C ZINC000587511870 FI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1C ZINC000587511871 FI Annotated Anodyne CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511878 FI Annotated Bother CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511879 FI Annotated Bother Cc1cc(C)nc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587512107 FI Annotated Anodyne Cc1cc(C)nc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587512109 FI Annotated Anodyne COc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] ZINC000587512116 FI Annotated Bother COc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] ZINC000587512118 FI Annotated Bother O=C1C[C@]2(CCOc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587512119 FI Annotated Bother O=C1C[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587512121 FI Annotated Bother Nc1ccccc1[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512226 FI Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512228 FI Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587512233 FI Annotated Bother CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587512235 FI Annotated Bother COc1ccc(N)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587512313 FI Annotated Anodyne COc1ccc(N)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587512315 FI Annotated Anodyne Nc1cccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512346 FI Annotated Anodyne Nc1cccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512349 FI Annotated Anodyne COc1cc([N+](=O)[O-])ccc1C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512360 FI Annotated Bother CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587512361 FI Annotated Bother COc1cc([N+](=O)[O-])ccc1C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512362 FI Annotated Bother CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587512363 FI Annotated Bother N=c1ncc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587512404 FI Annotated Anodyne N=c1ncc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587512408 FI Annotated Anodyne N#CC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512468 FI Annotated Mild N#CC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512469 FI Annotated Mild CCCOc1ccccc1[C@]1(CN)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512509 FI Annotated Anodyne CCCOc1ccccc1[C@@]1(CN)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512511 FI Annotated Anodyne C[C@@]1(c2ccc([N+](=O)[O-])c(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512622 FI Annotated Mild C[C@]1(c2ccc([N+](=O)[O-])c(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512624 FI Annotated Mild Cc1ccnc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512712 FI Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587512713 FI Annotated Anodyne O=C1C[C@H](c2cccn2C[C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587512921 FI Annotated Anodyne O=C1C[C@@H](c2cccn2C[C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587512931 FI Annotated Anodyne O=C1C[C@H](c2cccn2C[C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587512933 FI Annotated Anodyne O=C1C[C@@H](c2cccn2C[C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587512935 FI Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513122 FI Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513125 FI Annotated Anodyne O=C1C[C@@H](c2cnc(-c3ccccn3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587513194 FI Annotated Anodyne O=C1C[C@H](c2cnc(-c3ccccn3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587513196 FI Annotated Anodyne N#Cc1ccc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587513220 FI Annotated Mild O=C1CC(c2ccncc2)(c2ccncc2)Oc2c1ccc1c2CCCC1 ZINC000587513248 FI Annotated Anodyne O=C1CC(c2cccnc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587513306 FI Annotated Anodyne CC(=O)Nc1cccc2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513336 FI Annotated Anodyne CC(=O)Nc1cccc2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513340 FI Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587513365 FI Annotated Anodyne O=C1C[C@H](c2cnc(N3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587513370 FI Annotated Anodyne CC1(NC(=O)OC(C)(C)C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587513412 FI Annotated Anodyne Cc1nn(-c2ccncc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513551 FI Annotated Anodyne Cc1nn(-c2ccncc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513552 FI Annotated Anodyne C/C(=C\[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587513615 FI Annotated Anodyne C/C(=C\[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587513618 FI Annotated Anodyne COc1ccccc1N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587513654 FI Annotated Anodyne COc1ccccc1N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587513665 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513727 FI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513729 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513842 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513845 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513847 FI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513849 FI Annotated Anodyne COCCn1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587513897 FI Annotated Anodyne COCCn1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587513900 FI Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccnc2)n1 ZINC000587514077 FI Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccnc2)n1 ZINC000587514078 FI Annotated Anodyne Cc1nn(-c2ccccc2)c(N)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514137 FI Annotated Anodyne Cc1nn(-c2ccccc2)c(N)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514140 FI Annotated Anodyne CN(C)/C=C1\C(=O)CC(C)(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514188 FI Annotated Mild CN(C)/C=C1/C(=O)CC(C)(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514190 FI Annotated Mild CN(C)/C=C1\C(=O)CC(C)(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514191 FI Annotated Mild CN(C)/C=C1/C(=O)CC(C)(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514192 FI Annotated Mild CC(C)(C)OC(=O)NCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514261 FI Annotated Anodyne CC(C)(C)OC(=O)NCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514264 FI Annotated Anodyne Cc1cnc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587514425 FI Annotated Bother Cc1cnc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587514427 FI Annotated Bother N#CC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514440 FI Annotated Mild N#CC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514441 FI Annotated Mild Cn1ccnc1C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514446 FI Annotated Anodyne Cn1ccnc1C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514447 FI Annotated Anodyne C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514458 FI Annotated Bother C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514459 FI Annotated Bother C[C@@]1(COc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514468 FI Annotated Bother C[C@]1(COc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514469 FI Annotated Bother O=C1C[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)Oc2c1ccc1c2CCCC1 ZINC000587514564 FI Annotated Bother O=C1C[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)Oc2c1ccc1c2CCCC1 ZINC000587514566 FI Annotated Bother O=C1C[C@@](c2cccnc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587514637 FI Annotated Anodyne O=C1C[C@](c2cccnc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587514638 FI Annotated Anodyne O=C1C[C@](c2cccnc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587514748 FI Annotated Anodyne O=C1C[C@@](c2cccnc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587514749 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587514859 FI Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587514862 FI Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587514914 FI Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587514915 FI Annotated Anodyne Cc1cccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587514916 FI Annotated Anodyne Cc1cccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587514917 FI Annotated Anodyne C[C@@]1(c2cn(CCN)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515067 FI Annotated Anodyne C[C@]1(c2cn(CCN)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515068 FI Annotated Anodyne Cc1cc(C)cc(-n2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c1 ZINC000587515079 FI Annotated Anodyne Cc1cc(C)cc(-n2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c1 ZINC000587515080 FI Annotated Anodyne O=C1C[C@@](c2ccncc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587515110 FI Annotated Anodyne O=C1C[C@](c2ccncc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587515111 FI Annotated Anodyne Cn1ccnc1[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515120 FI Annotated Anodyne Cn1ccnc1[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515122 FI Annotated Anodyne Cn1ccnc1[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515125 FI Annotated Anodyne Cn1ccnc1[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515128 FI Annotated Anodyne O=C1C[C@@](c2ccncc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587515140 FI Annotated Anodyne O=C1C[C@](c2ccncc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587515143 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587515192 FI Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587515194 FI Annotated Anodyne C[C@]1(CC(=O)N2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515259 FI Annotated Anodyne C[C@@]1(CC(=O)N2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515266 FI Annotated Anodyne COc1ccc(N2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 ZINC000587515307 FI Annotated Clean COc1ccc(N2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 ZINC000587515308 FI Annotated Clean COc1ccc2c(c1)nc([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C ZINC000587515329 FI Annotated Anodyne COc1ccc2c(c1)nc([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C ZINC000587515330 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515492 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515494 FI Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587515530 FI Annotated Anodyne O=C1C[C@H](c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587515531 FI Annotated Anodyne O=C1C[C@@]2(CCN(c3ccccc3)C(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587515570 FI Annotated Anodyne O=C1C[C@]2(CCN(c3ccccc3)C(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587515571 FI Annotated Anodyne O=C1CC2(CCN(Cc3ccco3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587515594 FI Annotated Anodyne Cc1nn(-c2ccccn2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515665 FI Annotated Anodyne Cc1nn(-c2ccccn2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515666 FI Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515709 FI Annotated Clean Cc1nn(-c2ccccc2)c(O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515710 FI Annotated Clean O=C1CC(c2ccccn2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587515719 FI Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587515760 FI Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587515761 FI Annotated Anodyne O=C1C[C@@](Cc2cnccn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587516008 FI Annotated Anodyne O=C1C[C@](Cc2cnccn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587516010 FI Annotated Anodyne O=C1C[C@@H](c2ccn([C@@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 ZINC000587516015 FI Annotated Anodyne O=C1C[C@H](c2ccn([C@@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 ZINC000587516020 FI Annotated Anodyne O=C1C[C@@H](c2ccn([C@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 ZINC000587516022 FI Annotated Anodyne O=C1C[C@H](c2ccn([C@H]3CCCCO3)n2)Oc2c1ccc1c2CCCC1 ZINC000587516024 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccncn2)Oc2c1ccc1c2CCCC1 ZINC000587516039 FI Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccncn2)Oc2c1ccc1c2CCCC1 ZINC000587516040 FI Annotated Anodyne C[C@]1(c2cccc(N3CCC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516178 FI Annotated Anodyne C[C@@]1(c2cccc(N3CCC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516179 FI Annotated Anodyne COc1ccccc1-n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516245 FI Annotated Anodyne COc1ccccc1-n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516246 FI Annotated Anodyne Cc1cnn(Cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 ZINC000587516322 FI Annotated Anodyne Cc1cnn(Cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 ZINC000587516331 FI Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516378 FI Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516385 FI Annotated Anodyne O=C1C[C@@](Cc2ccccn2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587516397 FI Annotated Anodyne O=C1C[C@](Cc2ccccn2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587516399 FI Annotated Anodyne COc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)nn1C ZINC000587516451 FI Annotated Anodyne COc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)nn1C ZINC000587516452 FI Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516531 FI Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516532 FI Annotated Anodyne Cn1nccc1[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516556 FI Annotated Anodyne Cn1nccc1[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516558 FI Annotated Anodyne Cn1nccc1[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516560 FI Annotated Anodyne Cn1nccc1[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516562 FI Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccn1 ZINC000587516604 FI Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccn1 ZINC000587516609 FI Annotated Anodyne COc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587516620 FI Annotated Anodyne O=C1C[C@@]2(CCCCC[C@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 ZINC000587516623 FI Annotated Anodyne O=C1C[C@]2(CCCCC[C@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 ZINC000587516624 FI Annotated Anodyne O=C1C[C@@]2(CCCCC[C@@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 ZINC000587516625 FI Annotated Anodyne COc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587516626 FI Annotated Anodyne O=C1C[C@]2(CCCCC[C@@H]2Cn2cncn2)Oc2c1ccc1c2CCCC1 ZINC000587516627 FI Annotated Anodyne COc1ccccc1-n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516696 FI Annotated Anodyne COc1ccccc1-n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516697 FI Annotated Anodyne COc1ccc(-n2ccnc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516752 FI Annotated Anodyne COc1ccc(-n2ccnc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516753 FI Annotated Anodyne CC(C)c1nn(C)c(N(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516816 FI Annotated Anodyne CC(C)c1nn(C)c(N(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516817 FI Annotated Anodyne Cn1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516858 FI Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516859 FI Annotated Anodyne COc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 ZINC000587516924 FI Annotated Anodyne COc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 ZINC000587516925 FI Annotated Anodyne CC[C@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517100 FI Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517101 FI Annotated Anodyne CC[C@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517102 FI Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517103 FI Annotated Anodyne C[C@]1(c2ccccc2-n2ccnn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517162 FI Annotated Anodyne C[C@@]1(c2ccccc2-n2ccnn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517163 FI Annotated Anodyne C[C@]1(c2cn(-c3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517170 FI Annotated Anodyne C[C@@]1(c2cn(-c3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517171 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517212 FI Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517213 FI Annotated Anodyne O=C1C[C@@H](c2ccnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587517288 FI Annotated Anodyne O=C1C[C@H](c2ccnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587517289 FI Annotated Anodyne O=C1C[C@@H](c2ccnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587517290 FI Annotated Anodyne O=C1C[C@H](c2ccnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587517291 FI Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1-n1cccn1 ZINC000587517338 FI Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1-n1cccn1 ZINC000587517339 FI Annotated Anodyne CCOCCCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 ZINC000587517340 FI Annotated Anodyne CCOCCCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 ZINC000587517341 FI Annotated Anodyne CCOCCCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 ZINC000587517342 FI Annotated Anodyne CCOCCCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 ZINC000587517343 FI Annotated Anodyne C[C@]1(c2ccc(-n3cncn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517388 FI Annotated Anodyne C[C@@]1(c2ccc(-n3cncn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517389 FI Annotated Anodyne C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587517495 FI Annotated Anodyne C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587517496 FI Annotated Anodyne C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587517497 FI Annotated Anodyne C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587517498 FI Annotated Anodyne C[C@]1(c2cn(Cc3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517543 FI Annotated Anodyne C[C@@]1(c2cn(Cc3ccccc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517544 FI Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nn2)cc1 ZINC000587517582 FI Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nn2)cc1 ZINC000587517583 FI Annotated Anodyne COc1ccc(-n2cccn2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587517592 FI Annotated Anodyne COc1ccc(-n2cccn2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587517593 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517751 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517752 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517753 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517754 FI Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1-n1cncn1 ZINC000587517851 FI Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1-n1cncn1 ZINC000587517852 FI Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccccc1 ZINC000587517958 FI Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccccc1 ZINC000587517959 FI Annotated Anodyne C[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517979 FI Annotated Anodyne C[C@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517980 FI Annotated Anodyne C[C@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517981 FI Annotated Anodyne C[C@@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517982 FI Annotated Anodyne Cn1cc([C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 ZINC000587518075 FI Annotated Anodyne Cn1cc([C@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 ZINC000587518076 FI Annotated Anodyne Cn1cc([C@@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 ZINC000587518077 FI Annotated Anodyne Cn1cc([C@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2(C)C)cn1 ZINC000587518078 FI Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518079 FI Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518080 FI Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518081 FI Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518082 FI Annotated Anodyne O=C1C[C@H](c2ccccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587518085 FI Annotated Anodyne O=C1C[C@@H](c2ccccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587518086 FI Annotated Anodyne CC(C)N1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518089 FI Annotated Anodyne CN1C(=O)CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587518349 FI Annotated Anodyne CN1C(=O)CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587518350 FI Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)ccc21 ZINC000587518440 FI Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)ccc21 ZINC000587518441 FI Annotated Anodyne O=C1C[C@H](c2cccc(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587518455 FI Annotated Anodyne O=C1C[C@@H](c2cccc(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587518456 FI Annotated Anodyne CC(C)N1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518488 FI Annotated Anodyne CC(C)N1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518489 FI Annotated Anodyne CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518503 FI Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518679 FI Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518680 FI Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518681 FI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]2CN(Cc2ccccc2)C1 ZINC000587518723 FI Annotated Anodyne COc1cc(C)c(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587518974 FI Annotated Anodyne COc1cc(C)c(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587518975 FI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCC[C@H]2CN(C2CC2)C1 ZINC000587519271 FI Annotated Anodyne O=C1C[C@H](c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587519284 FI Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587519285 FI Annotated Anodyne C[C@H](Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O ZINC000587520525 FI Annotated Anodyne C[C@H](Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O ZINC000587520526 FI Annotated Anodyne C[C@@H](Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O ZINC000587520527 FI Annotated Anodyne C[C@@H](Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O ZINC000587520528 FI Annotated Anodyne O=C(O)CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520550 FI Annotated Anodyne O=C(O)CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520551 FI Annotated Anodyne CCOC(=O)C[C@@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520660 FI Annotated Anodyne CCOC(=O)C[C@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520665 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587520744 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587520747 FI Annotated Anodyne C#CCOc1c(OC)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520858 FI Annotated Mild C#CCOc1c(OC)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520865 FI Annotated Mild CCOC(=O)C1(C)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521005 FI Annotated Anodyne C[C@H](Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587521044 FI Annotated Anodyne C[C@H](Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587521045 FI Annotated Anodyne C[C@@H](Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587521046 FI Annotated Anodyne C[C@@H](Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587521047 FI Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521115 FI Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521122 FI Annotated Anodyne COc1ccc(OC)c2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521147 FI Annotated Anodyne COc1ccc(OC)c2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521151 FI Annotated Anodyne Cc1cc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n2n1 ZINC000587521157 FI Annotated Anodyne Cc1cc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)n2n1 ZINC000587521170 FI Annotated Anodyne Cc1[nH]nc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 ZINC000587521230 FI Annotated Anodyne Cc1[nH]nc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 ZINC000587521232 FI Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587521302 FI Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587521322 FI Annotated Anodyne COc1ccc(COC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521451 FI Annotated Anodyne COc1ccc(COC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521455 FI Annotated Anodyne CC1(C)Cc2nc(O)ccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521540 FI Annotated Anodyne CC1(C)Cc2nc(O)ccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521550 FI Annotated Anodyne O=C(O)CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521557 FI Annotated Anodyne O=C(O)CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521560 FI Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587521636 FI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587521647 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521683 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521684 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521685 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521686 FI Annotated Anodyne COCOc1ccc(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521688 FI Annotated Anodyne COCOc1ccc(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521690 FI Annotated Anodyne C[C@]1(CC(=O)OCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521707 FI Annotated Anodyne CC1(C)CC(=O)C(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 ZINC000587521829 FI Annotated Anodyne CC1(C)CC(=O)C(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 ZINC000587521831 FI Annotated Anodyne C[C@@]1(CC(=O)OCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521876 FI Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1OC ZINC000587521919 FI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1OC ZINC000587521925 FI Annotated Anodyne COC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587521939 FI Annotated Anodyne COC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587521950 FI Annotated Anodyne COC(=O)c1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521956 FI Annotated Anodyne COC(=O)c1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521968 FI Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587522076 FI Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587522078 FI Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587522160 FI Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587522178 FI Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587522185 FI Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587522191 FI Annotated Anodyne COc1cc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587522194 FI Annotated Anodyne COCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587522232 FI Annotated Anodyne COCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587522235 FI Annotated Anodyne O=C1C[C@@](Cc2ccncn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587522263 FI Annotated Anodyne O=C1C[C@](Cc2ccncn2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587522265 FI Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO ZINC000587522275 FI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO ZINC000587522288 FI Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522292 FI Annotated Anodyne CCOc1ccc(C(=O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522297 FI Annotated Anodyne COCCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522435 FI Annotated Anodyne COCCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522436 FI Annotated Anodyne COc1cc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587522532 FI Annotated Anodyne COC(=O)[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522781 FI Annotated Anodyne COC(=O)[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522788 FI Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522791 FI Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522792 FI Annotated Anodyne CCOC(=O)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587522811 FI Annotated Anodyne CCOC(=O)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587522812 FI Annotated Anodyne COC(=O)c1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522817 FI Annotated Anodyne COC(=O)c1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522818 FI Annotated Anodyne COC(=O)c1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522858 FI Annotated Anodyne COC(=O)c1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522866 FI Annotated Anodyne CCOC(=O)CC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522925 FI Annotated Anodyne COCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522978 FI Annotated Anodyne COCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522990 FI Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523011 FI Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523019 FI Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523135 FI Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523137 FI Annotated Anodyne Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523140 FI Annotated Anodyne Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523144 FI Annotated Anodyne Cc1noc(C2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)n1 ZINC000587523273 FI Annotated Anodyne COC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587523280 FI Annotated Anodyne COC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587523284 FI Annotated Anodyne COC(=O)C1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523496 FI Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523617 FI Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523622 FI Annotated Anodyne CCOC(=O)[C@@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523623 FI Annotated Anodyne CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523624 FI Annotated Anodyne COCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523655 FI Annotated Anodyne COCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523656 FI Annotated Anodyne COCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587523691 FI Annotated Anodyne COCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587523694 FI Annotated Anodyne CC(=O)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523769 FI Annotated Anodyne CC(=O)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523770 FI Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523777 FI Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523779 FI Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523781 FI Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523784 FI Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587523823 FI Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587523827 FI Annotated Anodyne Cc1[nH]c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O ZINC000587524134 FI Annotated Anodyne Cc1[nH]c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O ZINC000587524135 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 ZINC000587524372 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C1 ZINC000587524373 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 ZINC000587524374 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C1 ZINC000587524375 FI Annotated Anodyne CCOc1ccc([C@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524384 FI Annotated Mild CCOc1ccc([C@@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524385 FI Annotated Mild C#CCOc1ccc(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524534 FI Annotated Mild C#CCOc1ccc(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524535 FI Annotated Mild CCOC(=O)[C@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524537 FI Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524539 FI Annotated Anodyne O=C1C[C@](c2ccccc2)(C2CCNCC2)Oc2c1ccc1c2CCCC1 ZINC000587524628 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)(C2CCNCC2)Oc2c1ccc1c2CCCC1 ZINC000587524632 FI Annotated Anodyne O=C1C[C@@H](c2c[nH]nc2-c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587524654 FI Annotated Anodyne O=C1C[C@H](c2c[nH]nc2-c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587524663 FI Annotated Anodyne O=C(O)c1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 ZINC000587524739 FI Annotated Anodyne O=C(O)c1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 ZINC000587524752 FI Annotated Anodyne O=C1C[C@H](c2[nH]c(O)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587524789 FI Annotated Anodyne O=C1C[C@@H](c2[nH]c(O)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587524791 FI Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587524948 FI Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587524949 FI Annotated Anodyne C[C@@H](O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524958 FI Annotated Anodyne C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524961 FI Annotated Anodyne C[C@H](O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524963 FI Annotated Anodyne C[C@@H](O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524964 FI Annotated Anodyne CCOC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C ZINC000587524978 FI Annotated Anodyne COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2C1=O ZINC000587524983 FI Annotated Mild CCOC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c1C ZINC000587524984 FI Annotated Anodyne COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2C1=O ZINC000587524985 FI Annotated Mild CCCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587525000 FI Annotated Anodyne CCCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587525004 FI Annotated Anodyne COC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525040 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525045 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525046 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525047 FI Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525048 FI Annotated Anodyne COC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525050 FI Annotated Anodyne O=C1C[C@]2(CCC(=O)N3CCc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587525064 FI Annotated Anodyne O=C1C[C@@]2(CCC(=O)N3CCc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587525080 FI Annotated Anodyne CCOC(=O)[C@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525174 FI Annotated Anodyne CCOC(=O)[C@@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525176 FI Annotated Anodyne CC(=O)Oc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525192 FI Annotated Anodyne CC(=O)Oc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525196 FI Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525300 FI Annotated Anodyne CC(=O)OC[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525303 FI Annotated Anodyne COc1cccc(OC)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525499 FI Annotated Anodyne COc1cccc(OC)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525500 FI Annotated Anodyne O=C1C[C@@]2(CCCn3c(O)nc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587525525 FI Annotated Anodyne O=C1C[C@]2(CCCn3c(O)nc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587525527 FI Annotated Anodyne COc1cc(OC)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525546 FI Annotated Anodyne COc1cc(OC)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525547 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C ZINC000587525686 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C ZINC000587525689 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C ZINC000587525690 FI Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C ZINC000587525692 FI Annotated Anodyne CCOC(=O)[C@@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525727 FI Annotated Anodyne CCOC(=O)[C@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525728 FI Annotated Anodyne CCOC(=O)[C@@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525730 FI Annotated Anodyne CCOC(=O)[C@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525732 FI Annotated Anodyne COCOc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525735 FI Annotated Anodyne COCOc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525736 FI Annotated Anodyne COC(=O)C[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525752 FI Annotated Anodyne O=C1C[C@@H](c2c[nH]c3cccc(C(=O)O)c23)Oc2c1ccc1c2CCCC1 ZINC000587525754 FI Annotated Anodyne O=C1C[C@H](c2c[nH]c3cccc(C(=O)O)c23)Oc2c1ccc1c2CCCC1 ZINC000587525755 FI Annotated Anodyne COC(=O)C[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525760 FI Annotated Anodyne CCOC(=O)c1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587525783 FI Annotated Anodyne CCOC(=O)c1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587525784 FI Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525939 FI Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525951 FI Annotated Anodyne O=C(O)CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525954 FI Annotated Anodyne O=C(O)CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525955 FI Annotated Anodyne C[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587525974 FI Annotated Anodyne C[C@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587525975 FI Annotated Anodyne C[C@@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587525976 FI Annotated Anodyne C[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587525978 FI Annotated Anodyne C[C@]1(COc2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525980 FI Annotated Anodyne C[C@@]1(COc2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525981 FI Annotated Anodyne COCCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525988 FI Annotated Anodyne COCCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525989 FI Annotated Anodyne O=C1C[C@H](c2c(C(=O)O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587526078 FI Annotated Anodyne O=C1C[C@@H](c2c(C(=O)O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587526079 FI Annotated Anodyne COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C=C1C(C)(C)C ZINC000587526107 FI Annotated Mild COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C=C1C(C)(C)C ZINC000587526114 FI Annotated Mild COC(=O)/C=C/c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526117 FI Annotated Anodyne COC(=O)/C=C/c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526120 FI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526188 FI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526190 FI Annotated Anodyne CCOC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526228 FI Annotated Anodyne CCOC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526232 FI Annotated Anodyne CCOC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526236 FI Annotated Anodyne CCOC(=O)C[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526240 FI Annotated Anodyne COC(=O)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526336 FI Annotated Anodyne COC(=O)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526339 FI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccnc1-c1ncccc12 ZINC000587526344 FI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526349 FI Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526364 FI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@H]2CCCNC2)Oc2c1ccc1c2CCCC1 ZINC000587526434 FI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@@H]2CCCNC2)Oc2c1ccc1c2CCCC1 ZINC000587526437 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)([C@@H]2CCCNC2)Oc2c1ccc1c2CCCC1 ZINC000587526440 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)([C@H]2CCCNC2)Oc2c1ccc1c2CCCC1 ZINC000587526444 FI Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCCO ZINC000587526499 FI Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCCO ZINC000587526508 FI Annotated Anodyne Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CCC(=O)O ZINC000587526586 FI Annotated Anodyne Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CCC(=O)O ZINC000587526592 FI Annotated Anodyne C#CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587526623 FI Annotated Mild C#CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC ZINC000587526625 FI Annotated Mild C[C@H](Oc1ccccc1O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526706 FI Annotated Anodyne C[C@@H](Oc1ccccc1O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526709 FI Annotated Anodyne C[C@@H](Oc1ccccc1O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526710 FI Annotated Anodyne C[C@H](Oc1ccccc1O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526711 FI Annotated Anodyne COc1ccc2c(c1OC)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526993 FI Annotated Anodyne COc1ccc2c(c1OC)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526995 FI Annotated Anodyne COC1=CC(=O)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527042 FI Annotated Mild COC1=CC(=O)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527046 FI Annotated Mild CCOC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 ZINC000587527215 FI Annotated Anodyne CCOC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 ZINC000587527219 FI Annotated Anodyne CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527341 FI Annotated Anodyne CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527342 FI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1ncccc1-c1cccnc12 ZINC000587527361 FI Annotated Anodyne COC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527519 FI Annotated Anodyne COC(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527520 FI Annotated Anodyne COC(=O)[C@@H]1CCC(C)(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527523 FI Annotated Anodyne COC(=O)[C@@H]1CCC(C)(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527525 FI Annotated Anodyne COC(=O)[C@H]1CCC(C)(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527527 FI Annotated Anodyne COC(=O)[C@H]1CCC(C)(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527528 FI Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527568 FI Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527569 FI Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527571 FI Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527572 FI Annotated Anodyne COC(=O)c1cc(OC)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527634 FI Annotated Anodyne COC(=O)c1cc(OC)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527636 FI Annotated Anodyne Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527709 FI Annotated Anodyne Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527710 FI Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527832 FI Annotated Anodyne CCOC(=O)C[C@]1(CC2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527834 FI Annotated Anodyne COC(=O)c1cc(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528112 FI Annotated Anodyne COC(=O)c1cc(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528113 FI Annotated Anodyne COc1ccc2[nH]c(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587528283 FI Annotated Anodyne COc1ccc2[nH]c(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587528284 FI Annotated Anodyne O=C1C[C@@](c2cnoc2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 ZINC000587528317 FI Annotated Anodyne O=C1C[C@](c2cnoc2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 ZINC000587528318 FI Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528357 FI Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528358 FI Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587528367 FI Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587528368 FI Annotated Anodyne C[C@]1([C@@H](C#N)c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528426 FI Annotated Mild C[C@@]1([C@H](C#N)c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528427 FI Annotated Mild C[C@@]1([C@@H](C#N)c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528428 FI Annotated Mild C[C@]1([C@H](C#N)c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528429 FI Annotated Mild O=C(O)c1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528586 FI Annotated Anodyne O=C(O)c1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528587 FI Annotated Anodyne CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528606 FI Annotated Anodyne CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528607 FI Annotated Anodyne C[C@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528608 FI Annotated Anodyne C[C@@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528609 FI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587528967 FI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@@H]2C[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587528968 FI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@H]2C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587528969 FI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@@H]2C[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587528970 FI Annotated Anodyne O=C1C[C@@]2(CC[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529016 FI Annotated Anodyne O=C1C[C@]2(CC[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529017 FI Annotated Anodyne O=C1C[C@]2(CC[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529019 FI Annotated Anodyne O=C1C[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529020 FI Annotated Anodyne CC(C)(O)C#Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529027 FI Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529030 FI Annotated Mild O=C(O)CCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529098 FI Annotated Anodyne O=C(O)CCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529099 FI Annotated Anodyne O=C1CC2(CCC3(CC2)CC(C(=O)O)C3)Oc2c1ccc1c2CCCC1 ZINC000587529107 FI Annotated Anodyne O=C1CC2(CC(C(=O)O)(c3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587529148 FI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529268 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529269 FI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529270 FI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529271 FI Annotated Anodyne CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529296 FI Annotated Anodyne CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529297 FI Annotated Anodyne Cc1cc2c(cc1C)[C@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529535 FI Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529539 FI Annotated Anodyne C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529600 FI Annotated Anodyne C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529602 FI Annotated Anodyne C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529604 FI Annotated Anodyne C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529605 FI Annotated Anodyne O=C(O)C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587529607 FI Annotated Anodyne O=C(O)C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587529609 FI Annotated Anodyne O=C(O)C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587529610 FI Annotated Anodyne O=C(O)C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587529611 FI Annotated Anodyne C[C@@]1(c2cc(CC(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529628 FI Annotated Anodyne C[C@]1(c2cc(CC(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529640 FI Annotated Anodyne CN(C)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529685 FI Annotated Anodyne CN(C)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529687 FI Annotated Anodyne COC(=O)c1csc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529694 FI Annotated Anodyne COC(=O)c1csc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529695 FI Annotated Anodyne Cn1ccnc1[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529718 FI Annotated Anodyne Cn1ccnc1[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529724 FI Annotated Anodyne O=C1C[C@@](c2ccccc2)(C2(C(=O)O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529847 FI Annotated Anodyne O=C1C[C@](c2ccccc2)(C2(C(=O)O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529848 FI Annotated Anodyne C[C@](O)(C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529885 FI Annotated Anodyne C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529886 FI Annotated Anodyne C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529887 FI Annotated Anodyne C[C@](O)(C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529888 FI Annotated Anodyne C[C@@]1(c2scc3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530246 FI Annotated Anodyne C[C@]1(c2scc3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530248 FI Annotated Anodyne C[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530425 FI Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530429 FI Annotated Anodyne C[C@]1([C@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530466 FI Annotated Anodyne C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530468 FI Annotated Anodyne C[C@@]1([C@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530470 FI Annotated Anodyne C[C@@]1([C@@H]2Cc3ccccc3C(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530472 FI Annotated Anodyne O=C1C[C@H](c2ccc(N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587530611 FI Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCOCC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587530614 FI Annotated Anodyne O=C1C[C@@H](c2ccc(Sc3nc[nH]n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587530758 FI Annotated Anodyne O=C1C[C@H](c2ccc(Sc3nc[nH]n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587530764 FI Annotated Anodyne O=C(O)CCc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530883 FI Annotated Anodyne O=C(O)CCc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530884 FI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 ZINC000587530885 FI Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531102 FI Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531104 FI Annotated Anodyne CC(=O)SCC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531182 FI Annotated Reactive CC(=O)SCC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531189 FI Annotated Reactive Cc1nc(S)c(C#N)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531209 FI Annotated Mild Cc1nc(S)c(C#N)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531212 FI Annotated Mild C[C@@]1(c2ccc(NC(N)=S)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531241 FI Annotated Anodyne C[C@]1(c2ccc(NC(N)=S)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531244 FI Annotated Anodyne C[C@@]1(c2cccc(NC(N)=S)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531272 FI Annotated Anodyne C[C@]1(c2cccc(NC(N)=S)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531273 FI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 ZINC000587531316 FI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 ZINC000587531317 FI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 ZINC000587531318 FI Annotated Anodyne COCCc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531448 FI Annotated Anodyne COCCc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531449 FI Annotated Anodyne CCOC(=O)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531451 FI Annotated Anodyne CCOC(=O)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531452 FI Annotated Anodyne Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531523 FI Annotated Anodyne Cc1oc2c(c1C(=O)O)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531524 FI Annotated Anodyne CC(=O)NCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531560 FI Annotated Anodyne CC(=O)NCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531562 FI Annotated Anodyne O=C1C[C@@](c2ncc[nH]2)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531565 FI Annotated Anodyne C[S@](=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531572 FI Annotated Anodyne C[S@](=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531574 FI Annotated Anodyne C[S@@](=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531575 FI Annotated Anodyne O=C1C[C@](c2ncc[nH]2)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531576 FI Annotated Anodyne C[S@@](=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531579 FI Annotated Anodyne O=C(O)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531661 FI Annotated Anodyne CSc1ncc2c(n1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531704 FI Annotated Anodyne CSc1ncc2c(n1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531706 FI Annotated Anodyne CCc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 ZINC000587531787 FI Annotated Anodyne CCc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 ZINC000587531788 FI Annotated Anodyne O=C(O)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531794 FI Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)o1 ZINC000587531973 FI Annotated Anodyne COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)o1 ZINC000587531975 FI Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587532035 FI Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587532036 FI Annotated Anodyne CSc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C#N ZINC000587532103 FI Annotated Mild CSc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C#N ZINC000587532111 FI Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532228 FI Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532231 FI Annotated Mild C[C@@]1(CCc2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532238 FI Annotated Clean C[C@]1(CCc2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532239 FI Annotated Clean Cc1oc(CCC(=O)O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532769 FI Annotated Anodyne Cc1oc(CCC(=O)O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532775 FI Annotated Anodyne CCc1oc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)OC ZINC000587532810 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 ZINC000587532860 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(S)n1 ZINC000587532861 FI Annotated Anodyne CSc1ccc([C@@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532884 FI Annotated Mild CSc1ccc([C@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532887 FI Annotated Mild O=C(O)c1ccc2c(c1)OC=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532910 FI Annotated Anodyne O=C(O)c1ccc2c(c1)OC=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532913 FI Annotated Anodyne CCc1oc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)OC ZINC000587533150 FI Annotated Anodyne O=C1C[C@](C(=O)c2ccco2)(c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587533274 FI Annotated Anodyne O=C1C[C@@](C(=O)c2ccco2)(c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587533278 FI Annotated Anodyne COC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533372 FI Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533380 FI Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533381 FI Annotated Anodyne CCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533463 FI Annotated Anodyne CCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533464 FI Annotated Anodyne COC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533484 FI Annotated Anodyne N#Cc1c(N)sc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587533493 FI Annotated Mild N#Cc1c(N)sc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587533494 FI Annotated Mild O=C1C[C@](C(=O)O)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 ZINC000587533511 FI Annotated Anodyne O=C1C[C@@](C(=O)O)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 ZINC000587533512 FI Annotated Anodyne COC(=O)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533559 FI Annotated Anodyne COC(=O)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533560 FI Annotated Anodyne CSc1ncc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587533680 FI Annotated Anodyne CSc1ncc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587533695 FI Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533722 FI Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533725 FI Annotated Anodyne CCOC(=O)C[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533946 FI Annotated Anodyne CCOC(=O)C[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533947 FI Annotated Anodyne O=C1C[C@@H](c2csc(-c3ncccn3)n2)Oc2c1ccc1c2CCCC1 ZINC000587534001 FI Annotated Anodyne O=C1C[C@H](c2csc(-c3ncccn3)n2)Oc2c1ccc1c2CCCC1 ZINC000587534008 FI Annotated Anodyne O=C1C[C@]2(CCCc3occ(C(=O)O)c32)Oc2c1ccc1c2CCCC1 ZINC000587534029 FI Annotated Anodyne O=C1C[C@@]2(CCCc3occ(C(=O)O)c32)Oc2c1ccc1c2CCCC1 ZINC000587534030 FI Annotated Anodyne O=C1CC2(CCN(c3nccs3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587534182 FI Annotated Anodyne CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 ZINC000587534444 FI Annotated Anodyne CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 ZINC000587534452 FI Annotated Anodyne Cn1cc(-c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 ZINC000587534456 FI Annotated Anodyne Cn1cc(-c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 ZINC000587534457 FI Annotated Anodyne O=C1C[C@@H](c2cnc(-c3cnccn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587534526 FI Annotated Anodyne O=C1C[C@H](c2cnc(-c3cnccn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587534527 FI Annotated Anodyne O=C1C[C@@H](C[C@@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587534584 FI Annotated Anodyne O=C1C[C@@H](C[C@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587534600 FI Annotated Anodyne O=C1C[C@H](C[C@@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587534604 FI Annotated Anodyne O=C1C[C@H](C[C@H]2CCCCC23OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587534609 FI Annotated Anodyne COC(=O)c1coc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534653 FI Annotated Anodyne COC(=O)c1coc2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534655 FI Annotated Anodyne O=C1C[C@@](c2ccco2)([C@@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587534796 FI Annotated Anodyne O=C1C[C@@](c2ccco2)([C@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587534797 FI Annotated Anodyne O=C1C[C@](c2ccco2)([C@@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587534798 FI Annotated Anodyne O=C1C[C@](c2ccco2)([C@H](O)c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587534799 FI Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C)o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534842 FI Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C)o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534843 FI Annotated Anodyne C[C@]1(c2cccc(OC[C@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534994 FI Annotated Anodyne C[C@@]1(c2cccc(OC[C@@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534997 FI Annotated Anodyne C[C@@]1(c2cccc(OC[C@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534999 FI Annotated Anodyne C[C@]1(c2cccc(OC[C@@H]3CO3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535000 FI Annotated Anodyne O=C1C[C@@H](c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587535020 FI Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587535021 FI Annotated Anodyne CN(C)c1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535043 FI Annotated Anodyne CN(C)c1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535044 FI Annotated Anodyne O=C1C[C@@H](c2cnc(-c3ncccn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535079 FI Annotated Anodyne O=C1C[C@H](c2cnc(-c3ncccn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535080 FI Annotated Anodyne O=C1CC2(CCN(Cc3cscn3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587535154 FI Annotated Anodyne O=C1C[C@H](c2ncc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587535354 FI Annotated Anodyne O=C1C[C@@H](c2ncc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587535358 FI Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCCC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535472 FI Annotated Anodyne O=C1C[C@H](c2cnc(N3CCCC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535476 FI Annotated Anodyne Cc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCO2 ZINC000587535556 FI Annotated Anodyne Cc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCO2 ZINC000587535557 FI Annotated Anodyne O=C1CC(c2nccs2)(c2nccs2)Oc2c1ccc1c2CCCC1 ZINC000587535585 FI Annotated Anodyne O=C1C[C@@]2(CCc3cc4c(cc32)OCCO4)Oc2c1ccc1c2CCCC1 ZINC000587535708 FI Annotated Anodyne O=C1C[C@]2(CCc3cc4c(cc32)OCCO4)Oc2c1ccc1c2CCCC1 ZINC000587535709 FI Annotated Anodyne O=C1C[C@H](c2cnc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587535746 FI Annotated Anodyne O=C1C[C@@H](c2cnc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587535748 FI Annotated Anodyne Cc1csc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)n1 ZINC000587535937 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536014 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536015 FI Annotated Anodyne Cc1ccc2c(c1)OC[C@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536047 FI Annotated Anodyne Cc1ccc2c(c1)OC[C@@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536048 FI Annotated Anodyne O=C1C[C@H](CCc2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536187 FI Annotated Anodyne O=C1C[C@@H](CCc2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536188 FI Annotated Anodyne O=C1C[C@H](CC2CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536243 FI Annotated Anodyne O=C1C[C@@H](CC2CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536244 FI Annotated Anodyne C[C@]1(c2ccc(OC[C@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536252 FI Annotated Anodyne C[C@@]1(c2ccc(OC[C@@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536253 FI Annotated Anodyne C[C@@]1(c2ccc(OC[C@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536254 FI Annotated Anodyne C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536255 FI Annotated Anodyne CCN(C(C)=O)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536313 FI Annotated Anodyne CCN(C(C)=O)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536314 FI Annotated Anodyne C=CCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536337 FI Annotated Mild C=CCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536338 FI Annotated Mild CC(=O)Nc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536339 FI Annotated Anodyne CC(=O)Nc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536340 FI Annotated Anodyne C[C@@]1(c2c(N)sc3c2CCOC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536343 FI Annotated Anodyne C[C@]1(c2c(N)sc3c2CCOC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536344 FI Annotated Anodyne COc1ccc2c(c1)OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536467 FI Annotated Anodyne COc1ccc2c(c1)OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536468 FI Annotated Anodyne COc1cccc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536548 FI Annotated Anodyne Cn1cc(-c2csc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cn1 ZINC000587536549 FI Annotated Anodyne Cn1cc(-c2csc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cn1 ZINC000587536550 FI Annotated Anodyne COc1cccc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536552 FI Annotated Anodyne CCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536583 FI Annotated Anodyne CCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536584 FI Annotated Anodyne O=C1C[C@H](c2nc(Br)cs2)Oc2c1ccc1c2CCCC1 ZINC000587536589 FI Annotated Anodyne O=C1C[C@@H](c2nc(Br)cs2)Oc2c1ccc1c2CCCC1 ZINC000587536590 FI Annotated Anodyne CCOC(=O)c1csc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587536643 FI Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587536644 FI Annotated Anodyne N#Cc1c(N)sc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536651 FI Annotated Mild N#Cc1c(N)sc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536652 FI Annotated Mild C/C(=C/[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587536667 FI Annotated Anodyne C/C(=C/[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587536668 FI Annotated Anodyne C/C(=C\[C@@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587536669 FI Annotated Anodyne C/C(=C\[C@]1(c2nccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587536670 FI Annotated Anodyne O=C1C[C@@H](c2cnc(-c3ccncn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587536671 FI Annotated Anodyne O=C1C[C@H](c2cnc(-c3ccncn3)s2)Oc2c1ccc1c2CCCC1 ZINC000587536672 FI Annotated Anodyne O=C1C[C@@H](c2csc(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587536703 FI Annotated Anodyne O=C1C[C@H](c2csc(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587536705 FI Annotated Anodyne O=C1C[C@@H](c2cccc3c2OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536798 FI Annotated Anodyne O=C1C[C@H](c2cccc3c2OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536799 FI Annotated Anodyne C[C@]1([C@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536936 FI Annotated Anodyne C[C@@]1([C@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536937 FI Annotated Anodyne C[C@]1([C@@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536938 FI Annotated Anodyne C[C@@]1([C@@H]2COc3ccccc3O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536939 FI Annotated Anodyne O=C(O)C[C@@H]1CCc2occc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536940 FI Annotated Anodyne O=C(O)C[C@H]1CCc2occc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536941 FI Annotated Anodyne O=C(O)C[C@H]1CCc2occc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536942 FI Annotated Anodyne O=C(O)C[C@@H]1CCc2occc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536943 FI Annotated Anodyne O=C1CC(C2CCOCC2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587536990 FI Annotated Anodyne CC1(C)Cc2sc(=N)[nH]c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587537112 FI Annotated Anodyne CC1(C)Cc2sc(=N)[nH]c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587537114 FI Annotated Anodyne C[C@@]1(c2cccc3sc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537283 FI Annotated Anodyne C[C@]1(c2cccc3sc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537284 FI Annotated Anodyne C[C@@]1(c2ccc3[nH]c(=N)sc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537605 FI Annotated Anodyne C[C@]1(c2ccc3[nH]c(=N)sc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537606 FI Annotated Anodyne O=C1C[C@@]2(CCCC[C@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 ZINC000587537641 FI Annotated Anodyne O=C1C[C@]2(CCCC[C@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 ZINC000587537642 FI Annotated Anodyne O=C1C[C@@]2(CCCC[C@@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 ZINC000587537643 FI Annotated Anodyne O=C1C[C@]2(CCCC[C@@H]2N2CCSCC2)Oc2c1ccc1c2CCCC1 ZINC000587537644 FI Annotated Anodyne CCOc1nc2sccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538140 FI Annotated Anodyne CCOc1nc2sccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538141 FI Annotated Anodyne CC1(C)Cc2[nH]c(=N)sc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587538703 FI Annotated Anodyne CC1(C)Cc2[nH]c(=N)sc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587538704 FI Annotated Anodyne Cc1nc2sccn2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538990 FI Annotated Anodyne Cc1nc2sccn2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538991 FI Annotated Anodyne Cn1c(=O)sc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587539314 FI Annotated Anodyne Cn1c(=O)sc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587539315 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Cl ZINC000587540594 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Cl ZINC000587540598 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Cl ZINC000587540600 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Cl ZINC000587540604 FI Annotated Anodyne C[C@]1([C@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540807 FI Annotated Anodyne C[C@]1([C@@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540817 FI Annotated Anodyne C[C@]1([C@@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540818 FI Annotated Anodyne C[C@]1([C@H]2CC2(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540819 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(O)c1 ZINC000587540938 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(O)c1 ZINC000587540939 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(O)c1 ZINC000587540940 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(O)c1 ZINC000587540942 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Cl ZINC000587540991 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Cl ZINC000587540992 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Cl ZINC000587540993 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Cl ZINC000587540994 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1O ZINC000587541521 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1O ZINC000587541523 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1O ZINC000587541525 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1O ZINC000587541527 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCCCl ZINC000587541643 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCCCl ZINC000587541644 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)CCCCl ZINC000587541645 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)CCCCl ZINC000587541646 FI Annotated Reactive Nc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542810 FI Annotated Anodyne Nc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542815 FI Annotated Anodyne Nc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542816 FI Annotated Anodyne Nc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542818 FI Annotated Anodyne C[C@@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543557 FI Annotated Anodyne C[C@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543576 FI Annotated Anodyne C[C@@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543579 FI Annotated Anodyne C[C@]1(C(F)(F)C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543581 FI Annotated Anodyne C[C@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543969 FI Annotated Anodyne C[C@@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543970 FI Annotated Anodyne C[C@@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543971 FI Annotated Anodyne C[C@]1(c2ncccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543972 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Cl ZINC000587544792 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Cl ZINC000587544793 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Cl ZINC000587544794 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Cl ZINC000587544795 FI Annotated Anodyne C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545142 FI Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545143 FI Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545144 FI Annotated Anodyne C[C@]1(C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545145 FI Annotated Anodyne C[C@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545504 FI Annotated Anodyne C[C@@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545505 FI Annotated Anodyne C[C@@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545506 FI Annotated Anodyne C[C@]1(c2cc(Cl)ccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545507 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C(Cl)Cl ZINC000587545555 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C(Cl)Cl ZINC000587545572 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C(Cl)Cl ZINC000587545573 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C(Cl)Cl ZINC000587545574 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccccc1 ZINC000587545728 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccccc1 ZINC000587545733 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccccc1 ZINC000587545735 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccccc1 ZINC000587545736 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccn1 ZINC000587546170 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccn1 ZINC000587546171 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccn1 ZINC000587546172 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccn1 ZINC000587546173 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Cl ZINC000587546987 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Cl ZINC000587546988 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Cl ZINC000587546989 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Cl ZINC000587546990 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CCCl)CCCl ZINC000587547344 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CCCl)CCCl ZINC000587547346 FI Annotated Reactive Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587547442 FI Annotated Anodyne Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587547444 FI Annotated Anodyne Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587547446 FI Annotated Anodyne Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587547447 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCC(F)(F)F ZINC000587547479 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCC(F)(F)F ZINC000587547481 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCC(F)(F)F ZINC000587547483 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCC(F)(F)F ZINC000587547485 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnccc1Cl ZINC000587547659 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnccc1Cl ZINC000587547661 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnccc1Cl ZINC000587547663 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnccc1Cl ZINC000587547665 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1O ZINC000587547872 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1O ZINC000587547874 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1O ZINC000587547877 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1O ZINC000587547880 FI Annotated Anodyne Nc1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548258 FI Annotated Anodyne Nc1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548259 FI Annotated Anodyne Nc1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548260 FI Annotated Anodyne Nc1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548261 FI Annotated Anodyne Nc1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549225 FI Annotated Anodyne Nc1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549226 FI Annotated Anodyne Nc1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549227 FI Annotated Anodyne Nc1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549228 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1Cl ZINC000587549253 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1Cl ZINC000587549254 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1Cl ZINC000587549255 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1Cl ZINC000587549256 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)c1 ZINC000587549269 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)c1 ZINC000587549271 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)c1 ZINC000587549273 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)c1 ZINC000587549275 FI Annotated Anodyne C[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549501 FI Annotated Anodyne C[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549502 FI Annotated Anodyne C[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549503 FI Annotated Anodyne C[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549506 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Cl)c1 ZINC000587550483 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Cl)c1 ZINC000587550484 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Cl)c1 ZINC000587550485 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Cl)c1 ZINC000587550486 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1O ZINC000587550805 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1O ZINC000587550806 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1O ZINC000587550807 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1O ZINC000587550808 FI Annotated Anodyne C[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551068 FI Annotated Anodyne C[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551069 FI Annotated Anodyne C[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551070 FI Annotated Anodyne C[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551071 FI Annotated Anodyne C[C@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551072 FI Annotated Anodyne C[C@@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551073 FI Annotated Anodyne C[C@@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551074 FI Annotated Anodyne C[C@]1(c2ccc(Cl)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551075 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H](C1)[C@@H]2Cl ZINC000587551236 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H](C1)[C@@H]2Cl ZINC000587551237 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H](C1)[C@H]2Cl ZINC000587551238 FI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H](C1)[C@H]2Cl ZINC000587551239 FI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1 ZINC000587551421 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1 ZINC000587551422 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1 ZINC000587551423 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1 ZINC000587551424 FI Annotated Anodyne C[C@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551565 FI Annotated Anodyne C[C@@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551566 FI Annotated Anodyne C[C@@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551567 FI Annotated Anodyne C[C@]1(c2ccnc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551568 FI Annotated Anodyne Cc1ccc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551665 FI Annotated Anodyne Cc1ccc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551666 FI Annotated Anodyne Cc1ccc(Cl)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551667 FI Annotated Anodyne Cc1ccc(Cl)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551668 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1 ZINC000587551701 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1 ZINC000587551702 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1 ZINC000587551703 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1 ZINC000587551704 FI Annotated Anodyne Cc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551731 FI Annotated Anodyne Cc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551732 FI Annotated Anodyne Cc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551733 FI Annotated Anodyne Cc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551734 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1Cl ZINC000587551747 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1Cl ZINC000587551748 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1Cl ZINC000587551749 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1Cl ZINC000587551750 FI Annotated Anodyne Cc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551813 FI Annotated Anodyne Cc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551814 FI Annotated Anodyne Cc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551815 FI Annotated Anodyne Cc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551816 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C(F)F ZINC000587552409 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)n1 ZINC000587552418 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)n1 ZINC000587552419 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)n1 ZINC000587552420 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)n1 ZINC000587552421 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C(F)F ZINC000587552431 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C(F)F ZINC000587552432 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C(F)F ZINC000587552434 FI Annotated Anodyne Cc1cnc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587552482 FI Annotated Anodyne Cc1cnc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587552484 FI Annotated Anodyne Cc1cnc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587552485 FI Annotated Anodyne Cc1cnc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587552487 FI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552488 FI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552489 FI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552491 FI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552492 FI Annotated Anodyne Cc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553229 FI Annotated Anodyne Cc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553230 FI Annotated Anodyne Cc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553231 FI Annotated Anodyne Cc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553232 FI Annotated Anodyne COc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553359 FI Annotated Anodyne COc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553365 FI Annotated Anodyne COc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553366 FI Annotated Anodyne COc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553367 FI Annotated Anodyne C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587553484 FI Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587553490 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Cl ZINC000587553721 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Cl ZINC000587553722 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Cl ZINC000587553723 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Cl ZINC000587553724 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587553807 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587553810 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587553812 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587553817 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl ZINC000587553858 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl ZINC000587553860 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl ZINC000587553862 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl ZINC000587553863 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1O ZINC000587554366 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1O ZINC000587554370 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1O ZINC000587554373 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1O ZINC000587554376 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)n1 ZINC000587554403 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)n1 ZINC000587554405 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)n1 ZINC000587554407 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)n1 ZINC000587554409 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1F ZINC000587554420 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1F ZINC000587554429 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1F ZINC000587554430 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1F ZINC000587554431 FI Annotated Anodyne N#CC[C@@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554927 FI Annotated Mild N#CC[C@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554931 FI Annotated Mild N#CC[C@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554933 FI Annotated Mild N#CC[C@@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554936 FI Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587555159 FI Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587555162 FI Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587555163 FI Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587555164 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cn1 ZINC000587555176 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cn1 ZINC000587555178 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cn1 ZINC000587555179 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cn1 ZINC000587555181 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1O ZINC000587555192 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1O ZINC000587555193 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1O ZINC000587555194 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1O ZINC000587555196 FI Annotated Anodyne C[C@@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555203 FI Annotated Anodyne C[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555205 FI Annotated Anodyne C[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555206 FI Annotated Anodyne C[C@@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555207 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CF)c1ccccc1 ZINC000587555663 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CF)c1ccccc1 ZINC000587555665 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CF)c1ccccc1 ZINC000587555666 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CF)c1ccccc1 ZINC000587555669 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(O)c1F ZINC000587555702 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(O)c1F ZINC000587555705 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(O)c1F ZINC000587555708 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(O)c1F ZINC000587555710 FI Annotated Anodyne C[C@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555880 FI Annotated Anodyne C[C@@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555881 FI Annotated Anodyne C[C@@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555882 FI Annotated Anodyne C[C@]1(c2cc(O)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555883 FI Annotated Anodyne COc1c(F)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555888 FI Annotated Anodyne COc1c(F)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555889 FI Annotated Anodyne COc1c(F)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555890 FI Annotated Anodyne COc1c(F)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555898 FI Annotated Anodyne N#C[C@@H]1CC(F)(F)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587556129 FI Annotated Mild N#C[C@@H]1CC(F)(F)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587556130 FI Annotated Mild N#C[C@@H]1CC(F)(F)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587556131 FI Annotated Mild N#C[C@@H]1CC(F)(F)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587556132 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(C(F)F)c1 ZINC000587556154 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(C(F)F)c1 ZINC000587556171 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(C(F)F)c1 ZINC000587556172 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(C(F)F)c1 ZINC000587556173 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1 ZINC000587556635 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1 ZINC000587556636 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1 ZINC000587556637 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1 ZINC000587556638 FI Annotated Anodyne N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587556654 FI Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587556655 FI Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587556656 FI Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587556658 FI Annotated Mild CCn1c2ccccc2c2cc(-c3ccc4c(O)nc(O)nc4n3)ccc21 ZINC000587556704 FI Annotated Anodyne C[C@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556891 FI Annotated Anodyne C[C@@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556893 FI Annotated Anodyne C[C@@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556895 FI Annotated Anodyne C[C@]1(c2ccc(O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556897 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(O)cc1F ZINC000587557162 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(O)cc1F ZINC000587557163 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(O)cc1F ZINC000587557164 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(O)cc1F ZINC000587557166 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(O)c1F ZINC000587557339 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(O)c1F ZINC000587557340 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(O)c1F ZINC000587557341 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(O)c1F ZINC000587557342 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)cc1F ZINC000587557414 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)cc1F ZINC000587557415 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)cc1F ZINC000587557416 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)cc1F ZINC000587557417 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1O ZINC000587557855 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1O ZINC000587557856 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1O ZINC000587557857 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1O ZINC000587557858 FI Annotated Anodyne N#Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587557898 FI Annotated Mild N#Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587557899 FI Annotated Mild N#Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587557900 FI Annotated Mild N#Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587557901 FI Annotated Mild C#Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558393 FI Annotated Mild C#Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558396 FI Annotated Mild C#Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558397 FI Annotated Mild C#Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558399 FI Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587558471 FI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587558472 FI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587558473 FI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587558474 FI Annotated Anodyne COc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558481 FI Annotated Anodyne COc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558482 FI Annotated Anodyne COc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558483 FI Annotated Anodyne COc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558484 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1F ZINC000587558690 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1F ZINC000587558691 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1F ZINC000587558692 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1F ZINC000587558693 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(F)c(F)c1 ZINC000587558789 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(F)c(F)c1 ZINC000587558791 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(F)c(F)c1 ZINC000587558792 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(F)c(F)c1 ZINC000587558793 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccnc1Cl ZINC000587559038 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccnc1Cl ZINC000587559040 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccnc1Cl ZINC000587559041 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccnc1Cl ZINC000587559042 FI Annotated Anodyne C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587559077 FI Annotated Mild C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587559078 FI Annotated Mild C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587559079 FI Annotated Mild C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587559080 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(F)c1F ZINC000587559370 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(F)c1F ZINC000587559371 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(F)c1F ZINC000587559372 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(F)c1F ZINC000587559373 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(F)c1F ZINC000587559438 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(F)c1F ZINC000587559440 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(F)c1F ZINC000587559442 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(F)c1F ZINC000587559444 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1O ZINC000587559604 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1O ZINC000587559605 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1O ZINC000587559606 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1O ZINC000587559607 FI Annotated Anodyne N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587559816 FI Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587559817 FI Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587559818 FI Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587559819 FI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)c(F)c1 ZINC000587559840 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)c(F)c1 ZINC000587559841 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)c(F)c1 ZINC000587559842 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)c(F)c1 ZINC000587559843 FI Annotated Anodyne CC(C)(C)c1cc(-c2ccc3c(O)nc(O)nc3n2)cc(C(C)(C)C)c1O ZINC000587561053 FI Annotated Anodyne CC1(C)c2ccccc2-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc21 ZINC000587562283 FI Annotated Anodyne C#CCOc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000587562979 FI Annotated Mild C#CCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587563084 FI Annotated Mild COc1cc(C)ccc1OCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587563211 FI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587563388 FI Annotated Mild COc1cc(C)ccc1OCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587563466 FI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4c(c3)Nc3ccccc3S4)nc2n1 ZINC000587563523 FI Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563819 FI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587564203 FI Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587564209 FI Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587564217 FI Annotated Mild COc1cc(C)ccc1OCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587564265 FI Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587564330 FI Annotated Anodyne Cc1cc(C)cc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587564370 FI Annotated Anodyne Cc1cccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C ZINC000587564449 FI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587564481 FI Annotated Anodyne Cc1cccc(OCc2nc3cc(C#N)cc(Br)c3[nH]2)c1C ZINC000587564521 FI Annotated Mild Cc1cccc(OCc2nc3c(F)cnc(Br)c3[nH]2)c1C ZINC000587564686 FI Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587564734 FI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587564750 FI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Cl)cc4)s3)nc2n1 ZINC000587564870 FI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4Cl)s3)nc2n1 ZINC000587564900 FI Annotated Anodyne Cc1cc(C)cc(OCc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587565130 FI Annotated Anodyne Cc1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587565315 FI Annotated Anodyne Cc1ccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587565358 FI Annotated Clean CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587565368 FI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587565441 FI Annotated Mild CCC(C)(C)c1ccc(OCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587565449 FI Annotated Anodyne Cc1cc2[nH]c(COc3cccc(OCC(C)C)c3)nc2cc1[N+](=O)[O-] ZINC000587565452 FI Annotated Bother CCC(C)(C)c1ccc(OCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000587565547 FI Annotated Anodyne COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1OC ZINC000587565594 FI Annotated Anodyne Cc1ccc(OCc2nc3cccc(I)c3[nH]2)cc1 ZINC000587565624 FI Annotated Anodyne Cc1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587565706 FI Annotated Anodyne Cc1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587565710 FI Annotated Bother Cc1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587565714 FI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000587565746 FI Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CCOCc3ccccc3)[nH]c2cn1 ZINC000587565754 FI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000587565862 FI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587565897 FI Annotated Anodyne Cc1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587565903 FI Annotated Bother CCC(C)(C)c1ccc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000587565923 FI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000587565950 FI Annotated Anodyne COc1cc(OC)c2[nH]c(COc3cccc(OCC(C)C)c3)nc2c1 ZINC000587566004 FI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587566006 FI Annotated Bother Clc1ncc(Br)c2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566046 FI Annotated Anodyne Fc1c(Br)cc2nc(CCOCc3ccccc3)[nH]c2c1F ZINC000587566052 FI Annotated Anodyne Clc1c(Br)cnc2[nH]c(CCOCc3ccccc3)nc12 ZINC000587566093 FI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587566105 FI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587566113 FI Annotated Anodyne Cc1c(Br)cc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1C ZINC000587566264 FI Annotated Anodyne Cc1cc(Br)cc2nc(CCOc3ccc(C=O)cc3)[nH]c12 ZINC000587566272 FI Annotated Anodyne c1ccc(COCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587566318 FI Annotated Bother O=Cc1ccc(OCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587566332 FI Annotated Bother O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587566347 FI Annotated Anodyne Cc1c(Br)ccc2nc(CCOc3ccc(C=O)cc3)[nH]c12 ZINC000587566367 FI Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)cc1 ZINC000587566412 FI Annotated Clean Nc1ccc(-c2ccc3nc(CCOCc4ccccc4)[nH]c3c2)cc1N ZINC000587566427 FI Annotated Anodyne Cc1cc(Br)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 ZINC000587566477 FI Annotated Anodyne Cc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000587566501 FI Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587566527 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccnc1F ZINC000587566626 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccnc1F ZINC000587566627 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccnc1F ZINC000587566628 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccnc1F ZINC000587566630 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(F)c12 ZINC000587566729 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(F)c12 ZINC000587566737 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(F)c12 ZINC000587566740 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(F)c12 ZINC000587566745 FI Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587566803 FI Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587566805 FI Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587566807 FI Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587566809 FI Annotated Anodyne C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566924 FI Annotated Anodyne C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566925 FI Annotated Anodyne C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566926 FI Annotated Anodyne C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566927 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)c(F)c1 ZINC000587566940 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)c(F)c1 ZINC000587566941 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)c(F)c1 ZINC000587566942 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)c(F)c1 ZINC000587566943 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1F ZINC000587566954 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1F ZINC000587566955 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1F ZINC000587566956 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1F ZINC000587566957 FI Annotated Anodyne CCC(C)(C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567065 FI Annotated Mild CCC(C)(C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567066 FI Annotated Mild CCC(C)(C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567067 FI Annotated Mild CCC(C)(C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567068 FI Annotated Mild C[C@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567162 FI Annotated Anodyne C[C@@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567163 FI Annotated Anodyne C[C@@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567164 FI Annotated Anodyne C[C@]1(c2ccc(O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567165 FI Annotated Anodyne CCCOc1cccc(Cc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587567180 FI Annotated Anodyne N#C[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567197 FI Annotated Mild N#C[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567198 FI Annotated Mild N#C[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567199 FI Annotated Mild N#C[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567200 FI Annotated Mild C[C@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567355 FI Annotated Anodyne C[C@@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567356 FI Annotated Anodyne C[C@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567357 FI Annotated Anodyne C[C@@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567358 FI Annotated Anodyne Cc1cccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567561 FI Annotated Mild Cc1cccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567562 FI Annotated Mild Cc1cccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567563 FI Annotated Mild Cc1cccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567564 FI Annotated Mild Cc1ccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587567581 FI Annotated Mild Cc1ccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587567582 FI Annotated Mild Cc1ccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587567583 FI Annotated Mild Cc1ccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587567584 FI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1 ZINC000587567727 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1 ZINC000587567728 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1 ZINC000587567729 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1 ZINC000587567730 FI Annotated Anodyne C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567797 FI Annotated Anodyne C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567799 FI Annotated Anodyne C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567802 FI Annotated Anodyne C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567804 FI Annotated Anodyne O=Cc1cc(F)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567858 FI Annotated Anodyne O=Cc1cc(F)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567862 FI Annotated Anodyne O=Cc1cc(F)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567864 FI Annotated Anodyne O=Cc1cc(F)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567866 FI Annotated Anodyne COc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568113 FI Annotated Anodyne COc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568114 FI Annotated Anodyne COc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568115 FI Annotated Anodyne COc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568116 FI Annotated Anodyne CC(C)(C)C[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568248 FI Annotated Mild CC(C)(C)C[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568249 FI Annotated Mild CC(C)(C)C[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568250 FI Annotated Mild CC(C)(C)C[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568251 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1F ZINC000587568447 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1F ZINC000587568448 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1F ZINC000587568449 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1F ZINC000587568450 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1F ZINC000587568858 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1F ZINC000587568859 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1F ZINC000587568860 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1F ZINC000587568861 FI Annotated Anodyne CCCOc1cccc(Cc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587568872 FI Annotated Anodyne N#Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568921 FI Annotated Mild N#Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568922 FI Annotated Mild N#Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568923 FI Annotated Mild N#Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568924 FI Annotated Mild CCC(CC)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569457 FI Annotated Mild CCC(CC)[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569458 FI Annotated Mild CCC(CC)[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569459 FI Annotated Mild CCC(CC)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569460 FI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1F ZINC000587569605 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1F ZINC000587569608 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1F ZINC000587569611 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1F ZINC000587569614 FI Annotated Anodyne CCN(CC)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569615 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1F ZINC000587569617 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1F ZINC000587569618 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1F ZINC000587569620 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1F ZINC000587569622 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1F ZINC000587569624 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1F ZINC000587569629 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Cl)c1F ZINC000587569631 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Cl)c1F ZINC000587569633 FI Annotated Anodyne CCN(CC)CCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569635 FI Annotated Anodyne CCN(CC)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569636 FI Annotated Anodyne CCN(CC)CCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569637 FI Annotated Anodyne C[C@]1(c2ccccc2C#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569786 FI Annotated Mild C[C@@]1(c2ccccc2C#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569791 FI Annotated Mild C[C@]1(c2ccccc2C#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569793 FI Annotated Mild C[C@@]1(c2ccccc2C#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569794 FI Annotated Mild Cc1ccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587569837 FI Annotated Mild Cc1ccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587569838 FI Annotated Mild Cc1ccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587569839 FI Annotated Mild Cc1ccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587569840 FI Annotated Mild CCC[C@H](C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569861 FI Annotated Mild CCC[C@H](C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569862 FI Annotated Mild CCC[C@H](C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569863 FI Annotated Mild CCC[C@H](C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569864 FI Annotated Mild C#Cc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569897 FI Annotated Mild C#Cc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569898 FI Annotated Mild C#Cc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569899 FI Annotated Mild C#Cc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569900 FI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1F ZINC000587569920 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1F ZINC000587569921 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1F ZINC000587569922 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1F ZINC000587569923 FI Annotated Anodyne CN(C)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570083 FI Annotated Anodyne CN(C)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570103 FI Annotated Anodyne CN(C)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570105 FI Annotated Anodyne CN(C)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570107 FI Annotated Anodyne O=NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570150 FI Annotated Anodyne O=NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570152 FI Annotated Anodyne O=NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570154 FI Annotated Anodyne O=NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570156 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)cc1F ZINC000587570277 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)cc1F ZINC000587570278 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)cc1F ZINC000587570280 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)cc1F ZINC000587570282 FI Annotated Anodyne N#Cc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570385 FI Annotated Mild N#Cc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570387 FI Annotated Mild N#Cc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570390 FI Annotated Mild N#Cc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570392 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ncc1Cl ZINC000587570657 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ncc1Cl ZINC000587570658 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ncc1Cl ZINC000587570659 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ncc1Cl ZINC000587570660 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587570669 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587570671 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587570672 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587570674 FI Annotated Anodyne COc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570679 FI Annotated Anodyne COc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570681 FI Annotated Anodyne COc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570683 FI Annotated Anodyne COc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570685 FI Annotated Anodyne Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587570687 FI Annotated Anodyne Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587570690 FI Annotated Anodyne Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587570692 FI Annotated Anodyne Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587570694 FI Annotated Anodyne C[C@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570743 FI Annotated Anodyne C[C@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570744 FI Annotated Anodyne C[C@@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570745 FI Annotated Anodyne C[C@@]1(c2cccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570746 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(F)cc1 ZINC000587570950 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(F)cc1 ZINC000587570952 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(F)cc1 ZINC000587570954 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(F)cc1 ZINC000587570956 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1F ZINC000587571228 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1F ZINC000587571231 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1F ZINC000587571232 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1F ZINC000587571233 FI Annotated Anodyne COc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587571343 FI Annotated Anodyne COc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587571344 FI Annotated Anodyne COc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587571345 FI Annotated Anodyne COc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587571346 FI Annotated Anodyne C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571423 FI Annotated Anodyne C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571424 FI Annotated Anodyne C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571425 FI Annotated Anodyne C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571426 FI Annotated Anodyne C[C@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571435 FI Annotated Reactive C[C@@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571436 FI Annotated Reactive C[C@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571437 FI Annotated Reactive C[C@@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571438 FI Annotated Reactive CC[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571552 FI Annotated Anodyne CC[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571560 FI Annotated Anodyne CC[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571561 FI Annotated Anodyne CC[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571564 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cccc12 ZINC000587571626 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cccc12 ZINC000587571627 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cccc12 ZINC000587571628 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cccc12 ZINC000587571629 FI Annotated Anodyne CCN(CC)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571813 FI Annotated Anodyne CCN(CC)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571814 FI Annotated Anodyne CCN(CC)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571815 FI Annotated Anodyne CCN(CC)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571816 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1F ZINC000587571973 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1F ZINC000587571974 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1F ZINC000587571975 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1F ZINC000587571976 FI Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572093 FI Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572094 FI Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572095 FI Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572096 FI Annotated Anodyne Cc1ccoc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572192 FI Annotated Mild Cc1ccoc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572193 FI Annotated Mild Cc1ccoc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572194 FI Annotated Mild Cc1ccoc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572196 FI Annotated Mild C[C@H](C#N)[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572241 FI Annotated Mild C[C@H](C#N)[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572246 FI Annotated Mild C[C@H](C#N)[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572247 FI Annotated Mild C[C@H](C#N)[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572248 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(F)cc12 ZINC000587572271 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(F)cc12 ZINC000587572272 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(F)cc12 ZINC000587572273 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(F)cc12 ZINC000587572274 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1 ZINC000587572371 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1 ZINC000587572372 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(F)cc1 ZINC000587572373 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(F)cc1 ZINC000587572374 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cnc1Cl ZINC000587572462 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cnc1Cl ZINC000587572463 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cnc1Cl ZINC000587572465 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cnc1Cl ZINC000587572467 FI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587572526 FI Annotated Mild Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587572530 FI Annotated Mild Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587572531 FI Annotated Mild Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587572533 FI Annotated Mild O=Cc1sc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572539 FI Annotated Anodyne O=Cc1sc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572541 FI Annotated Anodyne O=Cc1sc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572543 FI Annotated Anodyne O=Cc1sc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572545 FI Annotated Anodyne N#CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572571 FI Annotated Mild N#CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572572 FI Annotated Mild N#CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572573 FI Annotated Mild N#CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572574 FI Annotated Mild Cc1ccccc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572807 FI Annotated Mild Cc1ccccc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572809 FI Annotated Mild Cc1ccccc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572810 FI Annotated Mild Cc1ccccc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572812 FI Annotated Mild Cc1ccc([C@H](C#N)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573124 FI Annotated Mild Cc1ccc([C@H](C#N)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573129 FI Annotated Mild Cc1ccc([C@H](C#N)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573130 FI Annotated Mild Cc1ccc([C@H](C#N)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573131 FI Annotated Mild N#Cc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573202 FI Annotated Mild N#Cc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573211 FI Annotated Mild N#Cc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573214 FI Annotated Mild N#Cc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573215 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cc1Cl ZINC000587573252 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cc1Cl ZINC000587573253 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cc1Cl ZINC000587573254 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cc1Cl ZINC000587573255 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)ccc12 ZINC000587573511 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)ccc12 ZINC000587573512 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)ccc12 ZINC000587573513 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)ccc12 ZINC000587573514 FI Annotated Anodyne N#CCC[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573515 FI Annotated Mild N#CCC[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573516 FI Annotated Mild N#CCC[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573517 FI Annotated Mild N#CCC[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573518 FI Annotated Mild C[C@]1([C@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573539 FI Annotated Mild C[C@]1([C@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573540 FI Annotated Mild C[C@]1([C@@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573541 FI Annotated Mild C[C@]1([C@@H](C#N)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573542 FI Annotated Mild Cc1cc(C#N)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573671 FI Annotated Mild Cc1cc(C#N)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573672 FI Annotated Mild Cc1cc(C#N)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573673 FI Annotated Mild Cc1cc(C#N)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573674 FI Annotated Mild C[C@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573695 FI Annotated Anodyne C[C@@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573696 FI Annotated Anodyne C[C@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573697 FI Annotated Anodyne C[C@@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573698 FI Annotated Anodyne C[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573715 FI Annotated Anodyne C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573716 FI Annotated Anodyne C[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573717 FI Annotated Anodyne C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573718 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C#N ZINC000587573868 FI Annotated Mild Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C#N ZINC000587573869 FI Annotated Mild Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C#N ZINC000587573871 FI Annotated Mild Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C#N ZINC000587573873 FI Annotated Mild CN(C)/C=C\[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573902 FI Annotated Anodyne CN(C)/C=C/[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573903 FI Annotated Anodyne CN(C)/C=C/[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573904 FI Annotated Anodyne CN(C)/C=C/[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573905 FI Annotated Anodyne CN(C)/C=C/[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573906 FI Annotated Anodyne CN(C)/C=C\[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573907 FI Annotated Anodyne CC1(C)CCC[C@H](C#N)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587573977 FI Annotated Mild CC1(C)CCC[C@H](C#N)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587573978 FI Annotated Mild CC1(C)CCC[C@H](C#N)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587574179 FI Annotated Mild CC1(C)CCC[C@H](C#N)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587574180 FI Annotated Mild N#Cc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574511 FI Annotated Mild N#Cc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574514 FI Annotated Mild N#Cc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574516 FI Annotated Mild N#Cc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574519 FI Annotated Mild C[C@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574635 FI Annotated Reactive C[C@@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574636 FI Annotated Reactive Nc1cccc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574641 FI Annotated Anodyne Nc1cccc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574642 FI Annotated Anodyne Nc1cccc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574643 FI Annotated Anodyne Nc1cccc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574644 FI Annotated Anodyne C[C@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574737 FI Annotated Reactive C[C@@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574738 FI Annotated Reactive C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574804 FI Annotated Mild C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574806 FI Annotated Mild C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574807 FI Annotated Mild C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574809 FI Annotated Mild N#Cc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574839 FI Annotated Mild N#Cc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574841 FI Annotated Mild N#Cc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574842 FI Annotated Mild N#Cc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574844 FI Annotated Mild N#Cc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574896 FI Annotated Mild N#Cc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574897 FI Annotated Mild N#Cc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574898 FI Annotated Mild N#Cc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574900 FI Annotated Mild Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C)c1C ZINC000587575572 FI Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(C)c1C ZINC000587575573 FI Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C)c1C ZINC000587575574 FI Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(C)c1C ZINC000587575575 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000587575730 FI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000587575731 FI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000587575732 FI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000587575733 FI Annotated Bother Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575782 FI Annotated Anodyne Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575783 FI Annotated Anodyne Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575784 FI Annotated Anodyne Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575785 FI Annotated Anodyne Cc1cc(N)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576062 FI Annotated Anodyne Cc1cc(N)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576063 FI Annotated Anodyne Cc1cc(N)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576064 FI Annotated Anodyne Cc1cc(N)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576065 FI Annotated Anodyne CNc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576240 FI Annotated Anodyne CNc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576247 FI Annotated Anodyne CNc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576249 FI Annotated Anodyne CNc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576250 FI Annotated Anodyne CCCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576534 FI Annotated Anodyne CCCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576536 FI Annotated Anodyne CCCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576538 FI Annotated Anodyne CCCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576541 FI Annotated Anodyne CC/C(C)=C(\N)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577211 FI Annotated Anodyne CC/C(C)=C(/N)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577212 FI Annotated Anodyne CC/C(C)=C(\N)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577214 FI Annotated Anodyne CC/C(C)=C(/N)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577215 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577615 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577621 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577623 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577625 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC#N ZINC000587578060 FI Annotated Mild Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC#N ZINC000587578061 FI Annotated Mild Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC#N ZINC000587578062 FI Annotated Mild Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC#N ZINC000587578063 FI Annotated Mild Cc1cccc(N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578086 FI Annotated Anodyne Cc1cccc(N)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578087 FI Annotated Anodyne Cc1cccc(N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578089 FI Annotated Anodyne Cc1cccc(N)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578090 FI Annotated Anodyne Nc1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578222 FI Annotated Anodyne Nc1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578223 FI Annotated Anodyne Nc1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578224 FI Annotated Anodyne Nc1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578225 FI Annotated Anodyne CCCn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587578667 FI Annotated Anodyne CCCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587578668 FI Annotated Anodyne CCCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587578669 FI Annotated Anodyne CCCn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587578670 FI Annotated Anodyne CCCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578821 FI Annotated Anodyne CCCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578823 FI Annotated Anodyne CCCCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578825 FI Annotated Anodyne CCCCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578827 FI Annotated Anodyne CC(C)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587579323 FI Annotated Anodyne CC(C)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587579325 FI Annotated Anodyne CC(C)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587579327 FI Annotated Anodyne CC(C)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587579328 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C2 ZINC000587579991 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C2 ZINC000587580000 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C2 ZINC000587580004 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C2 ZINC000587580007 FI Annotated Anodyne CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580632 FI Annotated Anodyne CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580633 FI Annotated Anodyne CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580634 FI Annotated Anodyne CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580635 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580697 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580699 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580700 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580701 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580860 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580862 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580865 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580868 FI Annotated Anodyne CN1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581059 FI Annotated Anodyne CN1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581064 FI Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581066 FI Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581067 FI Annotated Anodyne CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581186 FI Annotated Anodyne CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581187 FI Annotated Anodyne CC(C)(C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581188 FI Annotated Anodyne CC(C)(C)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581189 FI Annotated Anodyne CC[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581285 FI Annotated Anodyne CC[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581290 FI Annotated Anodyne CC[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581291 FI Annotated Anodyne CC[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581292 FI Annotated Anodyne CNc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581329 FI Annotated Anodyne CNc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581330 FI Annotated Anodyne CNc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581331 FI Annotated Anodyne CNc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581332 FI Annotated Anodyne CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587581486 FI Annotated Anodyne CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587581487 FI Annotated Anodyne CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587581488 FI Annotated Anodyne CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587581489 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N ZINC000587581570 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N ZINC000587581573 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N ZINC000587581575 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N ZINC000587581578 FI Annotated Anodyne C[C@@]1(/C=N/Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581915 FI Annotated Mild C[C@]1(/C=N/Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581919 FI Annotated Mild C[C@]1(/C=N/Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581921 FI Annotated Mild C[C@@]1(/C=N/Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581922 FI Annotated Mild Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1 ZINC000587581995 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1 ZINC000587581997 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1 ZINC000587581999 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1 ZINC000587582001 FI Annotated Anodyne CCCn1nc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582034 FI Annotated Anodyne CCCn1nc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582035 FI Annotated Anodyne CCCn1nc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582036 FI Annotated Anodyne CCCn1nc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582037 FI Annotated Anodyne CCCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587582078 FI Annotated Anodyne CCCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587582079 FI Annotated Anodyne CCCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587582080 FI Annotated Anodyne CCCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587582081 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C(C)C ZINC000587582086 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C(C)C ZINC000587582087 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C(C)C ZINC000587582088 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C(C)C ZINC000587582089 FI Annotated Anodyne CCCn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587582784 FI Annotated Anodyne CCCn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587582785 FI Annotated Anodyne CCCn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587582786 FI Annotated Anodyne CCCn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587582787 FI Annotated Anodyne CC[C@H](C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587583408 FI Annotated Anodyne CC[C@H](C)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587583409 FI Annotated Anodyne CC[C@H](C)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587583410 FI Annotated Anodyne CC[C@H](C)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587583411 FI Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C(C)C ZINC000587583674 FI Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C(C)C ZINC000587583675 FI Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C(C)C ZINC000587583676 FI Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C(C)C ZINC000587583677 FI Annotated Anodyne C[C@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584511 FI Annotated Anodyne C[C@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584512 FI Annotated Anodyne C[C@@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584513 FI Annotated Anodyne C[C@@]1(c2coc(C3CC3)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584514 FI Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2c1 ZINC000587584893 FI Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2c1 ZINC000587584894 FI Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2c1 ZINC000587584895 FI Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2c1 ZINC000587584896 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1cccnc1 ZINC000587584897 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1cccnc1 ZINC000587584898 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1cccnc1 ZINC000587584899 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1cccnc1 ZINC000587584900 FI Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585108 FI Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585110 FI Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585112 FI Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 ZINC000587585114 FI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585161 FI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585165 FI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585169 FI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585172 FI Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587585539 FI Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587585540 FI Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587585541 FI Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587585542 FI Annotated Anodyne CCC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585565 FI Annotated Anodyne CCC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585566 FI Annotated Anodyne CCC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585567 FI Annotated Anodyne CCC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585568 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585597 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585598 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585599 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585600 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCc1ccccn1 ZINC000587585613 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCc1ccccn1 ZINC000587585614 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCc1ccccn1 ZINC000587585615 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCc1ccccn1 ZINC000587585616 FI Annotated Anodyne Cc1ccn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 ZINC000587585617 FI Annotated Anodyne Cc1ccn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 ZINC000587585618 FI Annotated Anodyne Cc1ccn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 ZINC000587585619 FI Annotated Anodyne Cc1ccn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 ZINC000587585620 FI Annotated Anodyne Cc1ccncc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585731 FI Annotated Anodyne Cc1ccncc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585732 FI Annotated Anodyne Cc1ccncc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585733 FI Annotated Anodyne Cc1ccncc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585734 FI Annotated Anodyne C[C@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585739 FI Annotated Anodyne C[C@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585740 FI Annotated Anodyne C[C@@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585741 FI Annotated Anodyne C[C@@]1(c2nc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585742 FI Annotated Anodyne CCc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585759 FI Annotated Anodyne CCc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585760 FI Annotated Anodyne CCc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585761 FI Annotated Anodyne CCc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585762 FI Annotated Anodyne Cc1cccn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587585773 FI Annotated Anodyne Cc1cccn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587585774 FI Annotated Anodyne Cc1cccn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587585775 FI Annotated Anodyne Cc1cccn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587585776 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ocnc2c1 ZINC000587585861 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ocnc2c1 ZINC000587585862 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ocnc2c1 ZINC000587585863 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ocnc2c1 ZINC000587585864 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ncccc12 ZINC000587585927 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ncccc12 ZINC000587585928 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ncccc12 ZINC000587585929 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ncccc12 ZINC000587585930 FI Annotated Anodyne Cc1ccc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587585959 FI Annotated Anodyne Cc1ccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 ZINC000587585960 FI Annotated Anodyne Cc1ccc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587585961 FI Annotated Anodyne Cc1ccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 ZINC000587585962 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(O)cc12 ZINC000587586094 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(O)cc12 ZINC000587586095 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(O)cc12 ZINC000587586097 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(O)cc12 ZINC000587586098 FI Annotated Anodyne CC[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586123 FI Annotated Anodyne CC[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586126 FI Annotated Anodyne CC[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586128 FI Annotated Anodyne CC[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586131 FI Annotated Anodyne Cc1cccc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12 ZINC000587586211 FI Annotated Anodyne Cc1cccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12 ZINC000587586212 FI Annotated Anodyne Cc1cccc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12 ZINC000587586213 FI Annotated Anodyne Cc1cccc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12 ZINC000587586215 FI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587586372 FI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587586373 FI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587586375 FI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587586380 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([nH]1)CCCC2 ZINC000587586403 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([nH]1)CCCC2 ZINC000587586404 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([nH]1)CCCC2 ZINC000587586405 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([nH]1)CCCC2 ZINC000587586406 FI Annotated Anodyne CC(C)(C)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586413 FI Annotated Anodyne CC(C)(C)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586414 FI Annotated Anodyne CC(C)(C)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586415 FI Annotated Anodyne CC(C)(C)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586416 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nccnc2c1 ZINC000587586592 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nccnc2c1 ZINC000587586593 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nccnc2c1 ZINC000587586595 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nccnc2c1 ZINC000587586597 FI Annotated Anodyne Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587586640 FI Annotated Anodyne Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587586642 FI Annotated Anodyne Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587586644 FI Annotated Anodyne Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587586646 FI Annotated Anodyne C[C@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586685 FI Annotated Anodyne C[C@@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586686 FI Annotated Anodyne C[C@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586687 FI Annotated Anodyne C[C@@]1(c2ccc3nc[nH]c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586688 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCc1c[nH]cc12 ZINC000587586689 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCc1c[nH]cc12 ZINC000587586690 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCc1c[nH]cc12 ZINC000587586691 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCc1c[nH]cc12 ZINC000587586692 FI Annotated Anodyne CC(C)(C)c1[nH]cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586721 FI Annotated Anodyne CC(C)(C)c1[nH]cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586722 FI Annotated Anodyne CC(C)(C)c1[nH]cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586723 FI Annotated Anodyne CC(C)(C)c1[nH]cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586724 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(O)c12 ZINC000587586725 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(O)c12 ZINC000587586726 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(O)c12 ZINC000587586728 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(O)c12 ZINC000587586730 FI Annotated Anodyne Cc1cccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587586881 FI Annotated Anodyne Cc1cccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587586882 FI Annotated Anodyne Cc1cccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587586883 FI Annotated Anodyne Cc1cccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587586884 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cccnc2c1 ZINC000587586943 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cccnc2c1 ZINC000587586944 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2cccnc2c1 ZINC000587586945 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2cccnc2c1 ZINC000587586946 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CC1 ZINC000587586947 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CC1 ZINC000587586948 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CC1 ZINC000587586949 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CC1 ZINC000587586950 FI Annotated Anodyne CCC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586963 FI Annotated Anodyne CCC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586964 FI Annotated Anodyne CCC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586965 FI Annotated Anodyne CCC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586966 FI Annotated Anodyne C[C@@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586983 FI Annotated Anodyne C[C@@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586984 FI Annotated Anodyne C[C@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587069 FI Annotated Anodyne C[C@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587071 FI Annotated Anodyne C[C@@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587073 FI Annotated Anodyne C[C@@]1(c2nc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587074 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587159 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587161 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587163 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587165 FI Annotated Anodyne C[C@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587199 FI Annotated Anodyne C[C@]1(c2cccc3ncoc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587200 FI Annotated Anodyne CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587587285 FI Annotated Anodyne CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587587287 FI Annotated Anodyne CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587587288 FI Annotated Anodyne CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587587289 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccccn1 ZINC000587587462 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccccn1 ZINC000587587464 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccccn1 ZINC000587587467 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccccn1 ZINC000587587471 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccccc12 ZINC000587587537 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccccc12 ZINC000587587539 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccccc12 ZINC000587587541 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccccc12 ZINC000587587542 FI Annotated Anodyne CC(C)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587632 FI Annotated Anodyne CC(C)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587636 FI Annotated Anodyne CC(C)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587638 FI Annotated Anodyne CC(C)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587640 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CCC1 ZINC000587587700 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CCC1 ZINC000587587704 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CCC1 ZINC000587587706 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CCC1 ZINC000587587708 FI Annotated Anodyne CC(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587716 FI Annotated Anodyne CC(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587721 FI Annotated Anodyne CC(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587722 FI Annotated Anodyne CC(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587723 FI Annotated Anodyne C[C@@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587771 FI Annotated Anodyne C[C@@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587773 FI Annotated Anodyne C[C@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587775 FI Annotated Anodyne C[C@]1(c2c[nH]c3cccnc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587778 FI Annotated Anodyne CC(C)[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587798 FI Annotated Anodyne CC(C)[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587800 FI Annotated Anodyne CC(C)[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587803 FI Annotated Anodyne CC(C)[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587805 FI Annotated Anodyne CCc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587935 FI Annotated Anodyne CCc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587938 FI Annotated Anodyne CCc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587939 FI Annotated Anodyne CCc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587940 FI Annotated Anodyne CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 ZINC000587587961 FI Annotated Anodyne CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 ZINC000587587962 FI Annotated Anodyne CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 ZINC000587587963 FI Annotated Anodyne CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 ZINC000587587964 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nccnc12 ZINC000587588106 FI Annotated Anodyne Cc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587588107 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nccnc12 ZINC000587588109 FI Annotated Anodyne Cc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587588110 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nccnc12 ZINC000587588111 FI Annotated Anodyne Cc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587588112 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nccnc12 ZINC000587588114 FI Annotated Anodyne Cc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587588115 FI Annotated Anodyne Cc1cncc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588116 FI Annotated Anodyne Cc1cncc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588118 FI Annotated Anodyne Cc1cncc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587588120 FI Annotated Anodyne Cc1cncc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587588122 FI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587588165 FI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587588167 FI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587588169 FI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587588171 FI Annotated Anodyne CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 ZINC000587588281 FI Annotated Anodyne CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 ZINC000587588282 FI Annotated Anodyne CC(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 ZINC000587588283 FI Annotated Anodyne CC(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 ZINC000587588284 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccoc2cn1 ZINC000587588319 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccoc2cn1 ZINC000587588320 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccoc2cn1 ZINC000587588321 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccoc2cn1 ZINC000587588322 FI Annotated Anodyne C[C@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588611 FI Annotated Anodyne C[C@@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588612 FI Annotated Anodyne C[C@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588613 FI Annotated Anodyne C[C@@]1(c2cnc3ccoc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588614 FI Annotated Anodyne CCCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587588717 FI Annotated Anodyne CCCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587588718 FI Annotated Anodyne CCCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587588719 FI Annotated Anodyne CCCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587588721 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)C1CC1 ZINC000587588834 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)C1CC1 ZINC000587588836 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)C1CC1 ZINC000587588839 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)C1CC1 ZINC000587588842 FI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587588851 FI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587588852 FI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587588854 FI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587588855 FI Annotated Anodyne CC(C)c1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 ZINC000587588903 FI Annotated Anodyne CC(C)c1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 ZINC000587588904 FI Annotated Anodyne CC(C)c1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 ZINC000587588905 FI Annotated Anodyne CC(C)c1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 ZINC000587588906 FI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588919 FI Annotated Anodyne CCc1noc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588920 FI Annotated Anodyne CCc1noc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588921 FI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588922 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2o1 ZINC000587588959 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2o1 ZINC000587588960 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2o1 ZINC000587588961 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2o1 ZINC000587588962 FI Annotated Anodyne C[C@@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589080 FI Annotated Anodyne C[C@@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589092 FI Annotated Anodyne C[C@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589094 FI Annotated Anodyne C[C@]1(c2cc[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589097 FI Annotated Anodyne Cc1cccnc1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589160 FI Annotated Anodyne Cc1cccnc1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589162 FI Annotated Anodyne Cc1cccnc1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589164 FI Annotated Anodyne Cc1cccnc1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589166 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccc2n1 ZINC000587589171 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccc2n1 ZINC000587589172 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccc2n1 ZINC000587589173 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccc2n1 ZINC000587589174 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2n1 ZINC000587589183 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2n1 ZINC000587589184 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2n1 ZINC000587589185 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2n1 ZINC000587589186 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncoc2c1 ZINC000587589217 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncoc2c1 ZINC000587589218 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncoc2c1 ZINC000587589219 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncoc2c1 ZINC000587589220 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2cnccc12 ZINC000587589221 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc2cnccc12 ZINC000587589222 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2cnccc12 ZINC000587589223 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc2cnccc12 ZINC000587589224 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589351 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589353 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589354 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589356 FI Annotated Anodyne Cc1ccnc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587589396 FI Annotated Anodyne Cc1ccnc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587589397 FI Annotated Anodyne Cc1ccnc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587589398 FI Annotated Anodyne Cc1ccnc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587589400 FI Annotated Anodyne C[C@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589465 FI Annotated Anodyne C[C@@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589466 FI Annotated Anodyne C[C@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589467 FI Annotated Anodyne C[C@@]1(c2c[nH]c3ccncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589468 FI Annotated Anodyne CC(C)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589471 FI Annotated Anodyne CC(C)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589472 FI Annotated Anodyne CC(C)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589473 FI Annotated Anodyne CC(C)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589474 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccoc2c1 ZINC000587589535 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccoc2c1 ZINC000587589536 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccoc2c1 ZINC000587589537 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccoc2c1 ZINC000587589538 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587589621 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587589622 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587589623 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587589624 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)C1CC1 ZINC000587589653 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)C1CC1 ZINC000587589654 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)C1CC1 ZINC000587589655 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)C1CC1 ZINC000587589656 FI Annotated Anodyne Cc1c[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589717 FI Annotated Anodyne Cc1c[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589718 FI Annotated Anodyne Cc1c[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589719 FI Annotated Anodyne Cc1c[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589720 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncccc2o1 ZINC000587589968 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncccc2o1 ZINC000587589969 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncccc2o1 ZINC000587589970 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncccc2o1 ZINC000587589971 FI Annotated Anodyne C[C@@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590216 FI Annotated Anodyne C[C@@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590218 FI Annotated Anodyne C[C@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590221 FI Annotated Anodyne C[C@]1(c2c[nH]c3nccc-3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590223 FI Annotated Anodyne C[C@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590285 FI Annotated Anodyne C[C@@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590287 FI Annotated Anodyne C[C@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590289 FI Annotated Anodyne C[C@@]1(c2c[nH]c3cnccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590291 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587590343 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587590344 FI Annotated Anodyne CC(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587590351 FI Annotated Anodyne CC(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587590352 FI Annotated Anodyne CC(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587590353 FI Annotated Anodyne CC(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587590354 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587590479 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587590481 FI Annotated Anodyne Cc1cccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn12 ZINC000587590637 FI Annotated Anodyne Cc1cccc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn12 ZINC000587590638 FI Annotated Anodyne Cc1cccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn12 ZINC000587590640 FI Annotated Anodyne Cc1cccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn12 ZINC000587590642 FI Annotated Anodyne Cc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 ZINC000587590884 FI Annotated Anodyne Cc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 ZINC000587590885 FI Annotated Anodyne Cc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 ZINC000587590886 FI Annotated Anodyne Cc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 ZINC000587590887 FI Annotated Anodyne Cc1cccc(OC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590990 FI Annotated Anodyne Cc1cccc(OC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590995 FI Annotated Anodyne Cc1cccc(OC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590997 FI Annotated Anodyne Cc1cccc(OC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590998 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccccc12 ZINC000587591105 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccccc12 ZINC000587591108 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccccc12 ZINC000587591113 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccccc12 ZINC000587591115 FI Annotated Anodyne Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c12 ZINC000587591299 FI Annotated Anodyne Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c12 ZINC000587591300 FI Annotated Anodyne Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c12 ZINC000587591301 FI Annotated Anodyne Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c12 ZINC000587591302 FI Annotated Anodyne C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591623 FI Annotated Anodyne C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591628 FI Annotated Anodyne C[C@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591629 FI Annotated Anodyne C[C@@]1(COc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591631 FI Annotated Anodyne COCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591943 FI Annotated Anodyne COCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591947 FI Annotated Anodyne Cc1cccc2c1NCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591962 FI Annotated Anodyne Cc1cccc2c1NCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591971 FI Annotated Anodyne Cc1cccc2c1NCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591974 FI Annotated Anodyne Cc1cccc2c1NCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591978 FI Annotated Anodyne COCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592151 FI Annotated Anodyne COCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592152 FI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C ZINC000587592159 FI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C ZINC000587592160 FI Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C ZINC000587592161 FI Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C ZINC000587592163 FI Annotated Anodyne C[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592342 FI Annotated Anodyne C[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592343 FI Annotated Anodyne C[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592346 FI Annotated Anodyne C[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592350 FI Annotated Anodyne C[C@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592873 FI Annotated Anodyne C[C@@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592874 FI Annotated Anodyne C[C@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592875 FI Annotated Anodyne C[C@@]1(c2cccc3[nH]ncc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592876 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587593037 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587593038 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587593040 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587593042 FI Annotated Anodyne CC(C)COCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593314 FI Annotated Anodyne CC(C)COCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593316 FI Annotated Anodyne CC(C)COCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593317 FI Annotated Anodyne CC(C)COCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593319 FI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587593337 FI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587593339 FI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587593341 FI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587593343 FI Annotated Anodyne CCOC1=C[C@@]2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593491 FI Annotated Anodyne CCOC1=C[C@]2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593492 FI Annotated Anodyne CCOC1=C[C@]2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593493 FI Annotated Anodyne CCOC1=C[C@@]2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593494 FI Annotated Anodyne Cc1ccc(OC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593681 FI Annotated Anodyne Cc1ccc(OC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593682 FI Annotated Anodyne Cc1ccc(OC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593683 FI Annotated Anodyne Cc1ccc(OC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593684 FI Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]n1 ZINC000587593919 FI Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]n1 ZINC000587593923 FI Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]n1 ZINC000587593926 FI Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]n1 ZINC000587593930 FI Annotated Anodyne C[C@@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594054 FI Annotated Anodyne C[C@@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594057 FI Annotated Anodyne C[C@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594059 FI Annotated Anodyne C[C@]1(c2cccc3c[nH]nc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594061 FI Annotated Anodyne C#CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594505 FI Annotated Mild C#CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594511 FI Annotated Mild C#CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594513 FI Annotated Mild C#CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594516 FI Annotated Mild C[C@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595006 FI Annotated Anodyne C[C@@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595009 FI Annotated Anodyne C[C@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595012 FI Annotated Anodyne C[C@@]1(c2ccc3c[nH]nc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595015 FI Annotated Anodyne CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595646 FI Annotated Anodyne CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595647 FI Annotated Anodyne CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595649 FI Annotated Anodyne CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595650 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccccc12 ZINC000587595851 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1ccccc12 ZINC000587595852 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccccc12 ZINC000587595853 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1ccccc12 ZINC000587595854 FI Annotated Anodyne C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595855 FI Annotated Mild C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595856 FI Annotated Mild C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595857 FI Annotated Mild C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595858 FI Annotated Mild COc1ccc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596075 FI Annotated Anodyne COc1ccc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596077 FI Annotated Anodyne COc1ccc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596079 FI Annotated Anodyne COc1ccc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596080 FI Annotated Anodyne CN1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587596163 FI Annotated Anodyne CN1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587596169 FI Annotated Anodyne CN1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587596171 FI Annotated Anodyne CN1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587596173 FI Annotated Anodyne COCC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596337 FI Annotated Anodyne COCC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596338 FI Annotated Anodyne COCC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596339 FI Annotated Anodyne COCC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596340 FI Annotated Anodyne COCc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596387 FI Annotated Anodyne COCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596389 FI Annotated Anodyne COCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596391 FI Annotated Anodyne COCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596393 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc[nH]n2)o1 ZINC000587596744 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc[nH]n2)o1 ZINC000587596745 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc[nH]n2)o1 ZINC000587596746 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc[nH]n2)o1 ZINC000587596747 FI Annotated Anodyne COc1cc(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596934 FI Annotated Anodyne COc1cc(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596935 FI Annotated Anodyne COc1cc(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596936 FI Annotated Anodyne COc1cc(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596937 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCCC2 ZINC000587597104 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCCC2 ZINC000587597113 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCCC2 ZINC000587597114 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCCC2 ZINC000587597116 FI Annotated Anodyne COc1cccc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597369 FI Annotated Anodyne COc1cccc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597370 FI Annotated Anodyne COc1cccc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597371 FI Annotated Anodyne COc1cccc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597372 FI Annotated Anodyne CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597639 FI Annotated Anodyne CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597641 FI Annotated Anodyne CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597643 FI Annotated Anodyne CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597645 FI Annotated Anodyne Cc1ccccc1OC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597702 FI Annotated Anodyne Cc1ccccc1OC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597704 FI Annotated Anodyne Cc1ccccc1OC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597706 FI Annotated Anodyne Cc1ccccc1OC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597708 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCC2 ZINC000587597904 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1NCC2 ZINC000587597911 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCC2 ZINC000587597914 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1NCC2 ZINC000587597917 FI Annotated Anodyne COc1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597958 FI Annotated Anodyne COc1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597962 FI Annotated Anodyne COc1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597964 FI Annotated Anodyne COc1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597967 FI Annotated Anodyne C[C@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598006 FI Annotated Anodyne C[C@@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598008 FI Annotated Anodyne C[C@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598010 FI Annotated Anodyne C[C@@]1(c2ccc3[nH]ncc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598013 FI Annotated Anodyne COc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587598050 FI Annotated Anodyne COc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587598052 FI Annotated Anodyne COc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587598054 FI Annotated Anodyne COc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587598055 FI Annotated Anodyne CC1(C)CC2(CC(C)(C)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598368 FI Annotated Anodyne CC1(C)CC2(CC(C)(C)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598372 FI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598413 FI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598416 FI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598422 FI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCN3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598426 FI Annotated Anodyne COC1(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 ZINC000587598467 FI Annotated Anodyne COC1(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 ZINC000587598468 FI Annotated Anodyne COC1(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 ZINC000587598470 FI Annotated Anodyne COC1(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 ZINC000587598471 FI Annotated Anodyne C#CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598796 FI Annotated Mild C#CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598797 FI Annotated Mild C#CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598798 FI Annotated Mild C#CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598799 FI Annotated Mild C[C@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598949 FI Annotated Anodyne C[C@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598951 FI Annotated Anodyne C[C@@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598952 FI Annotated Anodyne C[C@@]1(c2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598953 FI Annotated Anodyne COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599003 FI Annotated Anodyne COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599005 FI Annotated Anodyne COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599007 FI Annotated Anodyne COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599009 FI Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599141 FI Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599142 FI Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599143 FI Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599144 FI Annotated Anodyne CC(=O)CC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599188 FI Annotated Anodyne CC(=O)CC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599189 FI Annotated Anodyne CC(=O)CC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599191 FI Annotated Anodyne CC(=O)CC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599193 FI Annotated Anodyne CCC(=O)CC[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599256 FI Annotated Anodyne CCC(=O)CC[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599257 FI Annotated Anodyne CCC(=O)CC[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599258 FI Annotated Anodyne CCC(=O)CC[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599259 FI Annotated Anodyne CCOC1=C(C)[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599591 FI Annotated Anodyne CCOC1=C(C)[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599593 FI Annotated Anodyne CCOC1=C(C)[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599594 FI Annotated Anodyne CCOC1=C(C)[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599596 FI Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599939 FI Annotated Anodyne CC(C)C(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599940 FI Annotated Anodyne CC(C)C(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599941 FI Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599942 FI Annotated Anodyne COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599983 FI Annotated Anodyne COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599984 FI Annotated Anodyne COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599985 FI Annotated Anodyne COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599986 FI Annotated Anodyne CC(C)(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600069 FI Annotated Anodyne CC(C)(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600070 FI Annotated Anodyne CC(C)OC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600153 FI Annotated Anodyne CC(C)OC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600154 FI Annotated Anodyne COC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 ZINC000587600196 FI Annotated Anodyne COC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 ZINC000587600197 FI Annotated Anodyne COC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 ZINC000587600198 FI Annotated Anodyne COC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 ZINC000587600200 FI Annotated Anodyne COc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600626 FI Annotated Anodyne COc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600633 FI Annotated Anodyne COc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600635 FI Annotated Anodyne COc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600637 FI Annotated Anodyne C[C@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600641 FI Annotated Anodyne C[C@@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600642 FI Annotated Anodyne C[C@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600643 FI Annotated Anodyne C[C@@]1(c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600645 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(Oc1ccccc1)C2 ZINC000587600721 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(Oc1ccccc1)C2 ZINC000587600723 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587600726 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587600727 FI Annotated Anodyne CC(=O)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600728 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587600730 FI Annotated Anodyne CC(=O)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600731 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587600732 FI Annotated Anodyne CC(=O)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600733 FI Annotated Anodyne CC(=O)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600735 FI Annotated Anodyne CCC1(CC)[C@H](OC)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601074 FI Annotated Anodyne CCC1(CC)[C@H](OC)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601075 FI Annotated Anodyne CCC1(CC)[C@H](OC)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601076 FI Annotated Anodyne CCC1(CC)[C@H](OC)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601077 FI Annotated Anodyne CCO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601102 FI Annotated Anodyne CCO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601103 FI Annotated Anodyne CCO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601104 FI Annotated Anodyne CCO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601105 FI Annotated Anodyne CC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601132 FI Annotated Anodyne CC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601133 FI Annotated Anodyne CC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601134 FI Annotated Anodyne CC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601135 FI Annotated Anodyne C#Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601176 FI Annotated Mild C#Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601177 FI Annotated Mild C#Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601178 FI Annotated Mild C#Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601179 FI Annotated Mild COc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601259 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601261 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601263 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601265 FI Annotated Anodyne COc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601299 FI Annotated Anodyne COc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601301 FI Annotated Anodyne COc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601303 FI Annotated Anodyne COc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601306 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCC2 ZINC000587601321 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCC2 ZINC000587601323 FI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCC2 ZINC000587601324 FI Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCC2 ZINC000587601326 FI Annotated Anodyne CC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601422 FI Annotated Anodyne CC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601423 FI Annotated Anodyne CC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601424 FI Annotated Anodyne CC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601425 FI Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601506 FI Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601508 FI Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601510 FI Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601513 FI Annotated Anodyne COc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601594 FI Annotated Anodyne COc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601596 FI Annotated Anodyne COc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601598 FI Annotated Anodyne COc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601600 FI Annotated Anodyne CC(C)(CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587601655 FI Annotated Anodyne CC(C)(CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587601656 FI Annotated Anodyne CC(C)(CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587601657 FI Annotated Anodyne CC(C)(CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587601658 FI Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601844 FI Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601846 FI Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601848 FI Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601850 FI Annotated Anodyne C#Cc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602058 FI Annotated Mild C#Cc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602059 FI Annotated Mild C#Cc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602060 FI Annotated Mild C#Cc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602061 FI Annotated Mild C[C@]1(C#Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602082 FI Annotated Mild C[C@]1(C#Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602083 FI Annotated Mild C[C@@]1(C#Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602084 FI Annotated Mild C[C@@]1(C#Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602085 FI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCOC1CCCC1 ZINC000587602467 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCOC1CCCC1 ZINC000587602469 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCOC1CCCC1 ZINC000587602471 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCOC1CCCC1 ZINC000587602472 FI Annotated Anodyne CC(C)O[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587602503 FI Annotated Anodyne CC(C)O[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587602508 FI Annotated Anodyne CC(C)O[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587602510 FI Annotated Anodyne CC(C)O[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587602513 FI Annotated Anodyne CC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587602628 FI Annotated Anodyne CC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587602629 FI Annotated Anodyne CC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587602631 FI Annotated Anodyne CC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587602632 FI Annotated Anodyne C#C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602684 FI Annotated Mild C#C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602685 FI Annotated Mild C#C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602686 FI Annotated Mild C#C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602687 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1Cc2ccccc2C1 ZINC000587603255 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1Cc2ccccc2C1 ZINC000587603259 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1Cc2ccccc2C1 ZINC000587603260 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1Cc2ccccc2C1 ZINC000587603262 FI Annotated Anodyne CC(C)(CCC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603302 FI Annotated Anodyne CC(C)(CCC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603303 FI Annotated Anodyne CC(C)(CCC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603304 FI Annotated Anodyne CC(C)(CCC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603305 FI Annotated Anodyne C[C@@H]1CC(C)(C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603315 FI Annotated Anodyne C[C@@H]1CC(C)(C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603316 FI Annotated Anodyne C[C@@H]1CC(C)(C)CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603317 FI Annotated Anodyne C[C@@H]1CC(C)(C)CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603319 FI Annotated Anodyne C[C@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603365 FI Annotated Anodyne C[C@@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603368 FI Annotated Anodyne C[C@@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603370 FI Annotated Anodyne C[C@]1(CCCCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603371 FI Annotated Anodyne C[C@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603405 FI Annotated Anodyne C[C@@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603406 FI Annotated Anodyne C[C@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603407 FI Annotated Anodyne C[C@@]1(c2ccc(C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603408 FI Annotated Anodyne C#Cc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603617 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603619 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603620 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603621 FI Annotated Mild Cc1cccc(C)c1C(=O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603721 FI Annotated Anodyne Cc1cccc(C)c1C(=O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603722 FI Annotated Anodyne Cc1cccc(C)c1C(=O)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603723 FI Annotated Anodyne Cc1cccc(C)c1C(=O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603724 FI Annotated Anodyne Cc1cccc(C)c1[C@@]1(C=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603967 FI Annotated Mild Cc1cccc(C)c1[C@@]1(C=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603968 FI Annotated Mild Cc1cccc(C)c1[C@]1(C=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603969 FI Annotated Mild Cc1cccc(C)c1[C@]1(C=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603970 FI Annotated Mild C[C@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604042 FI Annotated Anodyne C[C@@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604044 FI Annotated Anodyne C[C@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604045 FI Annotated Anodyne C[C@@]1(c2ccccc2C=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604047 FI Annotated Anodyne CC(C)(C)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604130 FI Annotated Anodyne CC(C)(C)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604131 FI Annotated Anodyne CC(C)(C)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604132 FI Annotated Anodyne CC(C)(C)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604133 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCc2ccccc21 ZINC000587604138 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCc2ccccc21 ZINC000587604139 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCc2ccccc21 ZINC000587604140 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCc2ccccc21 ZINC000587604141 FI Annotated Anodyne C[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604278 FI Annotated Anodyne C[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604279 FI Annotated Anodyne C[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604280 FI Annotated Anodyne C[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604281 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1C2 ZINC000587604304 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1C2 ZINC000587604305 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1C2 ZINC000587604306 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1C2 ZINC000587604307 FI Annotated Anodyne Cc1cc(C)cc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604431 FI Annotated Anodyne Cc1cc(C)cc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604432 FI Annotated Anodyne Cc1cc(C)cc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604433 FI Annotated Anodyne Cc1cc(C)cc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604434 FI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604454 FI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604455 FI Annotated Anodyne CCCCCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604456 FI Annotated Anodyne CCCCCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604457 FI Annotated Anodyne CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604559 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604560 FI Annotated Anodyne CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604561 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604562 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2)CC1 ZINC000587604567 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2)CC1 ZINC000587604568 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2)CC1 ZINC000587604569 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2)CC1 ZINC000587604570 FI Annotated Anodyne Cc1cc(C)cc([C@@]2(C=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604605 FI Annotated Mild Cc1cc(C)cc([C@@]2(C=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604606 FI Annotated Mild Cc1cc(C)cc([C@]2(C=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604607 FI Annotated Mild Cc1cc(C)cc([C@]2(C=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604608 FI Annotated Mild C[C@]1(C[C@@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604678 FI Annotated Anodyne C[C@]1(C[C@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604679 FI Annotated Anodyne C[C@]1(C[C@@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604680 FI Annotated Anodyne C[C@]1(C[C@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604681 FI Annotated Anodyne C[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604700 FI Annotated Anodyne C[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604701 FI Annotated Anodyne C[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604702 FI Annotated Anodyne C[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604703 FI Annotated Anodyne CC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604797 FI Annotated Anodyne CC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604798 FI Annotated Anodyne CC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604799 FI Annotated Anodyne CC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604800 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604990 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604992 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604994 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604995 FI Annotated Anodyne C[C@@H]1CC(C)(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587605299 FI Annotated Anodyne C[C@@H]1CC(C)(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587605300 FI Annotated Anodyne C[C@@H]1CC(C)(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587605301 FI Annotated Anodyne C[C@@H]1CC(C)(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587605302 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O ZINC000587605531 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O ZINC000587605532 FI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O ZINC000587605533 FI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O ZINC000587605534 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](O)c1ccccc12 ZINC000587605559 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](O)c1ccccc12 ZINC000587605560 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](O)c1ccccc12 ZINC000587605561 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](O)c1ccccc12 ZINC000587605562 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1O ZINC000587605911 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1O ZINC000587605912 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1O ZINC000587605913 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1O ZINC000587605914 FI Annotated Anodyne C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587606170 FI Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587606171 FI Annotated Anodyne C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587606172 FI Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587606173 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCCO1)CC2 ZINC000587606174 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCCO1)CC2 ZINC000587606175 FI Annotated Anodyne CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606295 FI Annotated Anodyne CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606296 FI Annotated Anodyne CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606297 FI Annotated Anodyne CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606298 FI Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606450 FI Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606451 FI Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606452 FI Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606453 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)COC2 ZINC000587606506 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)COC2 ZINC000587606507 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)COC2 ZINC000587606508 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)COC2 ZINC000587606509 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCC2 ZINC000587606874 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCC2 ZINC000587606876 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCC2 ZINC000587606878 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCC2 ZINC000587606880 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587607003 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587607004 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587607005 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587607006 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(O)ccc12 ZINC000587607317 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(O)ccc12 ZINC000587607318 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(O)ccc12 ZINC000587607319 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(O)ccc12 ZINC000587607320 FI Annotated Anodyne Cc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587607444 FI Annotated Anodyne Cc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587607446 FI Annotated Anodyne Cc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587607448 FI Annotated Anodyne Cc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587607449 FI Annotated Anodyne C[C@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607897 FI Annotated Anodyne C[C@@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607900 FI Annotated Anodyne C[C@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607904 FI Annotated Anodyne C[C@@]1(Cc2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607906 FI Annotated Anodyne Cc1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608098 FI Annotated Anodyne Cc1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608099 FI Annotated Anodyne Cc1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608100 FI Annotated Anodyne Cc1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608101 FI Annotated Anodyne CCC[C@H](O)[C@@]1(CCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608230 FI Annotated Anodyne CCC[C@H](O)[C@]1(CCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608231 FI Annotated Anodyne CCC[C@H](O)[C@@]1(CCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608232 FI Annotated Anodyne CCC[C@H](O)[C@]1(CCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608233 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(O)cc12 ZINC000587608280 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(O)cc12 ZINC000587608282 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(O)cc12 ZINC000587608284 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(O)cc12 ZINC000587608285 FI Annotated Anodyne CCc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608558 FI Annotated Anodyne CCc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608559 FI Annotated Anodyne CCc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608560 FI Annotated Anodyne CCc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608561 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccccc12 ZINC000587608723 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1ccccc12 ZINC000587608731 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccccc12 ZINC000587608733 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1ccccc12 ZINC000587608734 FI Annotated Anodyne CC[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608826 FI Annotated Anodyne CC[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608827 FI Annotated Anodyne CC[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608828 FI Annotated Anodyne CC[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608829 FI Annotated Anodyne Cc1cc(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608853 FI Annotated Anodyne Cc1cc(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608854 FI Annotated Anodyne Cc1cc(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608855 FI Annotated Anodyne Cc1cc(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608856 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Cl)n1 ZINC000587608878 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Cl)n1 ZINC000587608882 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Cl)n1 ZINC000587608883 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Cl)n1 ZINC000587608885 FI Annotated Anodyne Cc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587608890 FI Annotated Anodyne Cc1ccc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587608891 FI Annotated Anodyne Cc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587608892 FI Annotated Anodyne Cc1ccc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587608893 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000587609049 FI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000587609060 FI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000587609061 FI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000587609062 FI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC21CCOCC1 ZINC000587609143 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCC21CCOCC1 ZINC000587609145 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC21CCOCC1 ZINC000587609147 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCC21CCOCC1 ZINC000587609149 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609339 FI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609341 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609342 FI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O ZINC000587609344 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C ZINC000587609383 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C ZINC000587609385 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C ZINC000587609388 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C ZINC000587609390 FI Annotated Anodyne CC1(C)C[C@]2(C)O[C@@H]2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609546 FI Annotated Anodyne CC1(C)C[C@]2(C)O[C@@H]2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609547 FI Annotated Anodyne CC1(C)C[C@]2(C)O[C@@H]2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609548 FI Annotated Anodyne CC1(C)C[C@]2(C)O[C@@H]2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609549 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(O)cc1 ZINC000587609688 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(O)cc1 ZINC000587609689 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(O)cc1 ZINC000587609690 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(O)cc1 ZINC000587609691 FI Annotated Anodyne CCc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609700 FI Annotated Anodyne CCc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609701 FI Annotated Anodyne CCc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609702 FI Annotated Anodyne CCc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609703 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCOC1)CC2 ZINC000587610168 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCOC1)CC2 ZINC000587610170 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)cs1 ZINC000587610191 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)cs1 ZINC000587610202 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)cs1 ZINC000587610205 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)cs1 ZINC000587610206 FI Annotated Anodyne C[C@H](CC1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610270 FI Annotated Anodyne C[C@H](CC1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610274 FI Annotated Anodyne C[C@H](CC1CCOCC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610276 FI Annotated Anodyne C[C@H](CC1CCOCC1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610280 FI Annotated Anodyne Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587610371 FI Annotated Anodyne Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587610379 FI Annotated Anodyne Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587610380 FI Annotated Anodyne Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587610382 FI Annotated Anodyne COc1ccsc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610463 FI Annotated Anodyne COc1ccsc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610467 FI Annotated Anodyne COc1ccsc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610469 FI Annotated Anodyne COc1ccsc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610471 FI Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610493 FI Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610494 FI Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610495 FI Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610496 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)s1 ZINC000587610779 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)s1 ZINC000587610791 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)s1 ZINC000587610795 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)s1 ZINC000587610798 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610961 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610963 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610966 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610969 FI Annotated Anodyne C[C@]1(c2ccc(C#N)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611200 FI Annotated Mild C[C@@]1(c2ccc(C#N)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611206 FI Annotated Mild C[C@@]1(c2ccc(C#N)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611208 FI Annotated Mild C[C@]1(c2ccc(C#N)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611209 FI Annotated Mild Cc1cc(O)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611256 FI Annotated Anodyne Cc1cc(O)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611258 FI Annotated Anodyne Cc1cc(O)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611261 FI Annotated Anodyne Cc1cc(O)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611262 FI Annotated Anodyne CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611291 FI Annotated Anodyne CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611296 FI Annotated Anodyne CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611297 FI Annotated Anodyne CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611298 FI Annotated Anodyne Cc1cc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611325 FI Annotated Anodyne Cc1cc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611327 FI Annotated Anodyne Cc1cc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611329 FI Annotated Anodyne Cc1cc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611331 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(O)cccc12 ZINC000587611365 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(O)cccc12 ZINC000587611366 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c(O)cccc12 ZINC000587611367 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c(O)cccc12 ZINC000587611368 FI Annotated Anodyne C[C@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611378 FI Annotated Anodyne C[C@@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611380 FI Annotated Anodyne C[C@@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611381 FI Annotated Anodyne C[C@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611383 FI Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C ZINC000587611397 FI Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C ZINC000587611412 FI Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C ZINC000587611413 FI Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C ZINC000587611415 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCCO2 ZINC000587611470 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCCO2 ZINC000587611471 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCCO2 ZINC000587611472 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCCO2 ZINC000587611473 FI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612048 FI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612049 FI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612051 FI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612053 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc([N+](=O)[O-])c1 ZINC000587612056 FI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc([N+](=O)[O-])c1 ZINC000587612057 FI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc([N+](=O)[O-])c1 ZINC000587612058 FI Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc([N+](=O)[O-])c1 ZINC000587612059 FI Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccccc12 ZINC000587612130 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccccc12 ZINC000587612131 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccccc12 ZINC000587612132 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccccc12 ZINC000587612133 FI Annotated Anodyne N#CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612188 FI Annotated Mild N#CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612189 FI Annotated Mild N#CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612190 FI Annotated Mild N#CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612191 FI Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCO2 ZINC000587612472 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCO2 ZINC000587612476 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCO2 ZINC000587612477 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCO2 ZINC000587612478 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCOc2ccccc21 ZINC000587612534 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCOc2ccccc21 ZINC000587612535 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCOc2ccccc21 ZINC000587612536 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCOc2ccccc21 ZINC000587612537 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 ZINC000587612615 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 ZINC000587612616 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 ZINC000587612617 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 ZINC000587612618 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612623 FI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612625 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612627 FI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612629 FI Annotated Anodyne CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612725 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612727 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612729 FI Annotated Anodyne CC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612730 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccccc12 ZINC000587612897 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccccc12 ZINC000587612898 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccccc12 ZINC000587612900 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccccc12 ZINC000587612902 FI Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613427 FI Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613428 FI Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613429 FI Annotated Anodyne Cc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613430 FI Annotated Anodyne C[C@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613847 FI Annotated Anodyne C[C@@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613850 FI Annotated Anodyne C[C@@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613852 FI Annotated Anodyne C[C@]1(c2cc(C=O)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613854 FI Annotated Anodyne CC(C)[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 ZINC000587614068 FI Annotated Anodyne CC(C)[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 ZINC000587614071 FI Annotated Anodyne CC(C)[C@@H]1C[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 ZINC000587614075 FI Annotated Anodyne CC(C)[C@@H]1C[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 ZINC000587614080 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587614195 FI Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587614196 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587614198 FI Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587614200 FI Annotated Anodyne CC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587614330 FI Annotated Anodyne CC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587614331 FI Annotated Anodyne CC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587614332 FI Annotated Anodyne CC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587614333 FI Annotated Anodyne Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614395 FI Annotated Anodyne Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614397 FI Annotated Anodyne Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614399 FI Annotated Anodyne Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614400 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1OC2 ZINC000587614536 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc1OC2 ZINC000587614537 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1OC2 ZINC000587614538 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc1OC2 ZINC000587614539 FI Annotated Anodyne N#C[C@H](c1cccs1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614748 FI Annotated Mild N#C[C@H](c1cccs1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614749 FI Annotated Mild N#C[C@H](c1cccs1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614750 FI Annotated Mild N#C[C@H](c1cccs1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614751 FI Annotated Mild CCc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587614772 FI Annotated Anodyne CCc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587614773 FI Annotated Anodyne CCc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587614774 FI Annotated Anodyne CCc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587614775 FI Annotated Anodyne CCc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615032 FI Annotated Anodyne CCc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615033 FI Annotated Anodyne CCc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615034 FI Annotated Anodyne CCc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615035 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(C2CC2)n1 ZINC000587615076 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(C2CC2)n1 ZINC000587615081 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(C2CC2)n1 ZINC000587615083 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(C2CC2)n1 ZINC000587615084 FI Annotated Anodyne CCc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587615115 FI Annotated Anodyne CCc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587615117 FI Annotated Anodyne CCc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587615118 FI Annotated Anodyne CCc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587615120 FI Annotated Anodyne CS[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587615186 FI Annotated Anodyne CS[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587615187 FI Annotated Anodyne CS[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587615188 FI Annotated Anodyne CS[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587615189 FI Annotated Anodyne Cc1coc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615216 FI Annotated Anodyne Cc1coc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615217 FI Annotated Anodyne Cc1coc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615218 FI Annotated Anodyne Cc1coc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615219 FI Annotated Anodyne C[C@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615300 FI Annotated Anodyne C[C@@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615302 FI Annotated Anodyne C[C@@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615304 FI Annotated Anodyne C[C@]1(c2ccc(C=O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615305 FI Annotated Anodyne Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615307 FI Annotated Anodyne Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615310 FI Annotated Anodyne Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587615312 FI Annotated Anodyne Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587615314 FI Annotated Anodyne COc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615593 FI Annotated Anodyne COc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615597 FI Annotated Anodyne COc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615598 FI Annotated Anodyne COc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615600 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CC2)s1 ZINC000587615672 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CC2)s1 ZINC000587615674 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CC2)s1 ZINC000587615675 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CC2)s1 ZINC000587615676 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1scnc12 ZINC000587616024 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1scnc12 ZINC000587616030 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1scnc12 ZINC000587616032 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1scnc12 ZINC000587616035 FI Annotated Anodyne CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616184 FI Annotated Anodyne CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616185 FI Annotated Anodyne CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616187 FI Annotated Anodyne CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616189 FI Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)O1 ZINC000587616491 FI Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)O1 ZINC000587616492 FI Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)O1 ZINC000587616493 FI Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)O1 ZINC000587616494 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccco1)c1ccco1 ZINC000587616631 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccco1)c1ccco1 ZINC000587616632 FI Annotated Anodyne C[C@@H]1Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 ZINC000587616677 FI Annotated Anodyne C[C@@H]1Cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 ZINC000587616678 FI Annotated Anodyne C[C@@H]1Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 ZINC000587616679 FI Annotated Anodyne C[C@@H]1Cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 ZINC000587616680 FI Annotated Anodyne N#CC[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616732 FI Annotated Mild N#CC[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616733 FI Annotated Mild N#CC[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616734 FI Annotated Mild N#CC[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616735 FI Annotated Mild Cc1ncsc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616765 FI Annotated Anodyne Cc1ncsc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616766 FI Annotated Anodyne Cc1ncsc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616767 FI Annotated Anodyne Cc1ncsc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616768 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 ZINC000587616881 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 ZINC000587616882 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 ZINC000587616883 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 ZINC000587616884 FI Annotated Anodyne CC[C@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617005 FI Annotated Anodyne CC[C@@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617006 FI Annotated Anodyne CC[C@@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617007 FI Annotated Anodyne CC[C@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617008 FI Annotated Anodyne CCOCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617021 FI Annotated Anodyne CCOCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617022 FI Annotated Anodyne CCOCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617023 FI Annotated Anodyne CCOCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617024 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617085 FI Annotated Anodyne CCC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617086 FI Annotated Anodyne CCC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617087 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617088 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1C1CC1 ZINC000587617214 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1scnc1C1CC1 ZINC000587617215 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1scnc1C1CC1 ZINC000587617216 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1C1CC1 ZINC000587617217 FI Annotated Anodyne Cc1cc2c(o1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617469 FI Annotated Anodyne Cc1cc2c(o1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617470 FI Annotated Anodyne Cc1cc2c(o1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617471 FI Annotated Anodyne Cc1cc2c(o1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617472 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccsc12 ZINC000587617560 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccsc12 ZINC000587617561 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccsc12 ZINC000587617562 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccsc12 ZINC000587617563 FI Annotated Anodyne C[C@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617564 FI Annotated Anodyne C[C@@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617565 FI Annotated Anodyne C[C@@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617566 FI Annotated Anodyne C[C@]1(Cc2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617567 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CS1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617898 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CS1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617899 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CS1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617900 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CS1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617901 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)s1 ZINC000587618577 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Cl)s1 ZINC000587618578 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)s1 ZINC000587618579 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Cl)s1 ZINC000587618580 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1sccc12 ZINC000587618581 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1sccc12 ZINC000587618582 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1sccc12 ZINC000587618583 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1sccc12 ZINC000587618585 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)CCC2 ZINC000587618625 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)CCC2 ZINC000587618628 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)CCC2 ZINC000587618630 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)CCC2 ZINC000587618632 FI Annotated Anodyne CC1(C)SC(C)(C)C12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618634 FI Annotated Anodyne CC1(C)SC(C)(C)C12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618635 FI Annotated Anodyne CC1(C)CC2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618897 FI Annotated Anodyne CC1(C)CC2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618899 FI Annotated Anodyne CC[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619033 FI Annotated Anodyne CC[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619034 FI Annotated Anodyne CC[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619036 FI Annotated Anodyne CC[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619038 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C ZINC000587619276 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C ZINC000587619277 FI Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C ZINC000587619279 FI Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C ZINC000587619281 FI Annotated Anodyne C[C@@H]1COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619424 FI Annotated Anodyne C[C@@H]1COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619425 FI Annotated Anodyne C[C@@H]1COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619427 FI Annotated Anodyne C[C@@H]1COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619429 FI Annotated Anodyne C[C@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619723 FI Annotated Anodyne C[C@@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619724 FI Annotated Anodyne C[C@@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619725 FI Annotated Anodyne C[C@]1(CCc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619727 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1Cl ZINC000587619758 FI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1scnc1Cl ZINC000587619759 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1scnc1Cl ZINC000587619760 FI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1scnc1Cl ZINC000587619761 FI Annotated Anodyne Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587619840 FI Annotated Anodyne Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587619841 FI Annotated Anodyne Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587619842 FI Annotated Anodyne Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587619843 FI Annotated Anodyne C[C@@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620351 FI Annotated Anodyne C[C@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620354 FI Annotated Anodyne C[C@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620355 FI Annotated Anodyne C[C@@]1(c2ncc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620356 FI Annotated Anodyne C[C@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620379 FI Annotated Anodyne C[C@@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620380 FI Annotated Anodyne C[C@@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620381 FI Annotated Anodyne C[C@]1(C2CCSCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620382 FI Annotated Anodyne CC1(C)CSC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620418 FI Annotated Anodyne CC1(C)CSC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620419 FI Annotated Anodyne CC1(C)CSC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620420 FI Annotated Anodyne CC1(C)CSC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620422 FI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCBr ZINC000587620816 FI Annotated Reactive C=CCc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621146 FI Annotated Reactive CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCBr ZINC000587621538 FI Annotated Reactive Cc1c(CCCBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621555 FI Annotated Reactive CCC(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621818 FI Annotated Anodyne O=C(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C1CC1 ZINC000587621819 FI Annotated Anodyne O=C(c1c(C2CC2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621902 FI Annotated Anodyne N#Cc1c(-c2cc(Cl)ccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621972 FI Annotated Mild CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F ZINC000587622072 FI Annotated Anodyne O=C(c1c(C2CC2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F ZINC000587622231 FI Annotated Anodyne N#Cc1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622269 FI Annotated Mild OCCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622299 FI Annotated Anodyne O=C(c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C1CC1 ZINC000587622333 FI Annotated Anodyne O=C(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(F)c1 ZINC000587622347 FI Annotated Anodyne O=[N+]([O-])c1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)c1 ZINC000587622371 FI Annotated Bother O=CNc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622382 FI Annotated Anodyne CC1(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)CC1 ZINC000587622436 FI Annotated Anodyne OCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1 ZINC000587622449 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C ZINC000587622504 FI Annotated Anodyne N#Cc1c(C2CC(F)(F)C2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622531 FI Annotated Mild N#Cc1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622552 FI Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccccc1 ZINC000587622555 FI Annotated Anodyne O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622596 FI Annotated Bother O=C(c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F ZINC000587622651 FI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(F)cc1 ZINC000587622689 FI Annotated Anodyne N#Cc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622690 FI Annotated Mild CC(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622770 FI Annotated Anodyne O=C(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1 ZINC000587622806 FI Annotated Anodyne O=[N+]([O-])Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 ZINC000587622928 FI Annotated Bother Oc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623071 FI Annotated Anodyne Oc1c(Cc2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623098 FI Annotated Anodyne N#Cc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c1 ZINC000587623116 FI Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1F ZINC000587623145 FI Annotated Anodyne C=CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)OCC ZINC000587623163 FI Annotated Mild CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cccn1 ZINC000587623185 FI Annotated Anodyne COc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c1 ZINC000587623204 FI Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)OC(C)(C)C ZINC000587623219 FI Annotated Anodyne N#Cc1c(-c2ccc(O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623305 FI Annotated Mild CC(=O)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623321 FI Annotated Anodyne COc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N ZINC000587623332 FI Annotated Mild CCn1ncc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)c1C ZINC000587623352 FI Annotated Anodyne CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)c(C)n1 ZINC000587623493 FI Annotated Anodyne O=[N+]([O-])c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)cc1 ZINC000587623576 FI Annotated Bother CNc1c(-c2ccc(O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623599 FI Annotated Anodyne CC(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623615 FI Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)cc1 ZINC000587623639 FI Annotated Mild CCOc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N)cc1 ZINC000587623684 FI Annotated Anodyne COc1cccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623765 FI Annotated Anodyne CC(=O)c1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623919 FI Annotated Anodyne C[C@H](C#N)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623973 FI Annotated Mild C[C@@H](C#N)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623977 FI Annotated Mild CCc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587624068 FI Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(C#N)cc1 ZINC000587624316 FI Annotated Mild COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2c(C)cc(Cl)cc12 ZINC000587624347 FI Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2c(C)cc(Cl)cc12 ZINC000587624635 FI Annotated Anodyne CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(C#N)cc1 ZINC000587624717 FI Annotated Mild CCn1cc(Cl)c(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)OC)n1 ZINC000587624733 FI Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587624770 FI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624773 FI Annotated Mild Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587624795 FI Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587624796 FI Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624800 FI Annotated Mild Cc1cc(Cl)cc2c(CCC=O)c(CNC(=O)OC(C)(C)C)[nH]c12 ZINC000587624854 FI Annotated Mild COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1c(F)cccc1F ZINC000587624874 FI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3C)c(C(F)(F)F)[nH]c12 ZINC000587624949 FI Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(F)ccc1F ZINC000587624993 FI Annotated Anodyne CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 ZINC000587625042 FI Annotated Anodyne COC(=O)[C@H](N=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C ZINC000587625495 FI Annotated Anodyne COC(=O)[C@@H](N=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C ZINC000587625498 FI Annotated Anodyne Cc1c(CNC(=O)CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625505 FI Annotated Reactive Cc1cc(Cl)cc2c(N)c(-c3ncn(Cc4ccccc4)c3N)[nH]c12 ZINC000587625962 FI Annotated Anodyne COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2Cn2cncn2)cc1 ZINC000587626153 FI Annotated Anodyne CC(=O)N(C(C)=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626243 FI Annotated Anodyne COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 ZINC000587626292 FI Annotated Anodyne CC(=O)Nc1ccc(O)c(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)c1 ZINC000587626405 FI Annotated Anodyne CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCOCC2)c(C)n1 ZINC000587626858 FI Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(C)cc(Cl)cc12 ZINC000587627016 FI Annotated Bother Cc1cc(Cl)cc2c(CC=O)c([C@H](C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587627094 FI Annotated Mild COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2c(C)cc(Cl)cc12 ZINC000587627377 FI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2c(C)cc(Cl)cc12 ZINC000587627378 FI Annotated Bother Cc1cc(Cl)cc2c(C#N)c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c12 ZINC000587627460 FI Annotated Mild CCn1ncc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCOCC2)c1C ZINC000587627474 FI Annotated Anodyne CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627511 FI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)CCC1=O ZINC000587627550 FI Annotated Anodyne Cc1c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cnn1C ZINC000587627909 FI Annotated Anodyne CCn1cc(Cl)c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)OC)n1 ZINC000587628228 FI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCN(C)CC1 ZINC000587628253 FI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1CCOCC1 ZINC000587628268 FI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCOCC1 ZINC000587628302 FI Annotated Anodyne Cc1c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cnn1C ZINC000587628415 FI Annotated Anodyne Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cnn1C ZINC000587628460 FI Annotated Anodyne Cn1ccnc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C#N ZINC000587628738 FI Annotated Mild COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(F)ccc1F ZINC000587628776 FI Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1c(F)cccc1F ZINC000587629050 FI Annotated Anodyne Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cnn1C ZINC000587629132 FI Annotated Anodyne CCn1cc(Cl)c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)OC)n1 ZINC000587629158 FI Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629262 FI Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629334 FI Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629380 FI Annotated Anodyne COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)cc1F ZINC000587629448 FI Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1c(F)cccc1F ZINC000587629493 FI Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629537 FI Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629638 FI Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629672 FI Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(F)ccc1F ZINC000587629679 FI Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 ZINC000587629812 FI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)F ZINC000587629834 FI Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629903 FI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)F ZINC000587629935 FI Annotated Anodyne CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(C#N)cc1 ZINC000587629956 FI Annotated Mild CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 ZINC000587630271 FI Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(C#N)cc1 ZINC000587630535 FI Annotated Mild CCOC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587630544 FI Annotated Mild CC(=O)Nc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)cc1 ZINC000587630757 FI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CC=O ZINC000587630773 FI Annotated Mild CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1NC(=O)OC(C)(C)C ZINC000587630800 FI Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2ccc(F)c(Cl)c2c1CCC=O ZINC000587630863 FI Annotated Mild C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CCCO ZINC000587630867 FI Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2ccc(F)c(Cl)c12 ZINC000587630912 FI Annotated Anodyne CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 ZINC000587631113 FI Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1NC(=O)OC(C)(C)C ZINC000587631162 FI Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cc(Cl)c(F)cc12 ZINC000587631223 FI Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2cc(Cl)c(F)cc2c1CCC=O ZINC000587631358 FI Annotated Mild CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631427 FI Annotated Anodyne Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2ccc(F)c(Cl)c12 ZINC000587631541 FI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CCCO ZINC000587631564 FI Annotated Anodyne COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631566 FI Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631567 FI Annotated Bother CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631576 FI Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CC=O ZINC000587631585 FI Annotated Mild COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2Cn2cncn2)cc1 ZINC000587631659 FI Annotated Anodyne CN1CCN(c2ccc(-c3[nH]c4cc(Cl)c(F)cc4c3C#N)cc2)CC1 ZINC000587631716 FI Annotated Mild CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631764 FI Annotated Anodyne COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587631877 FI Annotated Anodyne COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2Cn2cncn2)cc1 ZINC000587631987 FI Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000587632000 FI Annotated Anodyne O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cccc(F)c12 ZINC000587632063 FI Annotated Anodyne Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c12 ZINC000587632065 FI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCN1C(=O)c2ccccc2C1=O ZINC000587632104 FI Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCCN1C(=O)c2ccccc2C1=O ZINC000587632156 FI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCCN1C(=O)c2ccccc2C1=O ZINC000587632171 FI Annotated Anodyne CN1CCN(c2ccc(-c3[nH]c4ccc(F)c(Cl)c4c3C#N)cc2)CC1 ZINC000587632172 FI Annotated Mild Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cc(Cl)c(F)cc12 ZINC000587632376 FI Annotated Anodyne N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632386 FI Annotated Mild N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587632550 FI Annotated Mild O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2cccc(F)c12 ZINC000587632673 FI Annotated Anodyne O=C(O)CCc1[nH]c2cccc(F)c2c1CC(=O)c1ccc(Cl)cc1 ZINC000587632747 FI Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc(F)ccc12 ZINC000587632757 FI Annotated Reactive NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)CC1 ZINC000587632860 FI Annotated Anodyne O=C(NC1CC1)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1 ZINC000587632869 FI Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 ZINC000587632875 FI Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cccc(F)c12 ZINC000587632969 FI Annotated Reactive O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cc(F)ccc12 ZINC000587632977 FI Annotated Anodyne Fc1ccc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587633159 FI Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cccc(F)c12)C(F)(F)F ZINC000587633332 FI Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cccc(F)c12)C(F)(F)F ZINC000587633375 FI Annotated Anodyne CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc(F)c12 ZINC000587633421 FI Annotated Anodyne CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587633520 FI Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(F)ccc12)C(F)(F)F ZINC000587633565 FI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587634003 FI Annotated Anodyne CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587634097 FI Annotated Anodyne CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(F)ccc12 ZINC000587634100 FI Annotated Anodyne N#Cc1c(-c2cccc(I)c2)[nH]c2cccc(F)c12 ZINC000587634184 FI Annotated Mild O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587634216 FI Annotated Anodyne O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587634258 FI Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cc(F)ccc12)C(F)(F)F ZINC000587634265 FI Annotated Anodyne Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12 ZINC000587634480 FI Annotated Anodyne N#Cc1c(-c2cccc(I)c2)[nH]c2cc(F)ccc12 ZINC000587634502 FI Annotated Mild N#Cc1c(-c2ccccc2I)[nH]c2cc(F)ccc12 ZINC000587634639 FI Annotated Mild Oc1c(-c2ccc(I)cc2)[nH]c2cc(F)ccc12 ZINC000587634730 FI Annotated Anodyne N#Cc1c(-c2ccccc2I)[nH]c2cccc(F)c12 ZINC000587634781 FI Annotated Mild O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cc(F)ccc12 ZINC000587634846 FI Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cccc(F)c12 ZINC000587634922 FI Annotated Anodyne Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12 ZINC000587634957 FI Annotated Anodyne Oc1c(-c2ccc(I)cc2)[nH]c2cccc(F)c12 ZINC000587635403 FI Annotated Anodyne CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cccc(F)c12)c1ccccc1C ZINC000587635484 FI Annotated Anodyne N#Cc1c(-c2ccc(I)cc2)[nH]c2cc(F)ccc12 ZINC000587635708 FI Annotated Mild N#Cc1c(-c2ccc(I)cc2)[nH]c2cccc(F)c12 ZINC000587636074 FI Annotated Mild CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cc(F)ccc12)c1ccccc1C ZINC000587636120 FI Annotated Anodyne COC(=O)c1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 ZINC000587636635 FI Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4cc(F)ccc34)c(=O)c2c1 ZINC000587636874 FI Annotated Anodyne CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(F)ccc3c2C(=O)OCC)c1C ZINC000587636919 FI Annotated Anodyne Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587636974 FI Annotated Anodyne CCc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 ZINC000587637066 FI Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)s1 ZINC000587637074 FI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 ZINC000587637093 FI Annotated Anodyne CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637103 FI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587637211 FI Annotated Mild Nc1ccccc1C(=O)Oc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637458 FI Annotated Anodyne CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587637545 FI Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1Cl ZINC000587637593 FI Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637597 FI Annotated Mild COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637616 FI Annotated Anodyne O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637634 FI Annotated Reactive Nc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587637658 FI Annotated Anodyne CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637705 FI Annotated Mild O=C(c1ccco1)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637733 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637769 FI Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587637822 FI Annotated Anodyne COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637877 FI Annotated Anodyne N#Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cc1 ZINC000587637912 FI Annotated Mild Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(Br)cc1 ZINC000587637967 FI Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccc(F)c3)[nH]c12 ZINC000587638015 FI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)N(C)Cc1ccccc1Cl ZINC000587638039 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2c(C(=O)O)cccc12 ZINC000587638074 FI Annotated Anodyne COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cc1 ZINC000587638078 FI Annotated Anodyne Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C#N)c(C)n1CC(F)(F)F ZINC000587638309 FI Annotated Mild COc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)F ZINC000587638443 FI Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638453 FI Annotated Anodyne CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2c(C(=O)O)cccc12 ZINC000587638532 FI Annotated Anodyne Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c(C)o1 ZINC000587638594 FI Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(F)cc3)[nH]c12 ZINC000587638598 FI Annotated Anodyne O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638600 FI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2N/C1=C/Cl ZINC000587638807 FI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2N/C1=C\Cl ZINC000587638808 FI Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3F)[nH]c12 ZINC000587638873 FI Annotated Anodyne O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587639082 FI Annotated Anodyne Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)c(C)o1 ZINC000587639097 FI Annotated Anodyne O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587639156 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C[C@H](O)CC#N)c(C(=O)OC(C)(C)C)c2c1 ZINC000587640523 FI Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C[C@H](O)CC#N)c(C(=O)OC(C)(C)C)c2c1 ZINC000587640528 FI Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(N3CCOCC3)c2c1 ZINC000587641366 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(N3CCOCC3)c2c1 ZINC000587641369 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(CN3CCOCC3)c2c1 ZINC000587641520 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(CN3CCOCC3)c2c1 ZINC000587641522 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)c3ccnn3C)c2c1 ZINC000587642274 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)c3ccnn3C)c2c1 ZINC000587642278 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)C(=O)OC)c2c1 ZINC000587642360 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)C(=O)OC)c2c1 ZINC000587642366 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(CC(=O)OC)c(CNC(=O)OC(C)(C)C)c2c1 ZINC000587642552 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(CC(=O)OC)c(CNC(=O)OC(C)(C)C)c2c1 ZINC000587642553 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)c3cnn(C)c3)c2c1 ZINC000587642753 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)c3cnn(C)c3)c2c1 ZINC000587642755 FI Annotated Anodyne Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1 ZINC000587643223 FI Annotated Bother CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643265 FI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643268 FI Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccccn1 ZINC000587643272 FI Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccccn1 ZINC000587643276 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(C)nn(C)c3C)c2c1 ZINC000587643439 FI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(C)nn(C)c3C)c2c1 ZINC000587643443 FI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643562 FI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643564 FI Annotated Anodyne Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Br)cc1 ZINC000587643945 FI Annotated Bother CC[C@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(N3CCOCC3)c2c1 ZINC000587643994 FI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(N3CCOCC3)c2c1 ZINC000587643995 FI Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc([C@@H](C)CC)cc23)CC1 ZINC000587644004 FI Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3ccc([C@H](C)CC)cc23)CC1 ZINC000587644005 FI Annotated Anodyne Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1Br ZINC000587644138 FI Annotated Bother O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644262 FI Annotated Reactive Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Br)cc1 ZINC000587644300 FI Annotated Bother CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1cccnc1 ZINC000587644328 FI Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1cccnc1 ZINC000587644329 FI Annotated Anodyne Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1Br ZINC000587644337 FI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C\Cl ZINC000587644384 FI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C/Cl ZINC000587644385 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000587644457 FI Annotated Bother COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)ccc1Cl ZINC000587644696 FI Annotated Bother O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644735 FI Annotated Bother CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644756 FI Annotated Bother COc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F ZINC000587644767 FI Annotated Bother O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644768 FI Annotated Bother O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644831 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587644880 FI Annotated Bother CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644962 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587644994 FI Annotated Mild O=C(c1c(-c2ccc(O)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645024 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587645026 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587645027 FI Annotated Bother O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645046 FI Annotated Bother O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645048 FI Annotated Bother N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587645061 FI Annotated Mild COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)ccc1Cl ZINC000587645096 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C/Cl ZINC000587645140 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C\Cl ZINC000587645141 FI Annotated Bother O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645152 FI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645172 FI Annotated Mild O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645184 FI Annotated Bother CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c(C)n1 ZINC000587645235 FI Annotated Bother O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645244 FI Annotated Bother O=C(c1c(-c2ccc(O)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645264 FI Annotated Bother CCn1ncc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c1C ZINC000587645271 FI Annotated Bother COc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F ZINC000587645296 FI Annotated Bother O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645307 FI Annotated Bother CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c(C)n1 ZINC000587645319 FI Annotated Bother COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645349 FI Annotated Bother N#Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cc1 ZINC000587645426 FI Annotated Mild CCn1ncc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c1C ZINC000587645430 FI Annotated Bother COc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c1 ZINC000587645433 FI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587645478 FI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587645480 FI Annotated Bother N#Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cc1 ZINC000587645498 FI Annotated Mild N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587645507 FI Annotated Mild O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645622 FI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nc(C(F)(F)F)cc1C1CC1 ZINC000587645638 FI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1nc(C(F)(F)F)cc1C1CC1 ZINC000587645708 FI Annotated Bother COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645801 FI Annotated Bother CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646306 FI Annotated Bother CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646533 FI Annotated Bother CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646706 FI Annotated Bother CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647144 FI Annotated Bother CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccncc1 ZINC000587647152 FI Annotated Bother CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccncc1 ZINC000587647370 FI Annotated Bother CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587647441 FI Annotated Bother CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647496 FI Annotated Bother CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587647964 FI Annotated Bother Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648290 FI Annotated Bother Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587648317 FI Annotated Bother CCCCCc1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648415 FI Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)C1 ZINC000587648426 FI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)C1 ZINC000587648428 FI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)C1 ZINC000587648486 FI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)C1 ZINC000587648488 FI Annotated Mild CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc2ccccc2n1 ZINC000587648538 FI Annotated Bother CC(C)(C)OC(=O)N1CCC(c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)CC1 ZINC000587648741 FI Annotated Mild CCc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCOCC2)cc1 ZINC000587648742 FI Annotated Bother CCc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCOCC2)cc1 ZINC000587648784 FI Annotated Bother CS(=O)(=O)c1ccc2[nH]c(CBr)c(CC3CCCC3)c2c1 ZINC000587648902 FI Annotated Reactive Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)s1 ZINC000587648957 FI Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)F)c2c1 ZINC000587649220 FI Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c2c1 ZINC000587650128 FI Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3c[nH]c4cccc(Cl)c34)c(C#N)c2c1 ZINC000587650141 FI Annotated Mild Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)s1 ZINC000587650277 FI Annotated Anodyne CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650291 FI Annotated Anodyne Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C(F)(F)F)o1 ZINC000587650358 FI Annotated Mild Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(OC(F)F)cc1 ZINC000587650455 FI Annotated Anodyne COc1c(-c2cccc(Cl)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650518 FI Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650639 FI Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C3CC3)c(-c3ccccc3[N+](=O)[O-])c2c1 ZINC000587650995 FI Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587651059 FI Annotated Anodyne O=C(c1cccc(Cl)c1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651154 FI Annotated Anodyne O=C(c1c(Cl)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651231 FI Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651260 FI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587651301 FI Annotated Anodyne O=C(O)c1cc(Cl)c(-n2ncc3ccc(Cl)cc3c2=O)c(Cl)c1 ZINC000587651337 FI Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651393 FI Annotated Anodyne Cc1ccc(C(C)C)c(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651558 FI Annotated Anodyne CC(C)c1ccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651602 FI Annotated Anodyne CC(C)c1ccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651605 FI Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651611 FI Annotated Anodyne CC(C)c1ccccc1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651725 FI Annotated Anodyne CC(C)c1ccccc1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651726 FI Annotated Anodyne O=C(Cc1c(Cl)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651761 FI Annotated Anodyne O=C(c1cc(Cl)ccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651773 FI Annotated Anodyne O=C(c1cc2c(F)cccc2s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651817 FI Annotated Anodyne CC(C)(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651976 FI Annotated Anodyne O=C(c1ccc(OC2CCCC2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652020 FI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587652041 FI Annotated Anodyne O=C(CCSc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652096 FI Annotated Anodyne O=C(n1ncc2ccc(Cl)cc2c1=O)C1(c2ccc(Cl)cc2)CC1 ZINC000587652126 FI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)cc(Cl)n1 ZINC000587652140 FI Annotated Anodyne O=C(c1cc2cc(F)ccc2s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652173 FI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587652260 FI Annotated Anodyne CC[C@@H](C)c1ccccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652410 FI Annotated Anodyne CC[C@H](C)c1ccccc1OCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652411 FI Annotated Anodyne O=C(c1cc2cccc(F)c2s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652614 FI Annotated Anodyne O=C(c1cc2c(s1)CCCCC2)n1ncc2ccc(Cl)cc2c1=O ZINC000587653029 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Cl)ccn1 ZINC000587653119 FI Annotated Anodyne Cc1nc(C)c(-c2csc(-n3ncc4ccc(Cl)cc4c3=O)n2)s1 ZINC000587653166 FI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587653217 FI Annotated Anodyne CCCCn1c(-n2ncc3ccc(Cl)cc3c2=O)nc2ccccc21 ZINC000587653440 FI Annotated Anodyne CC(C)Oc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587653582 FI Annotated Anodyne O=C(c1cc2c(s1)CCCCCC2)n1ncc2ccc(Cl)cc2c1=O ZINC000587653807 FI Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)c(C)s1 ZINC000587653842 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1Cl ZINC000587653873 FI Annotated Anodyne CC(C)c1ccccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654081 FI Annotated Anodyne CCOc1cccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 ZINC000587654218 FI Annotated Anodyne O=C(CSc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654294 FI Annotated Anodyne Cc1ccc(Cl)cc1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654576 FI Annotated Anodyne Cc1c(Cl)cccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587655200 FI Annotated Anodyne CCc1cccc(C)c1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587655222 FI Annotated Anodyne CSc1cccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587655277 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncc1Cl ZINC000587655281 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(Cl)c1 ZINC000587655321 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000587655324 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(Cl)n1 ZINC000587655355 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)cn1 ZINC000587655401 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)nc1 ZINC000587655442 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1F ZINC000587655550 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000587655699 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(F)cc(F)n1 ZINC000587655765 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccc(O)c1 ZINC000587655898 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccnc1Cl ZINC000587655997 FI Annotated Anodyne O=C(C1CCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656540 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(Cl)ccn1 ZINC000587656703 FI Annotated Anodyne CC(C)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656841 FI Annotated Anodyne CC(C)(C)OC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656891 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(Cl)n1 ZINC000587656894 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccsc1 ZINC000587656947 FI Annotated Anodyne COc1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657029 FI Annotated Anodyne CC(C)(C)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657151 FI Annotated Anodyne O=C(c1ccsc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657196 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1Cl ZINC000587657198 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccncc1Cl ZINC000587657572 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccnc1Cl ZINC000587657871 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(Cl)c1 ZINC000587658125 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)ccc1F ZINC000587658132 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Cl)cc1F ZINC000587658155 FI Annotated Anodyne O=C(c1cccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658178 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)cc(F)c1 ZINC000587658278 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)nc1 ZINC000587658284 FI Annotated Anodyne O=C(c1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658336 FI Annotated Anodyne O=C(CCc1ccco1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658361 FI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccs1 ZINC000587658867 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)c1F ZINC000587659190 FI Annotated Anodyne Cc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659770 FI Annotated Anodyne O=C(CC1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659823 FI Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)o1 ZINC000587659874 FI Annotated Anodyne O=C(OCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660037 FI Annotated Anodyne O=C(C1CCCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660165 FI Annotated Anodyne Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)s1 ZINC000587660383 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cnc2ccccc2n1 ZINC000587660482 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccnc1C1CCC1 ZINC000587661098 FI Annotated Anodyne Cc1ccsc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661224 FI Annotated Anodyne O=C(Nc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661272 FI Annotated Anodyne O=C(Oc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661376 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc2ccccc2n1 ZINC000587661483 FI Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cs1 ZINC000587661734 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)c1ccccc1 ZINC000587661742 FI Annotated Anodyne CC(C)c1nccnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661905 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2ccccc12 ZINC000587662044 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2ccsc12 ZINC000587662640 FI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2sccc12 ZINC000587663121 FI Annotated Anodyne C=C(C)Cn1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587664133 FI Annotated Mild CCCCn1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587664146 FI Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587664199 FI Annotated Anodyne CCN(CC)c1ccc(-c2nn(CC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666036 FI Annotated Anodyne C=C(C)Cn1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587668384 FI Annotated Mild C[C@H](Br)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669079 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Br)N1 ZINC000587669083 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Br)N1 ZINC000587669085 FI Annotated Reactive C[C@H](Br)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669087 FI Annotated Reactive C/C=C(\Br)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669555 FI Annotated Anodyne C/C=C(\Br)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669558 FI Annotated Anodyne C/C=C(\Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669560 FI Annotated Anodyne C/C=C(\Br)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669562 FI Annotated Anodyne C/C=C(\Br)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671101 FI Annotated Anodyne C/C=C(\Br)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671229 FI Annotated Anodyne C/C=C(\Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671231 FI Annotated Anodyne C/C=C(\Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671232 FI Annotated Anodyne C[C@H](Br)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671591 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Br)N1 ZINC000587671592 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Br)N1 ZINC000587671593 FI Annotated Reactive C[C@H](Br)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671594 FI Annotated Reactive CC[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672713 FI Annotated Reactive CC[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672714 FI Annotated Reactive CC[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672716 FI Annotated Reactive CC[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672717 FI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCBr)N1 ZINC000587673469 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCBr)N1 ZINC000587673470 FI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCBr)N1 ZINC000587673471 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCBr)N1 ZINC000587673472 FI Annotated Reactive CC[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674291 FI Annotated Reactive CC[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674292 FI Annotated Reactive CC[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674293 FI Annotated Reactive CC[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674294 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCBr)N1 ZINC000587674687 FI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCBr)N1 ZINC000587674688 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCBr)N1 ZINC000587674689 FI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCBr)N1 ZINC000587674690 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCCl)N1 ZINC000587683430 FI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCCl)N1 ZINC000587683431 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCCl)N1 ZINC000587683432 FI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCCl)N1 ZINC000587683434 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCCl)N1 ZINC000587684700 FI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCCl)N1 ZINC000587684702 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCCl)N1 ZINC000587684704 FI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCCl)N1 ZINC000587684705 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\Cl)(CCl)N1 ZINC000587689710 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/Cl)(CCl)N1 ZINC000587689711 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/Cl)(CCl)N1 ZINC000587689712 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\Cl)(CCl)N1 ZINC000587689713 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\Cl)(CCl)N1 ZINC000587689838 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/Cl)(CCl)N1 ZINC000587689839 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\Cl)(CCl)N1 ZINC000587689840 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/Cl)(CCl)N1 ZINC000587689841 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2N)N1 ZINC000587691270 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2N)N1 ZINC000587691271 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2N)N1 ZINC000587691272 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2N)N1 ZINC000587691274 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2Cl)N1 ZINC000587691935 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2Cl)N1 ZINC000587692002 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2Cl)N1 ZINC000587692003 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2Cl)N1 ZINC000587692004 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Cl)N1 ZINC000587693089 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Cl)N1 ZINC000587693100 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Cl)N1 ZINC000587693101 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Cl)N1 ZINC000587693102 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2Cl)N1 ZINC000587693103 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2Cl)N1 ZINC000587693104 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnccc2Cl)N1 ZINC000587693105 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnccc2Cl)N1 ZINC000587693106 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N)N1 ZINC000587693433 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N)N1 ZINC000587693435 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N)N1 ZINC000587693436 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N)N1 ZINC000587693439 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2N)N1 ZINC000587693826 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2N)N1 ZINC000587693831 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2N)N1 ZINC000587693833 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2N)N1 ZINC000587693837 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N)c(Cl)c2)N1 ZINC000587694298 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N)c(Cl)c2)N1 ZINC000587694299 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N)c(Cl)c2)N1 ZINC000587694300 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N)c(Cl)c2)N1 ZINC000587694302 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2N)N1 ZINC000587694948 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2N)N1 ZINC000587694951 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2N)N1 ZINC000587694953 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2N)N1 ZINC000587694955 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2N)N1 ZINC000587695941 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2N)N1 ZINC000587695942 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2N)N1 ZINC000587695943 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2N)N1 ZINC000587695944 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccn2)N1 ZINC000587696169 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccn2)N1 ZINC000587696170 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccn2)N1 ZINC000587696171 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccn2)N1 ZINC000587696172 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N)c(Cl)c2)N1 ZINC000587696520 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N)c(Cl)c2)N1 ZINC000587696521 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N)c(Cl)c2)N1 ZINC000587696523 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N)c(Cl)c2)N1 ZINC000587696524 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2Cl)N1 ZINC000587696663 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2Cl)N1 ZINC000587696665 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnccc2Cl)N1 ZINC000587696667 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnccc2Cl)N1 ZINC000587696669 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccn2)N1 ZINC000587698690 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccn2)N1 ZINC000587698692 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccn2)N1 ZINC000587698695 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccn2)N1 ZINC000587698697 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2Cl)N1 ZINC000587698972 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2Cl)N1 ZINC000587698974 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2Cl)N1 ZINC000587698976 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2Cl)N1 ZINC000587698979 FI Annotated Anodyne CCn1ncc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699515 FI Annotated Anodyne CCn1ncc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699518 FI Annotated Anodyne CCn1ncc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699522 FI Annotated Anodyne CCn1ncc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699525 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccn2)N1 ZINC000587700105 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccn2)N1 ZINC000587700108 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccn2)N1 ZINC000587700111 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccn2)N1 ZINC000587700113 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccn2)N1 ZINC000587700115 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccn2)N1 ZINC000587700118 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccn2)N1 ZINC000587700121 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccn2)N1 ZINC000587700123 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=NCl)C=C2)N1 ZINC000587700990 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=NCl)C=C2)N1 ZINC000587700992 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Cl)N1 ZINC000587701243 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Cl)N1 ZINC000587701246 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Cl)N1 ZINC000587701250 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Cl)N1 ZINC000587701254 FI Annotated Anodyne CCn1ncc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701401 FI Annotated Anodyne CCn1ncc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701404 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl ZINC000587701665 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl ZINC000587701668 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl ZINC000587701672 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl ZINC000587701676 FI Annotated Reactive CCn1ncc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701679 FI Annotated Anodyne CCn1ncc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701682 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(Cl)c2)N1 ZINC000587702539 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(Cl)c2)N1 ZINC000587702542 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(Cl)c2)N1 ZINC000587702546 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(Cl)c2)N1 ZINC000587702549 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N)N1 ZINC000587702559 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N)N1 ZINC000587702561 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N)N1 ZINC000587702563 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N)N1 ZINC000587702566 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl ZINC000587702593 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl ZINC000587702595 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl ZINC000587702599 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl ZINC000587702603 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(F)(F)F)N1 ZINC000587702737 FI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(F)(F)F)N1 ZINC000587702779 FI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(F)(F)F)N1 ZINC000587702780 FI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(F)(F)F)N1 ZINC000587702782 FI Annotated Reactive CSC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703093 FI Annotated Anodyne CSC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703104 FI Annotated Anodyne CSC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703106 FI Annotated Anodyne CSC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703108 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(Cl)c2)N1 ZINC000587703272 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(Cl)c2)N1 ZINC000587703273 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(Cl)c2)N1 ZINC000587703275 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(Cl)c2)N1 ZINC000587703277 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C)C#N)(C(F)(F)F)N1 ZINC000587703904 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C)C#N)(C(F)(F)F)N1 ZINC000587703913 FI Annotated Mild C[C@H](C#N)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703914 FI Annotated Mild C[C@H](C#N)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703916 FI Annotated Mild CSC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704329 FI Annotated Anodyne CSC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704330 FI Annotated Anodyne CSC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704331 FI Annotated Anodyne CSC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704332 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C)C#N)(C(F)(F)F)N1 ZINC000587704337 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C)C#N)(C(F)(F)F)N1 ZINC000587704338 FI Annotated Mild C[C@H](C#N)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704339 FI Annotated Mild C[C@H](C#N)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704340 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2)N1 ZINC000587704878 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2)N1 ZINC000587704879 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2)N1 ZINC000587704881 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2)N1 ZINC000587704883 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nc2)N1 ZINC000587704898 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nc2)N1 ZINC000587704899 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nc2)N1 ZINC000587704900 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nc2)N1 ZINC000587704901 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=NCl)C=C2)N1 ZINC000587704910 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=NCl)C=C2)N1 ZINC000587704912 FI Annotated Mild CCn1cnc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705263 FI Annotated Anodyne CCn1cnc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705264 FI Annotated Anodyne CCn1cnc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705265 FI Annotated Anodyne CCn1cnc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705266 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2Cl)N1 ZINC000587705665 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2Cl)N1 ZINC000587705666 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Cl)N1 ZINC000587705667 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Cl)N1 ZINC000587705668 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Cl)N1 ZINC000587706357 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Cl)N1 ZINC000587706358 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Cl)N1 ZINC000587706359 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Cl)N1 ZINC000587706360 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2)N1 ZINC000587706603 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2)N1 ZINC000587706604 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2)N1 ZINC000587706605 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2)N1 ZINC000587706606 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)nc2)N1 ZINC000587706892 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)nc2)N1 ZINC000587706893 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)nc2)N1 ZINC000587706894 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)nc2)N1 ZINC000587706895 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nc2)N1 ZINC000587706960 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nc2)N1 ZINC000587706961 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nc2)N1 ZINC000587706962 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nc2)N1 ZINC000587706963 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Cl)N1 ZINC000587706964 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Cl)N1 ZINC000587706965 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Cl)N1 ZINC000587706966 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Cl)N1 ZINC000587706967 FI Annotated Anodyne CCn1cnc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707213 FI Annotated Anodyne CCn1cnc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707214 FI Annotated Anodyne CCn1cnc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707215 FI Annotated Anodyne CCn1cnc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707216 FI Annotated Anodyne CCN(/C=C(\F)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587707224 FI Annotated Anodyne CCN(/C=C(\F)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587707234 FI Annotated Anodyne CCN(/C=C(\F)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587707235 FI Annotated Anodyne CCN(/C=C(\F)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587707236 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(F)(F)F)N1 ZINC000587707700 FI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(F)(F)F)N1 ZINC000587707702 FI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(F)(F)F)N1 ZINC000587707703 FI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(F)(F)F)N1 ZINC000587707704 FI Annotated Reactive CCN(/C=C(\F)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587708098 FI Annotated Anodyne CCN(/C=C(\F)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587708099 FI Annotated Anodyne CCN(/C=C(\F)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587708100 FI Annotated Anodyne CCN(/C=C(\F)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587708102 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)F)N1 ZINC000587708153 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)F)N1 ZINC000587708164 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)F)N1 ZINC000587708167 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)F)N1 ZINC000587708173 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)F)N1 ZINC000587708551 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)F)N1 ZINC000587708552 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)F)N1 ZINC000587708553 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)F)N1 ZINC000587708554 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)nc2)N1 ZINC000587708682 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)nc2)N1 ZINC000587708683 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)nc2)N1 ZINC000587708684 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)nc2)N1 ZINC000587708685 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Cl)N1 ZINC000587708694 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Cl)N1 ZINC000587708695 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Cl)N1 ZINC000587708696 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Cl)N1 ZINC000587708697 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(F)c2F)N1 ZINC000587712811 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(F)c2F)N1 ZINC000587712822 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(F)c2F)N1 ZINC000587712825 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(F)c2F)N1 ZINC000587712828 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2O)N1 ZINC000587712829 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2O)N1 ZINC000587712832 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2O)N1 ZINC000587712835 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2O)N1 ZINC000587712838 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CF)(c2ccccc2)N1 ZINC000587712967 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CF)(c2ccccc2)N1 ZINC000587713008 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CF)(c2ccccc2)N1 ZINC000587713011 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CF)(c2ccccc2)N1 ZINC000587713014 FI Annotated Anodyne C#Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587713289 FI Annotated Mild C#Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587713302 FI Annotated Mild C#Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587713308 FI Annotated Mild C#Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587713310 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(O)c2F)N1 ZINC000587713469 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(O)c2F)N1 ZINC000587713470 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(O)c2F)N1 ZINC000587713471 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(O)c2F)N1 ZINC000587713472 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CF)n2)N1 ZINC000587714017 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CF)n2)N1 ZINC000587714018 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CF)n2)N1 ZINC000587714019 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CF)n2)N1 ZINC000587714020 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587714556 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587714583 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587714586 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587714589 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccnc2Cl)N1 ZINC000587714630 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccnc2Cl)N1 ZINC000587714664 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccnc2Cl)N1 ZINC000587714666 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccnc2Cl)N1 ZINC000587714668 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccnc2Cl)N1 ZINC000587714819 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccnc2Cl)N1 ZINC000587714822 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccnc2Cl)N1 ZINC000587714825 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccnc2Cl)N1 ZINC000587714827 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2O)N1 ZINC000587714837 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2O)N1 ZINC000587714848 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2O)N1 ZINC000587714849 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2O)N1 ZINC000587714850 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(F)c2F)N1 ZINC000587714970 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(F)c2F)N1 ZINC000587714972 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(F)c2F)N1 ZINC000587714975 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(F)c2F)N1 ZINC000587714978 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715108 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715110 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715113 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715116 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2O)N1 ZINC000587715291 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2O)N1 ZINC000587715292 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2O)N1 ZINC000587715293 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2O)N1 ZINC000587715294 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715514 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2F)N1 ZINC000587715516 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715517 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715519 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(F)c(F)c2)N1 ZINC000587715521 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2F)N1 ZINC000587715526 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2F)N1 ZINC000587715529 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2F)N1 ZINC000587715532 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2)N1 ZINC000587716036 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2)N1 ZINC000587716037 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2)N1 ZINC000587716039 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2)N1 ZINC000587716041 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2O)N1 ZINC000587716096 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C#N)c2)N1 ZINC000587716144 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C#N)c2)N1 ZINC000587716145 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C#N)c2)N1 ZINC000587716146 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C#N)c2)N1 ZINC000587716147 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2O)N1 ZINC000587716173 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2O)N1 ZINC000587716175 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2O)N1 ZINC000587716177 FI Annotated Clean C#Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587716191 FI Annotated Mild C#Cc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587716196 FI Annotated Mild C#Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587716199 FI Annotated Mild C#Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587716200 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2F)N1 ZINC000587716748 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2F)N1 ZINC000587716753 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(O)c2F)N1 ZINC000587716757 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(O)c2F)N1 ZINC000587716761 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2O)N1 ZINC000587716984 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2O)N1 ZINC000587716986 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2O)N1 ZINC000587716988 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2O)N1 ZINC000587716991 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(F)F)N1 ZINC000587717483 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(F)F)N1 ZINC000587717489 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(F)F)N1 ZINC000587717493 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(F)F)N1 ZINC000587717497 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2F)N1 ZINC000587717724 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2F)N1 ZINC000587717739 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2F)N1 ZINC000587717743 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2F)N1 ZINC000587717748 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2F)N1 ZINC000587717971 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2F)N1 ZINC000587717975 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2F)N1 ZINC000587717980 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2F)N1 ZINC000587717985 FI Annotated Anodyne COc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718044 FI Annotated Anodyne COc1cccc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718078 FI Annotated Anodyne COc1cccc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718082 FI Annotated Anodyne COc1cccc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718085 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587718343 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587718346 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587718350 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587718353 FI Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718576 FI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718580 FI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718583 FI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587718586 FI Annotated Anodyne COc1c(F)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718729 FI Annotated Anodyne COc1c(F)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718732 FI Annotated Anodyne COc1c(F)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718736 FI Annotated Anodyne COc1c(F)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718738 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(N)c2)N1 ZINC000587718822 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(N)c2)N1 ZINC000587718824 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(N)c2)N1 ZINC000587718826 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(N)c2)N1 ZINC000587718828 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(F)cc2F)N1 ZINC000587718850 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(F)cc2F)N1 ZINC000587718852 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(F)cc2F)N1 ZINC000587718855 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(F)cc2F)N1 ZINC000587718858 FI Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587719037 FI Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587719040 FI Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587719042 FI Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587719045 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2F)N1 ZINC000587719062 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2F)N1 ZINC000587719064 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2F)N1 ZINC000587719067 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2F)N1 ZINC000587719070 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2O)N1 ZINC000587719173 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2O)N1 ZINC000587719176 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2O)N1 ZINC000587719179 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2O)N1 ZINC000587719182 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2F)N1 ZINC000587719231 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2F)N1 ZINC000587719234 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2F)N1 ZINC000587719238 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2F)N1 ZINC000587719240 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(F)F)N1 ZINC000587719339 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(F)F)N1 ZINC000587719355 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(F)F)N1 ZINC000587719357 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(F)F)N1 ZINC000587719358 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2O)N1 ZINC000587719690 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2O)N1 ZINC000587719694 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2O)N1 ZINC000587719697 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2O)N1 ZINC000587719700 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2F)N1 ZINC000587719802 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2F)N1 ZINC000587719805 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2F)N1 ZINC000587719808 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2F)N1 ZINC000587719811 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2O)N1 ZINC000587720043 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2O)N1 ZINC000587720044 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2O)N1 ZINC000587720045 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2O)N1 ZINC000587720046 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(N)c2)N1 ZINC000587720067 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(N)c2)N1 ZINC000587720069 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(N)c2)N1 ZINC000587720071 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(N)c2)N1 ZINC000587720073 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(F)(F)C[C@H]2C#N)N1 ZINC000587720117 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(F)(F)C[C@@H]2C#N)N1 ZINC000587720120 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(F)(F)C[C@H]2C#N)N1 ZINC000587720123 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(F)(F)C[C@@H]2C#N)N1 ZINC000587720125 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cc(F)cc2F)N1 ZINC000587720138 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cc(F)cc2F)N1 ZINC000587720148 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cc(F)cc2F)N1 ZINC000587720152 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cc(F)cc2F)N1 ZINC000587720157 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(O)cc2F)N1 ZINC000587720160 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(O)cc2F)N1 ZINC000587720164 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(O)cc2F)N1 ZINC000587720166 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(O)cc2F)N1 ZINC000587720168 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2F)N1 ZINC000587720239 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2F)N1 ZINC000587720240 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2F)N1 ZINC000587720242 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2F)N1 ZINC000587720243 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccc2F)N1 ZINC000587720536 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccc2F)N1 ZINC000587720538 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccc2F)N1 ZINC000587720540 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccc2F)N1 ZINC000587720542 FI Annotated Mild COc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720662 FI Annotated Anodyne COc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720665 FI Annotated Anodyne COc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720668 FI Annotated Anodyne COc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720671 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(O)c2F)N1 ZINC000587720684 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(O)c2F)N1 ZINC000587720685 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(O)c2F)N1 ZINC000587720686 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(O)c2F)N1 ZINC000587720688 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2F)N1 ZINC000587720689 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2F)N1 ZINC000587720691 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2F)N1 ZINC000587720693 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2F)N1 ZINC000587720695 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2F)N1 ZINC000587720699 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2F)N1 ZINC000587720700 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2F)N1 ZINC000587720702 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2F)N1 ZINC000587720703 FI Annotated Anodyne CCO/C=C/[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720850 FI Annotated Anodyne CCO/C=C/[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720852 FI Annotated Anodyne CCO/C=C\[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720853 FI Annotated Anodyne CCO/C=C\[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720854 FI Annotated Anodyne C#Cc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720927 FI Annotated Mild C#Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720928 FI Annotated Mild C#Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720929 FI Annotated Mild C#Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587720930 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)cc2F)N1 ZINC000587720983 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)cc2F)N1 ZINC000587720984 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)cc2F)N1 ZINC000587720985 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)cc2F)N1 ZINC000587720986 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CF)n2)N1 ZINC000587721090 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CF)n2)N1 ZINC000587721091 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CF)n2)N1 ZINC000587721092 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CF)n2)N1 ZINC000587721093 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(F)cc2F)N1 ZINC000587721103 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(F)cc2F)N1 ZINC000587721106 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(F)cc2F)N1 ZINC000587721108 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(F)cc2F)N1 ZINC000587721111 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2F)N1 ZINC000587721164 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2F)N1 ZINC000587721166 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2F)N1 ZINC000587721167 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2F)N1 ZINC000587721168 FI Annotated Anodyne CCO/C=C\[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721357 FI Annotated Anodyne CCO/C=C/[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721358 FI Annotated Anodyne CCO/C=C\[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721359 FI Annotated Anodyne CCO/C=C/[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721360 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2F)N1 ZINC000587721423 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2F)N1 ZINC000587721424 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2F)N1 ZINC000587721425 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2F)N1 ZINC000587721426 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2F)N1 ZINC000587721451 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2F)N1 ZINC000587721452 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2F)N1 ZINC000587721453 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2F)N1 ZINC000587721454 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CF)(c2ccccc2)N1 ZINC000587721705 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CF)(c2ccccc2)N1 ZINC000587721708 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CF)(c2ccccc2)N1 ZINC000587721710 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CF)(c2ccccc2)N1 ZINC000587721712 FI Annotated Anodyne COc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587721918 FI Annotated Anodyne COc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587721919 FI Annotated Anodyne COc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587721920 FI Annotated Anodyne COc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587721921 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C#N)c2)N1 ZINC000587721942 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C#N)c2)N1 ZINC000587721943 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C#N)c2)N1 ZINC000587721944 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C#N)c2)N1 ZINC000587721945 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)cc2F)N1 ZINC000587721954 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)cc2F)N1 ZINC000587721955 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)cc2F)N1 ZINC000587721956 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)cc2F)N1 ZINC000587721957 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccc2F)N1 ZINC000587721974 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccc2F)N1 ZINC000587721975 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccc2F)N1 ZINC000587721976 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccc2F)N1 ZINC000587721977 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2O)N1 ZINC000587721998 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2O)N1 ZINC000587721999 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2O)N1 ZINC000587722000 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2O)N1 ZINC000587722001 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2F)N1 ZINC000587722094 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2F)N1 ZINC000587722095 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2F)N1 ZINC000587722096 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2F)N1 ZINC000587722098 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(F)(F)C[C@H]2C#N)N1 ZINC000587722099 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(F)(F)C[C@@H]2C#N)N1 ZINC000587722101 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(F)(F)C[C@H]2C#N)N1 ZINC000587722102 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(F)(F)C[C@@H]2C#N)N1 ZINC000587722104 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2O)N1 ZINC000587722166 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2O)N1 ZINC000587722167 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2O)N1 ZINC000587722168 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2O)N1 ZINC000587722169 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587722568 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587722569 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587722570 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)c(F)c2)N1 ZINC000587722571 FI Annotated Anodyne COc1c(F)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722584 FI Annotated Anodyne COc1c(F)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722585 FI Annotated Anodyne COc1c(F)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722586 FI Annotated Anodyne COc1c(F)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722587 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2O)N1 ZINC000587722588 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2O)N1 ZINC000587722589 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2O)N1 ZINC000587722590 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2O)N1 ZINC000587722591 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2)N1 ZINC000587722634 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2)N1 ZINC000587722635 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2)N1 ZINC000587722636 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2)N1 ZINC000587722637 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2F)N1 ZINC000587722738 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2F)N1 ZINC000587722741 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2F)N1 ZINC000587722744 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2F)N1 ZINC000587722746 FI Annotated Anodyne COc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722908 FI Annotated Anodyne COc1cccc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722909 FI Annotated Anodyne COc1cccc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722910 FI Annotated Anodyne COc1cccc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722911 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587722912 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587722913 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587722914 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CC(F)(F)C2)N1 ZINC000587722915 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)cccc2F)N1 ZINC000587722924 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)cccc2F)N1 ZINC000587722925 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)cccc2F)N1 ZINC000587722926 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)cccc2F)N1 ZINC000587722927 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)cccc2F)N1 ZINC000587722940 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)cccc2F)N1 ZINC000587722941 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)cccc2F)N1 ZINC000587722942 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)cccc2F)N1 ZINC000587722943 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(O)cc2F)N1 ZINC000587723120 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(O)cc2F)N1 ZINC000587723121 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(O)cc2F)N1 ZINC000587723122 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(O)cc2F)N1 ZINC000587723123 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cc(F)cc2F)N1 ZINC000587723136 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cc(F)cc2F)N1 ZINC000587723137 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cc(F)cc2F)N1 ZINC000587723138 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cc(F)cc2F)N1 ZINC000587723139 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2F)N1 ZINC000587723304 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2F)N1 ZINC000587723305 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(O)c2F)N1 ZINC000587723306 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(O)c2F)N1 ZINC000587723307 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2F)N1 ZINC000587723332 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2F)N1 ZINC000587723333 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2F)N1 ZINC000587723334 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2F)N1 ZINC000587723335 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587723562 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587723563 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587723564 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587723565 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(F)c2)N1 ZINC000587723582 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(F)c2)N1 ZINC000587723583 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(F)c2)N1 ZINC000587723584 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(F)c2)N1 ZINC000587723585 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2O)N1 ZINC000587723656 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2O)N1 ZINC000587723657 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2O)N1 ZINC000587723658 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2O)N1 ZINC000587723659 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2F)N1 ZINC000587723680 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2F)N1 ZINC000587723681 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2F)N1 ZINC000587723682 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2F)N1 ZINC000587723683 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cc2F)N1 ZINC000587724037 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cc2F)N1 ZINC000587724039 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cc2F)N1 ZINC000587724041 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cc2F)N1 ZINC000587724043 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2F)N1 ZINC000587724152 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2F)N1 ZINC000587724153 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2F)N1 ZINC000587724154 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2F)N1 ZINC000587724155 FI Annotated Anodyne C#Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724196 FI Annotated Mild C#Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724197 FI Annotated Mild C#Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724198 FI Annotated Mild C#Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724199 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(F)c2)N1 ZINC000587724392 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(F)c2)N1 ZINC000587724393 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(F)c2)N1 ZINC000587724394 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(F)c2)N1 ZINC000587724395 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(F)c2)N1 ZINC000587724500 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(F)c2)N1 ZINC000587724501 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(F)c2)N1 ZINC000587724502 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(F)c2)N1 ZINC000587724503 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2)N1 ZINC000587724620 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(F)c2)N1 ZINC000587724621 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2)N1 ZINC000587724622 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(F)c2)N1 ZINC000587724623 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2F)N1 ZINC000587725080 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2F)N1 ZINC000587725081 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2F)N1 ZINC000587725082 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2F)N1 ZINC000587725083 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cc2F)N1 ZINC000587725092 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cc2F)N1 ZINC000587725093 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cc2F)N1 ZINC000587725094 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cc2F)N1 ZINC000587725095 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2F)N1 ZINC000587725120 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2F)N1 ZINC000587725121 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2F)N1 ZINC000587725122 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2F)N1 ZINC000587725124 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2F)N1 ZINC000587725133 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2F)N1 ZINC000587725135 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2F)N1 ZINC000587725136 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2F)N1 ZINC000587725138 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2F)N1 ZINC000587725212 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2F)N1 ZINC000587725213 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2F)N1 ZINC000587725214 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2F)N1 ZINC000587725215 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)c(F)c2)N1 ZINC000587725312 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)c(F)c2)N1 ZINC000587725313 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)c(F)c2)N1 ZINC000587725314 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)c(F)c2)N1 ZINC000587725315 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2F)N1 ZINC000587725430 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2F)N1 ZINC000587725431 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2F)N1 ZINC000587725432 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2F)N1 ZINC000587725433 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2F)N1 ZINC000587725544 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2F)N1 ZINC000587725545 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2F)N1 ZINC000587725546 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2F)N1 ZINC000587725547 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cc2F)N1 ZINC000587725554 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cc2F)N1 ZINC000587725555 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cc2F)N1 ZINC000587725556 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cc2F)N1 ZINC000587725557 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)c(F)c2)N1 ZINC000587725578 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)c(F)c2)N1 ZINC000587725579 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)c(F)c2)N1 ZINC000587725580 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)c(F)c2)N1 ZINC000587725581 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2F)N1 ZINC000587725616 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2F)N1 ZINC000587725617 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2F)N1 ZINC000587725618 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2F)N1 ZINC000587725619 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2F)N1 ZINC000587725620 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Cl)c2F)N1 ZINC000587725621 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2F)N1 ZINC000587725622 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Cl)c2F)N1 ZINC000587725623 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2F)N1 ZINC000587725636 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2F)N1 ZINC000587725637 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2F)N1 ZINC000587725638 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2F)N1 ZINC000587725639 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2F)N1 ZINC000587725731 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2F)N1 ZINC000587725732 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2F)N1 ZINC000587725733 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2F)N1 ZINC000587725734 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725856 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725857 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725858 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725859 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2)N1 ZINC000587725864 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2)N1 ZINC000587725865 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2)N1 ZINC000587725866 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2)N1 ZINC000587725867 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2O)N1 ZINC000587725956 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2O)N1 ZINC000587725957 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2O)N1 ZINC000587725958 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2O)N1 ZINC000587725959 FI Annotated Clean COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726178 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726179 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726180 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726181 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)c(F)c2)N1 ZINC000587726259 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)c(F)c2)N1 ZINC000587726260 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)c(F)c2)N1 ZINC000587726262 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)c(F)c2)N1 ZINC000587726264 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccccc2F)N1 ZINC000587726280 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccccc2F)N1 ZINC000587726281 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccccc2F)N1 ZINC000587726282 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccccc2F)N1 ZINC000587726283 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2)N1 ZINC000587726400 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(F)c2)N1 ZINC000587726401 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2)N1 ZINC000587726402 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(F)c2)N1 ZINC000587726403 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2C#N)N1 ZINC000587726486 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2C#N)N1 ZINC000587726487 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2C#N)N1 ZINC000587726488 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2C#N)N1 ZINC000587726489 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccccc2F)N1 ZINC000587726522 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccccc2F)N1 ZINC000587726523 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccccc2F)N1 ZINC000587726524 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccccc2F)N1 ZINC000587726525 FI Annotated Mild Cc1cc(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587726526 FI Annotated Clean Cc1cc(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587726527 FI Annotated Clean Cc1cc(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587726528 FI Annotated Clean Cc1cc(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587726529 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2N)N1 ZINC000587726654 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2N)N1 ZINC000587726655 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2N)N1 ZINC000587726656 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2N)N1 ZINC000587726657 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2)N1 ZINC000587726691 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2)N1 ZINC000587726693 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2)N1 ZINC000587726695 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2)N1 ZINC000587726697 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(F)c2)N1 ZINC000587726699 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(F)c2)N1 ZINC000587726701 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(F)c2)N1 ZINC000587726703 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(F)c2)N1 ZINC000587726705 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2F)N1 ZINC000587726727 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2F)N1 ZINC000587726729 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2F)N1 ZINC000587726730 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2F)N1 ZINC000587726731 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587726749 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587726750 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587726751 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587726752 FI Annotated Anodyne C#Cc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726800 FI Annotated Mild C#Cc1ccc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726801 FI Annotated Mild C#Cc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726802 FI Annotated Mild C#Cc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587726803 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)c(F)c2)N1 ZINC000587726820 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)c(F)c2)N1 ZINC000587726821 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)c(F)c2)N1 ZINC000587726822 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)c(F)c2)N1 ZINC000587726823 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2F)N1 ZINC000587726885 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2F)N1 ZINC000587726888 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2F)N1 ZINC000587726890 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2F)N1 ZINC000587726891 FI Annotated Anodyne COc1cc(F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727068 FI Annotated Anodyne COc1cc(F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727070 FI Annotated Anodyne COc1cc(F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727072 FI Annotated Anodyne COc1cc(F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727074 FI Annotated Anodyne COc1cc(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727092 FI Annotated Anodyne COc1cc(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727094 FI Annotated Anodyne COc1cc(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727096 FI Annotated Anodyne COc1cc(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587727098 FI Annotated Anodyne COc1cc(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727118 FI Annotated Anodyne COc1cc(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727120 FI Annotated Anodyne COc1cc(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727122 FI Annotated Anodyne COc1cc(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727125 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(C#N)c2)N1 ZINC000587727156 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(C#N)c2)N1 ZINC000587727158 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(C#N)c2)N1 ZINC000587727160 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(C#N)c2)N1 ZINC000587727161 FI Annotated Mild COc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727162 FI Annotated Anodyne COc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727163 FI Annotated Anodyne COc1ccc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727164 FI Annotated Anodyne COc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727166 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2F)N1 ZINC000587727252 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2F)N1 ZINC000587727253 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2F)N1 ZINC000587727254 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2F)N1 ZINC000587727255 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccccc2F)N1 ZINC000587727276 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccccc2F)N1 ZINC000587727277 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccccc2F)N1 ZINC000587727278 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccccc2F)N1 ZINC000587727279 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cc2F)N1 ZINC000587727292 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cc2F)N1 ZINC000587727293 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cc2F)N1 ZINC000587727294 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cc2F)N1 ZINC000587727295 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2F)N1 ZINC000587727623 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Cl)c2F)N1 ZINC000587727625 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2F)N1 ZINC000587727627 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Cl)c2F)N1 ZINC000587727629 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2O)N1 ZINC000587727730 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2O)N1 ZINC000587727731 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2O)N1 ZINC000587727732 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2O)N1 ZINC000587727733 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2O)N1 ZINC000587728089 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2O)N1 ZINC000587728091 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2O)N1 ZINC000587728093 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2O)N1 ZINC000587728096 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)cc2)N1 ZINC000587728730 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)cc2)N1 ZINC000587728731 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)cc2)N1 ZINC000587728732 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)cc2)N1 ZINC000587728733 FI Annotated Mild Cc1cc(C#N)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728762 FI Annotated Mild Cc1cc(C#N)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728763 FI Annotated Mild Cc1cc(C#N)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728764 FI Annotated Mild Cc1cc(C#N)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728765 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2cccc(F)c2)N1 ZINC000587728776 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2cccc(F)c2)N1 ZINC000587728777 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2cccc(F)c2)N1 ZINC000587728778 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2cccc(F)c2)N1 ZINC000587728779 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2)N1 ZINC000587728801 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2)N1 ZINC000587728804 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2)N1 ZINC000587728806 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2)N1 ZINC000587728808 FI Annotated Anodyne Cc1ccccc1[C@@]1(C#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729023 FI Annotated Mild Cc1ccccc1[C@@]1(C#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729035 FI Annotated Mild Cc1ccccc1[C@]1(C#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729039 FI Annotated Mild Cc1ccccc1[C@]1(C#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729042 FI Annotated Mild Cc1ccc([C@@]2(C#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587729045 FI Annotated Mild Cc1ccc([C@@]2(C#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587729048 FI Annotated Mild Cc1ccc([C@]2(C#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587729052 FI Annotated Mild Cc1ccc([C@]2(C#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587729057 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2C#N)N1 ZINC000587729073 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2C#N)N1 ZINC000587729076 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2C#N)N1 ZINC000587729079 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2C#N)N1 ZINC000587729082 FI Annotated Mild C#Cc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729097 FI Annotated Mild C#Cc1ccc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729100 FI Annotated Mild C#Cc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729101 FI Annotated Mild C#Cc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729103 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(F)cc32)N1 ZINC000587729122 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(F)cc32)N1 ZINC000587729138 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(F)cc32)N1 ZINC000587729140 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(F)cc32)N1 ZINC000587729142 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C#N)c2ccccc2)N1 ZINC000587729206 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C#N)c2ccccc2)N1 ZINC000587729218 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C#N)c2ccccc2)N1 ZINC000587729220 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C#N)c2ccccc2)N1 ZINC000587729221 FI Annotated Mild CC[C@]1(c2ccc(F)cn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729286 FI Annotated Anodyne CC[C@@]1(c2ccc(F)cn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729287 FI Annotated Anodyne CC[C@]1(c2ccc(F)cn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729288 FI Annotated Anodyne CC[C@@]1(c2ccc(F)cn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729289 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccc(F)cc2)N1 ZINC000587729332 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccc(F)cc2)N1 ZINC000587729333 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccc(F)cc2)N1 ZINC000587729334 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccc(F)cc2)N1 ZINC000587729335 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(F)c2)N1 ZINC000587729435 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(F)c2)N1 ZINC000587729438 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(F)c2)N1 ZINC000587729440 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(F)c2)N1 ZINC000587729442 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C#N)c2)N1 ZINC000587729446 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C#N)c2)N1 ZINC000587729448 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C#N)c2)N1 ZINC000587729449 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C#N)c2)N1 ZINC000587729451 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2N)N1 ZINC000587729512 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2N)N1 ZINC000587729516 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2N)N1 ZINC000587729519 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2N)N1 ZINC000587729522 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccccc2F)N1 ZINC000587729613 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccccc2F)N1 ZINC000587729616 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccccc2F)N1 ZINC000587729618 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccccc2F)N1 ZINC000587729619 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2C#N)N1 ZINC000587730019 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2C#N)N1 ZINC000587730022 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2C#N)N1 ZINC000587730024 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2C#N)N1 ZINC000587730027 FI Annotated Mild COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587730143 FI Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587730146 FI Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587730147 FI Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587730149 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2)N1 ZINC000587730166 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2)N1 ZINC000587730168 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2)N1 ZINC000587730170 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2)N1 ZINC000587730171 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CCCC2)N1 ZINC000587730551 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CCCC2)N1 ZINC000587730557 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CCCC2)N1 ZINC000587730559 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CCCC2)N1 ZINC000587730560 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587730608 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587730609 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587730610 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587730611 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2F)N1 ZINC000587730701 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2F)N1 ZINC000587730702 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2F)N1 ZINC000587730703 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2F)N1 ZINC000587730704 FI Annotated Anodyne Cc1cc(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587730705 FI Annotated Clean Cc1cc(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587730706 FI Annotated Clean Cc1cc(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587730707 FI Annotated Clean Cc1cc(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587730709 FI Annotated Clean Cc1cc(C#N)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731056 FI Annotated Mild Cc1cc(C#N)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731058 FI Annotated Mild Cc1cc(C#N)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731060 FI Annotated Mild Cc1cc(C#N)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731062 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)ccc32)N1 ZINC000587731119 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)ccc32)N1 ZINC000587731120 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)ccc32)N1 ZINC000587731121 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)ccc32)N1 ZINC000587731122 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)cc2F)N1 ZINC000587731260 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)cc2F)N1 ZINC000587731261 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)cc2F)N1 ZINC000587731262 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)cc2F)N1 ZINC000587731263 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2F)N1 ZINC000587731284 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2F)N1 ZINC000587731285 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2F)N1 ZINC000587731286 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2F)N1 ZINC000587731287 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2C#N)N1 ZINC000587731293 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2C#N)N1 ZINC000587731294 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2C#N)N1 ZINC000587731296 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2C#N)N1 ZINC000587731298 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2cccc(F)c2)N1 ZINC000587731354 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2cccc(F)c2)N1 ZINC000587731356 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2cccc(F)c2)N1 ZINC000587731358 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2cccc(F)c2)N1 ZINC000587731360 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)cc2F)N1 ZINC000587731363 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)cc2F)N1 ZINC000587731364 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)cc2F)N1 ZINC000587731366 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)cc2F)N1 ZINC000587731367 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccc(F)cc2)N1 ZINC000587731439 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccc(F)cc2)N1 ZINC000587731440 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccc(F)cc2)N1 ZINC000587731441 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccc(F)cc2)N1 ZINC000587731442 FI Annotated Mild COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587731744 FI Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587731745 FI Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587731746 FI Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587731747 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2N)N1 ZINC000587731940 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2N)N1 ZINC000587731941 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2N)N1 ZINC000587731942 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2N)N1 ZINC000587731943 FI Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587731949 FI Annotated Mild Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587731951 FI Annotated Mild Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587731953 FI Annotated Mild Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587731955 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2)N1 ZINC000587732008 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(C#N)c2)N1 ZINC000587732011 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(C#N)c2)N1 ZINC000587732012 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(C#N)c2)N1 ZINC000587732013 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(C#N)c2)N1 ZINC000587732014 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2)N1 ZINC000587732020 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2)N1 ZINC000587732022 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2)N1 ZINC000587732023 FI Annotated Mild Cc1ccoc1[C@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732308 FI Annotated Mild Cc1ccoc1[C@@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732312 FI Annotated Mild Cc1ccoc1[C@@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732313 FI Annotated Mild Cc1ccoc1[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732314 FI Annotated Mild Cc1cccc([C@@]2(C#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732322 FI Annotated Mild Cc1cccc([C@@]2(C#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732323 FI Annotated Mild Cc1cccc([C@]2(C#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732324 FI Annotated Mild Cc1cccc([C@]2(C#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587732325 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2F)N1 ZINC000587732375 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2F)N1 ZINC000587732378 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2F)N1 ZINC000587732381 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2F)N1 ZINC000587732384 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cc2Cl)N1 ZINC000587732386 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cc2Cl)N1 ZINC000587732388 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cc2Cl)N1 ZINC000587732390 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cc2Cl)N1 ZINC000587732393 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)cc2)N1 ZINC000587732427 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)cc2)N1 ZINC000587732429 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)cc2)N1 ZINC000587732432 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)cc2)N1 ZINC000587732433 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2)N1 ZINC000587732519 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2O)N1 ZINC000587732521 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2)N1 ZINC000587732522 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2O)N1 ZINC000587732524 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2)N1 ZINC000587732525 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2)N1 ZINC000587732526 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2O)N1 ZINC000587732528 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2O)N1 ZINC000587732530 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccc(F)cc2)N1 ZINC000587732531 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccc(F)cc2)N1 ZINC000587732533 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccc(F)cc2)N1 ZINC000587732535 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccc(F)cc2)N1 ZINC000587732537 FI Annotated Mild Cc1ccccc1[C@@]1(C#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732724 FI Annotated Mild Cc1ccccc1[C@@]1(C#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732727 FI Annotated Mild Cc1ccccc1[C@]1(C#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732728 FI Annotated Mild Cc1ccccc1[C@]1(C#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732729 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C#N)N1 ZINC000587732788 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C#N)N1 ZINC000587732790 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C#N)N1 ZINC000587732793 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C#N)N1 ZINC000587732795 FI Annotated Mild Cc1ccc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587733083 FI Annotated Mild Cc1ccc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587733084 FI Annotated Mild Cc1ccc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587733099 FI Annotated Mild Cc1ccc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587733100 FI Annotated Mild Cc1ccc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587733142 FI Annotated Mild Cc1ccc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587733144 FI Annotated Mild Cc1ccc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587733145 FI Annotated Mild Cc1ccc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587733146 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2Cl)N1 ZINC000587733169 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2Cl)N1 ZINC000587733173 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2Cl)N1 ZINC000587733175 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2Cl)N1 ZINC000587733178 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC#N)(c2ccco2)N1 ZINC000587733598 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC#N)(c2ccco2)N1 ZINC000587733599 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC#N)(c2ccco2)N1 ZINC000587733600 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC#N)(c2ccco2)N1 ZINC000587733601 FI Annotated Mild COc1cc(F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733660 FI Annotated Anodyne COc1cc(F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733663 FI Annotated Anodyne COc1cc(F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733666 FI Annotated Anodyne COc1cc(F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733668 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2O)N1 ZINC000587733720 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2O)N1 ZINC000587733722 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2O)N1 ZINC000587733724 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2O)N1 ZINC000587733726 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(F)c2)N1 ZINC000587733817 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(F)c2)N1 ZINC000587733820 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(F)c2)N1 ZINC000587733844 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(F)c2)N1 ZINC000587733849 FI Annotated Anodyne Cc1cccc([C@@]2(C#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734161 FI Annotated Mild Cc1cccc([C@@]2(C#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734163 FI Annotated Mild Cc1cccc([C@]2(C#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734165 FI Annotated Mild Cc1cccc([C@]2(C#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587734167 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C#N)c2)N1 ZINC000587734225 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C#N)c2)N1 ZINC000587734226 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C#N)c2)N1 ZINC000587734228 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C#N)c2)N1 ZINC000587734230 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CCCC2)N1 ZINC000587734706 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CCCC2)N1 ZINC000587734710 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CCCC2)N1 ZINC000587734713 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CCCC2)N1 ZINC000587734715 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2N)N1 ZINC000587734727 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2N)N1 ZINC000587734729 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2N)N1 ZINC000587734732 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2N)N1 ZINC000587734734 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587734776 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587734778 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587734780 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2[C@@H](C#N)C2(C)C)N1 ZINC000587734782 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2O)N1 ZINC000587734807 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2O)N1 ZINC000587734808 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2O)N1 ZINC000587734809 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2O)N1 ZINC000587734810 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(F)cc32)N1 ZINC000587734893 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(F)cc32)N1 ZINC000587734894 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(F)cc32)N1 ZINC000587734895 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(F)cc32)N1 ZINC000587734896 FI Annotated Anodyne Cc1ccc([C@@]2(C#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734978 FI Annotated Mild Cc1ccc([C@@]2(C#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734979 FI Annotated Mild Cc1ccc([C@]2(C#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734980 FI Annotated Mild Cc1ccc([C@]2(C#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734981 FI Annotated Mild Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C#N ZINC000587735060 FI Annotated Mild Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C#N ZINC000587735062 FI Annotated Mild Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C#N ZINC000587735063 FI Annotated Mild Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C#N ZINC000587735065 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2O)N1 ZINC000587735167 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2O)N1 ZINC000587735168 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2O)N1 ZINC000587735169 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2O)N1 ZINC000587735170 FI Annotated Clean Cc1ccoc1[C@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735264 FI Annotated Mild Cc1ccoc1[C@@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735265 FI Annotated Mild Cc1ccoc1[C@@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735266 FI Annotated Mild Cc1ccoc1[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735267 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C#N)c2ccccc2)N1 ZINC000587735268 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C#N)c2ccccc2)N1 ZINC000587735269 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C#N)c2ccccc2)N1 ZINC000587735270 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C#N)c2ccccc2)N1 ZINC000587735271 FI Annotated Mild CC[C@@]1(c2ccc(F)cn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735394 FI Annotated Anodyne CC[C@]1(c2ccc(F)cn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735396 FI Annotated Anodyne CC[C@@]1(c2ccc(F)cn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735398 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C#N)N1 ZINC000587735399 FI Annotated Mild CC[C@]1(c2ccc(F)cn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735400 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C#N)N1 ZINC000587735408 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C#N)N1 ZINC000587735410 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C#N)N1 ZINC000587735413 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)ccc32)N1 ZINC000587735494 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)ccc32)N1 ZINC000587735495 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)ccc32)N1 ZINC000587735496 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)ccc32)N1 ZINC000587735497 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2O)N1 ZINC000587735559 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2O)N1 ZINC000587735560 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2O)N1 ZINC000587735561 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2O)N1 ZINC000587735562 FI Annotated Clean COc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735583 FI Annotated Anodyne COc1ccc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735584 FI Annotated Anodyne COc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735585 FI Annotated Anodyne COc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735586 FI Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587735659 FI Annotated Mild Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587735660 FI Annotated Mild Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587735661 FI Annotated Mild Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587735662 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccc(F)cc2)N1 ZINC000587735750 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccc(F)cc2)N1 ZINC000587735751 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccc(F)cc2)N1 ZINC000587735752 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccc(F)cc2)N1 ZINC000587735753 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C#N ZINC000587736038 FI Annotated Mild Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C#N ZINC000587736039 FI Annotated Mild Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C#N ZINC000587736041 FI Annotated Mild Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C#N ZINC000587736042 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC#N)(c2ccco2)N1 ZINC000587736070 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC#N)(c2ccco2)N1 ZINC000587736071 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC#N)(c2ccco2)N1 ZINC000587736073 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC#N)(c2ccco2)N1 ZINC000587736076 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cncc(F)c2)N1 ZINC000587736744 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cncc(F)c2)N1 ZINC000587736746 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cncc(F)c2)N1 ZINC000587736748 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cncc(F)c2)N1 ZINC000587736751 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cc2Cl)N1 ZINC000587736797 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cc2Cl)N1 ZINC000587736799 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cc2Cl)N1 ZINC000587736802 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cc2Cl)N1 ZINC000587736804 FI Annotated Anodyne Cc1nc(F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736840 FI Annotated Anodyne Cc1nc(F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736852 FI Annotated Anodyne Cc1nc(F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736854 FI Annotated Anodyne Cc1nc(F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736857 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cncc(F)c2)N1 ZINC000587737092 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cncc(F)c2)N1 ZINC000587737094 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cncc(F)c2)N1 ZINC000587737096 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cncc(F)c2)N1 ZINC000587737098 FI Annotated Anodyne Cc1nc(F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737260 FI Annotated Anodyne Cc1nc(F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737261 FI Annotated Anodyne Cc1nc(F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737262 FI Annotated Anodyne Cc1nc(F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737263 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2Cl)N1 ZINC000587737320 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2Cl)N1 ZINC000587737321 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2Cl)N1 ZINC000587737323 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2Cl)N1 ZINC000587737325 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(F)cc2C=O)N1 ZINC000587738004 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(F)cc2C=O)N1 ZINC000587738005 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(F)cc2C=O)N1 ZINC000587738006 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(F)cc2C=O)N1 ZINC000587738007 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2F)N1 ZINC000587738012 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2F)N1 ZINC000587738013 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2F)N1 ZINC000587738014 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2F)N1 ZINC000587738015 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2F)N1 ZINC000587738106 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2F)N1 ZINC000587738107 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2F)N1 ZINC000587738108 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2F)N1 ZINC000587738109 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(F)c32)N1 ZINC000587738220 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(F)c32)N1 ZINC000587738221 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(F)c32)N1 ZINC000587738222 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(F)c32)N1 ZINC000587738223 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(F)c32)N1 ZINC000587738268 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(F)c32)N1 ZINC000587738269 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(F)c32)N1 ZINC000587738270 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(F)c32)N1 ZINC000587738271 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1F ZINC000587738280 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1F ZINC000587738281 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1F ZINC000587738282 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1F ZINC000587738283 FI Annotated Anodyne Cc1cc(F)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738437 FI Annotated Anodyne Cc1cc(F)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738438 FI Annotated Anodyne Cc1cc(F)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738439 FI Annotated Anodyne Cc1cc(F)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738440 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)sc2C=O)N1 ZINC000587738469 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)sc2C=O)N1 ZINC000587738470 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)sc2C=O)N1 ZINC000587738471 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)sc2C=O)N1 ZINC000587738472 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN(C)C)N1 ZINC000587738543 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCN(C)C)N1 ZINC000587738552 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCN(C)C)N1 ZINC000587738553 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCN(C)C)N1 ZINC000587738555 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3[C@H]2C#N)N1 ZINC000587738596 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3[C@@H]2C#N)N1 ZINC000587738597 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3[C@H]2C#N)N1 ZINC000587738598 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3[C@@H]2C#N)N1 ZINC000587738599 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)sc2C=O)N1 ZINC000587738639 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)sc2C=O)N1 ZINC000587738640 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)sc2C=O)N1 ZINC000587738642 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)sc2C=O)N1 ZINC000587738644 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(C#N)c32)N1 ZINC000587738720 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(C#N)c32)N1 ZINC000587738724 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(C#N)c32)N1 ZINC000587738727 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(C#N)c32)N1 ZINC000587738729 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ncc2Cl)N1 ZINC000587738816 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ncc2Cl)N1 ZINC000587738817 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ncc2Cl)N1 ZINC000587738818 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ncc2Cl)N1 ZINC000587738819 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ncc2Cl)N1 ZINC000587738875 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ncc2Cl)N1 ZINC000587738876 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ncc2Cl)N1 ZINC000587738877 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ncc2Cl)N1 ZINC000587738878 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3[C@@H]2C#N)N1 ZINC000587738891 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3[C@H]2C#N)N1 ZINC000587738893 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3[C@H]2C#N)N1 ZINC000587738896 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3[C@@H]2C#N)N1 ZINC000587738898 FI Annotated Mild CC(C)N(C)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738932 FI Annotated Anodyne CC(C)N(C)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738933 FI Annotated Anodyne CC(C)N(C)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738934 FI Annotated Anodyne CC(C)N(C)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738935 FI Annotated Anodyne CCN(CC)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738972 FI Annotated Anodyne CCN(CC)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738973 FI Annotated Anodyne CCN(CC)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738974 FI Annotated Anodyne CCN(CC)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738975 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(F)cc2C=O)N1 ZINC000587739022 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(F)cc2C=O)N1 ZINC000587739023 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(F)cc2C=O)N1 ZINC000587739024 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(F)cc2C=O)N1 ZINC000587739025 FI Annotated Anodyne Cc1cc(F)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739034 FI Annotated Anodyne Cc1cc(F)ncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739035 FI Annotated Anodyne Cc1cc(F)ncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739036 FI Annotated Anodyne Cc1cc(F)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739037 FI Annotated Anodyne CCN(CC)CCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739198 FI Annotated Anodyne CCN(CC)CCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739199 FI Annotated Anodyne CCN(CC)CCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739200 FI Annotated Anodyne CCN(CC)CCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739201 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(CN(C)C)CCCC2)N1 ZINC000587739419 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(CN(C)C)CCCC2)N1 ZINC000587739433 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(CN(C)C)CCCC2)N1 ZINC000587739434 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(CN(C)C)CCCC2)N1 ZINC000587739435 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cnc2F)N1 ZINC000587739770 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cnc2F)N1 ZINC000587739771 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cnc2F)N1 ZINC000587739772 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cnc2F)N1 ZINC000587739773 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1F ZINC000587739815 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1F ZINC000587739816 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1F ZINC000587739817 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1F ZINC000587739818 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(CN(C)C)CCCC2)N1 ZINC000587739953 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(CN(C)C)CCCC2)N1 ZINC000587739954 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(CN(C)C)CCCC2)N1 ZINC000587739955 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(CN(C)C)CCCC2)N1 ZINC000587739956 FI Annotated Anodyne CNc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740002 FI Annotated Anodyne CNc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740003 FI Annotated Anodyne CNc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740004 FI Annotated Anodyne CNc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740005 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587740304 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587740306 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587740307 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(C(C)(C)C)N1 ZINC000587740309 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(C(C)(C)C)N1 ZINC000587740311 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587740313 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N ZINC000587740394 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N ZINC000587740398 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N ZINC000587740399 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N ZINC000587740400 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN(C)C)N1 ZINC000587740436 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCN(C)C)N1 ZINC000587740438 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCN(C)C)N1 ZINC000587740441 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCN(C)C)N1 ZINC000587740443 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)cccc32)N1 ZINC000587740517 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)cccc32)N1 ZINC000587740518 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)cccc32)N1 ZINC000587740519 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)cccc32)N1 ZINC000587740520 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cnc2F)N1 ZINC000587740533 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cnc2F)N1 ZINC000587740534 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cnc2F)N1 ZINC000587740535 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cnc2F)N1 ZINC000587740536 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)cccc32)N1 ZINC000587740557 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)cccc32)N1 ZINC000587740558 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)cccc32)N1 ZINC000587740559 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)cccc32)N1 ZINC000587740560 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(C#N)c32)N1 ZINC000587741038 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(C#N)c32)N1 ZINC000587741040 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(C#N)c32)N1 ZINC000587741044 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(C#N)c32)N1 ZINC000587741046 FI Annotated Mild CNc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741430 FI Annotated Anodyne CNc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741432 FI Annotated Anodyne CNc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741434 FI Annotated Anodyne CNc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741436 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN=O)(c2ccccc2)N1 ZINC000587741511 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN=O)(c2ccccc2)N1 ZINC000587741512 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN=O)(c2ccccc2)N1 ZINC000587741515 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN=O)(c2ccccc2)N1 ZINC000587741517 FI Annotated Anodyne CCN(CC)CCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741649 FI Annotated Anodyne CCN(CC)CCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741652 FI Annotated Anodyne CCN(CC)CCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741655 FI Annotated Anodyne CCN(CC)CCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741658 FI Annotated Anodyne CCN(CC)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741766 FI Annotated Anodyne CCN(CC)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741768 FI Annotated Anodyne CCN(CC)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741770 FI Annotated Anodyne CCN(CC)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741772 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(C#N)cc32)N1 ZINC000587741774 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(C#N)cc32)N1 ZINC000587741776 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(C#N)cc32)N1 ZINC000587741778 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(C#N)cc32)N1 ZINC000587741780 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587742153 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587742156 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587742159 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C(C)(C)C)N1 ZINC000587742161 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(C(C)(C)C)N1 ZINC000587742163 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(C(C)(C)C)N1 ZINC000587742165 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(C#N)cc32)N1 ZINC000587742350 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(C#N)cc32)N1 ZINC000587742357 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(C#N)cc32)N1 ZINC000587742359 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(C#N)cc32)N1 ZINC000587742361 FI Annotated Mild CC(C)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742472 FI Annotated Anodyne CC(C)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742479 FI Annotated Anodyne CC(C)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742480 FI Annotated Anodyne CC(C)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742482 FI Annotated Anodyne CNc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742690 FI Annotated Anodyne CNc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742692 FI Annotated Anodyne CNc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742693 FI Annotated Anodyne CNc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742695 FI Annotated Anodyne CC(C)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742820 FI Annotated Anodyne CC(C)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742821 FI Annotated Anodyne CC(C)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742822 FI Annotated Anodyne CC(C)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742823 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742914 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742921 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742922 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742923 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(C#N)cccc32)N1 ZINC000587742938 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(C#N)cccc32)N1 ZINC000587742941 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(C#N)cccc32)N1 ZINC000587742942 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(C#N)cccc32)N1 ZINC000587742943 FI Annotated Mild CNc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743006 FI Annotated Anodyne CNc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743008 FI Annotated Anodyne CNc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743010 FI Annotated Anodyne CNc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743011 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN=O)(c2ccccc2)N1 ZINC000587743171 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN=O)(c2ccccc2)N1 ZINC000587743172 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN=O)(c2ccccc2)N1 ZINC000587743173 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN=O)(c2ccccc2)N1 ZINC000587743174 FI Annotated Anodyne CC(C)N(C)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743760 FI Annotated Anodyne CC(C)N(C)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743762 FI Annotated Anodyne CC(C)N(C)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743763 FI Annotated Anodyne CC(C)N(C)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743765 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(C#N)ccc32)N1 ZINC000587743836 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(C#N)ccc32)N1 ZINC000587743837 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(C#N)ccc32)N1 ZINC000587743838 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(C#N)ccc32)N1 ZINC000587743840 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(C#N)ccc32)N1 ZINC000587744427 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(C#N)ccc32)N1 ZINC000587744428 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(C#N)ccc32)N1 ZINC000587744429 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(C#N)ccc32)N1 ZINC000587744430 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(C#N)cccc32)N1 ZINC000587744443 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(C#N)cccc32)N1 ZINC000587744444 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(C#N)cccc32)N1 ZINC000587744445 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(C#N)cccc32)N1 ZINC000587744446 FI Annotated Mild CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744566 FI Annotated Bother CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744567 FI Annotated Bother CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744568 FI Annotated Bother CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744569 FI Annotated Bother CNc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745940 FI Annotated Anodyne CNc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745941 FI Annotated Anodyne CNc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745943 FI Annotated Anodyne CNc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587745945 FI Annotated Anodyne CNc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745954 FI Annotated Anodyne CNc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745955 FI Annotated Anodyne CNc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745956 FI Annotated Anodyne CNc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745957 FI Annotated Anodyne CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746035 FI Annotated Bother CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746036 FI Annotated Bother CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746037 FI Annotated Bother CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746038 FI Annotated Bother Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587746597 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587746598 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587746599 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587746600 FI Annotated Anodyne CC/C(C)=C(\N)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746762 FI Annotated Anodyne CC/C(C)=C(/N)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746764 FI Annotated Anodyne CC/C(C)=C(/N)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746765 FI Annotated Anodyne CC/C(C)=C(\N)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746767 FI Annotated Anodyne CC[C@]1(c2cccc(N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747044 FI Annotated Anodyne CC[C@]1(c2cccc(N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747045 FI Annotated Anodyne CC[C@@]1(c2cccc(N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747046 FI Annotated Anodyne CC[C@@]1(c2cccc(N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747047 FI Annotated Anodyne Cc1cc(N)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747901 FI Annotated Anodyne Cc1cc(N)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747903 FI Annotated Anodyne Cc1cc(N)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747905 FI Annotated Anodyne Cc1cc(N)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747906 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748194 FI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748195 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748196 FI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748197 FI Annotated Bother Cc1cc(N)cc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748238 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748240 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748242 FI Annotated Anodyne Cc1cc(N)cc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748243 FI Annotated Anodyne CC[C@]1(c2cccc(N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748354 FI Annotated Anodyne CC[C@]1(c2cccc(N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748355 FI Annotated Anodyne CC[C@@]1(c2cccc(N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748356 FI Annotated Anodyne CC[C@@]1(c2cccc(N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748357 FI Annotated Anodyne Cc1cc(N)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748483 FI Annotated Anodyne Cc1cc(N)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748484 FI Annotated Anodyne Cc1cc(N)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748485 FI Annotated Anodyne Cc1cc(N)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748486 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748825 FI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748827 FI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748828 FI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000587748830 FI Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C ZINC000587748928 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C ZINC000587748929 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C ZINC000587748930 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C ZINC000587748931 FI Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C ZINC000587748952 FI Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C ZINC000587748953 FI Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C ZINC000587748954 FI Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(C)c1C ZINC000587748955 FI Annotated Anodyne CC/C(C)=C(/N)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749180 FI Annotated Anodyne CC/C(C)=C(\N)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749184 FI Annotated Anodyne CC/C(C)=C(\N)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749186 FI Annotated Anodyne CC/C(C)=C(/N)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749188 FI Annotated Anodyne Cc1cccc(N)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750044 FI Annotated Anodyne Cc1cccc(N)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750046 FI Annotated Anodyne Cc1cccc(N)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750047 FI Annotated Anodyne Cc1cccc(N)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750048 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587750621 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587750627 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587750632 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587750635 FI Annotated Anodyne Cc1cccc(N)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750833 FI Annotated Anodyne Cc1cccc(N)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750835 FI Annotated Anodyne Cc1cccc(N)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750837 FI Annotated Anodyne Cc1cccc(N)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750840 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N ZINC000587751640 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N ZINC000587751645 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N ZINC000587751649 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N ZINC000587751656 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2)N1 ZINC000587752624 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2)N1 ZINC000587752627 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2)N1 ZINC000587752629 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2)N1 ZINC000587752632 FI Annotated Clean CCCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752758 FI Annotated Anodyne CCCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752762 FI Annotated Anodyne CCCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752763 FI Annotated Anodyne CCCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752764 FI Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C ZINC000587753729 FI Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C ZINC000587753732 FI Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C ZINC000587753734 FI Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(C)c1C ZINC000587753737 FI Annotated Anodyne CCCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753809 FI Annotated Anodyne CCCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753810 FI Annotated Anodyne CCCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753811 FI Annotated Anodyne CCCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753812 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncn(C)c3c2)N1 ZINC000587753987 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncn(C)c3c2)N1 ZINC000587753997 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncn(C)c3c2)N1 ZINC000587754000 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncn(C)c3c2)N1 ZINC000587754003 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2C)N1 ZINC000587754130 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2C)N1 ZINC000587754131 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2C)N1 ZINC000587754133 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2C)N1 ZINC000587754135 FI Annotated Anodyne CCn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754195 FI Annotated Anodyne CCn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754196 FI Annotated Anodyne CCn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754197 FI Annotated Anodyne CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754198 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C ZINC000587754366 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C ZINC000587754368 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C ZINC000587754370 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C ZINC000587754372 FI Annotated Anodyne CCn1cccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754738 FI Annotated Anodyne CCn1cccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754739 FI Annotated Anodyne CCn1cccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754741 FI Annotated Anodyne CCn1cccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754743 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N(C)C)N1 ZINC000587755030 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N(C)C)N1 ZINC000587755032 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N(C)C)N1 ZINC000587755033 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N(C)C)N1 ZINC000587755035 FI Annotated Anodyne CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755205 FI Annotated Anodyne CCn1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755206 FI Annotated Anodyne CCn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755207 FI Annotated Anodyne CCn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755208 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)ncn3C)N1 ZINC000587755261 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)ncn3C)N1 ZINC000587755262 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)ncn3C)N1 ZINC000587755263 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)ncn3C)N1 ZINC000587755264 FI Annotated Anodyne CCn1c(C)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755315 FI Annotated Anodyne CCn1c(C)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755316 FI Annotated Anodyne CCn1c(C)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755317 FI Annotated Anodyne CCn1c(C)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755318 FI Annotated Anodyne CCCCn1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755319 FI Annotated Anodyne CCCCn1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755320 FI Annotated Anodyne CCCCn1ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755321 FI Annotated Anodyne CCCCn1ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755322 FI Annotated Anodyne CC[C@H](C)n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587755590 FI Annotated Anodyne CC[C@H](C)n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587755591 FI Annotated Anodyne CC[C@H](C)n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587755592 FI Annotated Anodyne CC[C@H](C)n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587755593 FI Annotated Anodyne CCn1cccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755741 FI Annotated Anodyne CCn1cccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755743 FI Annotated Anodyne CCn1cccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755744 FI Annotated Anodyne CCn1cccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755746 FI Annotated Anodyne CCn1c(C)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755792 FI Annotated Anodyne CCn1c(C)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755793 FI Annotated Anodyne CCn1c(C)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755795 FI Annotated Anodyne CCn1c(C)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755797 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2cnn3C)N1 ZINC000587755917 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2cnn3C)N1 ZINC000587755918 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2cnn3C)N1 ZINC000587755919 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2cnn3C)N1 ZINC000587755920 FI Annotated Anodyne CC(C)Cn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756290 FI Annotated Anodyne CC(C)Cn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756291 FI Annotated Anodyne CC(C)Cn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756292 FI Annotated Anodyne CC(C)Cn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756293 FI Annotated Anodyne CC(C)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587756294 FI Annotated Anodyne CC(C)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587756295 FI Annotated Anodyne CC(C)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587756296 FI Annotated Anodyne CC(C)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587756297 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nn(C)cc3c2)N1 ZINC000587756403 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nn(C)cc3c2)N1 ZINC000587756404 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nn(C)cc3c2)N1 ZINC000587756406 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nn(C)cc3c2)N1 ZINC000587756408 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2)N1 ZINC000587756615 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2)N1 ZINC000587756616 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2)N1 ZINC000587756617 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2)N1 ZINC000587756618 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N(C)C)N1 ZINC000587756919 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N(C)C)N1 ZINC000587756921 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N(C)C)N1 ZINC000587756923 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N(C)C)N1 ZINC000587756925 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ncccc23)N1 ZINC000587757088 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ncccc23)N1 ZINC000587757089 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ncccc23)N1 ZINC000587757090 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ncccc23)N1 ZINC000587757091 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cn(C)nc23)N1 ZINC000587757208 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cn(C)nc23)N1 ZINC000587757210 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cn(C)nc23)N1 ZINC000587757211 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cn(C)nc23)N1 ZINC000587757212 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(cnn3C)c2)N1 ZINC000587757232 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(cnn3C)c2)N1 ZINC000587757233 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(cnn3C)c2)N1 ZINC000587757234 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(cnn3C)c2)N1 ZINC000587757235 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cn(C)nc3c2)N1 ZINC000587757305 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cn(C)nc3c2)N1 ZINC000587757306 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cn(C)nc3c2)N1 ZINC000587757308 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cn(C)nc3c2)N1 ZINC000587757309 FI Annotated Anodyne CCCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757374 FI Annotated Anodyne CCCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757375 FI Annotated Anodyne CCCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757376 FI Annotated Anodyne CCCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757378 FI Annotated Anodyne CC(C)Cn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757887 FI Annotated Anodyne CC(C)Cn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757890 FI Annotated Anodyne CC(C)Cn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757893 FI Annotated Anodyne CC(C)Cn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757896 FI Annotated Anodyne CCCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587757988 FI Annotated Anodyne CCCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587757990 FI Annotated Anodyne CCCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587757991 FI Annotated Anodyne CCCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587757993 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cn(C)nc3c2)N1 ZINC000587758261 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cn(C)nc3c2)N1 ZINC000587758262 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cn(C)nc3c2)N1 ZINC000587758264 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cn(C)nc3c2)N1 ZINC000587758266 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758336 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758338 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758339 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758341 FI Annotated Anodyne CCCCn1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758456 FI Annotated Anodyne CCCCn1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758458 FI Annotated Anodyne CCCCn1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758459 FI Annotated Anodyne CCCCn1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758460 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2ccn3C)N1 ZINC000587758599 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2ccn3C)N1 ZINC000587758604 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2ccn3C)N1 ZINC000587758606 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2ccn3C)N1 ZINC000587758608 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnn(C)c3c2)N1 ZINC000587759350 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnn(C)c3c2)N1 ZINC000587759351 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnn(C)c3c2)N1 ZINC000587759352 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnn(C)c3c2)N1 ZINC000587759353 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncn(C)c3c2)N1 ZINC000587759490 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncn(C)c3c2)N1 ZINC000587759492 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncn(C)c3c2)N1 ZINC000587759494 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncn(C)c3c2)N1 ZINC000587759496 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ncccc23)N1 ZINC000587759498 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ncccc23)N1 ZINC000587759500 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ncccc23)N1 ZINC000587759502 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ncccc23)N1 ZINC000587759504 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587760044 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587760046 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587760048 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587760050 FI Annotated Anodyne CCCCn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760070 FI Annotated Anodyne CCCCn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760072 FI Annotated Anodyne CCCCn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760073 FI Annotated Anodyne CCCCn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760075 FI Annotated Anodyne CC[C@H](C)n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760090 FI Annotated Anodyne CC[C@H](C)n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760092 FI Annotated Anodyne CC[C@H](C)n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760093 FI Annotated Anodyne CC[C@H](C)n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760095 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2ccn3C)N1 ZINC000587760122 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2ccn3C)N1 ZINC000587760123 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2ccn3C)N1 ZINC000587760124 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2ccn3C)N1 ZINC000587760125 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCC[C@@H](C)C2)N1 ZINC000587760138 FI Annotated Anodyne C[C@@H]1CCCN(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587760139 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCC[C@@H](C)C2)N1 ZINC000587760140 FI Annotated Anodyne C[C@@H]1CCCN(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587760141 FI Annotated Anodyne CCCCn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760270 FI Annotated Anodyne CCCCn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760271 FI Annotated Anodyne CCCCn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760272 FI Annotated Anodyne CCCCn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760273 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnn(C)c3c2)N1 ZINC000587760364 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnn(C)c3c2)N1 ZINC000587760366 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnn(C)c3c2)N1 ZINC000587760368 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnn(C)c3c2)N1 ZINC000587760370 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCC[C@@H](C)C2)N1 ZINC000587760475 FI Annotated Anodyne C[C@@H]1CCCN(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587760477 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCC[C@@H](C)C2)N1 ZINC000587760478 FI Annotated Anodyne C[C@@H]1CCCN(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587760479 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)ncn3C)N1 ZINC000587760572 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)ncn3C)N1 ZINC000587760573 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)ncn3C)N1 ZINC000587760574 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)ncn3C)N1 ZINC000587760575 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2C)N1 ZINC000587760605 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2C)N1 ZINC000587760607 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2C)N1 ZINC000587760608 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2C)N1 ZINC000587760609 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(cnn3C)c2)N1 ZINC000587760747 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(cnn3C)c2)N1 ZINC000587760749 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(cnn3C)c2)N1 ZINC000587760751 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(cnn3C)c2)N1 ZINC000587760753 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nn(C)cc3c2)N1 ZINC000587760919 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nn(C)cc3c2)N1 ZINC000587760920 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nn(C)cc3c2)N1 ZINC000587760921 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nn(C)cc3c2)N1 ZINC000587760922 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2cnn3C)N1 ZINC000587760963 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2cnn3C)N1 ZINC000587760964 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2cnn3C)N1 ZINC000587760965 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2cnn3C)N1 ZINC000587760966 FI Annotated Anodyne CC(C)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760971 FI Annotated Anodyne CC(C)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760972 FI Annotated Anodyne CC(C)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760973 FI Annotated Anodyne CC(C)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587760974 FI Annotated Anodyne C[C@H]1CCCCN1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761075 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCC[C@H]2C)N1 ZINC000587761076 FI Annotated Anodyne C[C@H]1CCCCN1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761077 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCC[C@H]2C)N1 ZINC000587761078 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nn(C)cc23)N1 ZINC000587761195 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nn(C)cc23)N1 ZINC000587761196 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nn(C)cc23)N1 ZINC000587761197 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nn(C)cc23)N1 ZINC000587761198 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cnn(C)c23)N1 ZINC000587761203 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cnn(C)c23)N1 ZINC000587761204 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cnn(C)c23)N1 ZINC000587761205 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cnn(C)c23)N1 ZINC000587761206 FI Annotated Anodyne C[C@H]1CCCCN1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761215 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCC[C@H]2C)N1 ZINC000587761216 FI Annotated Anodyne C[C@H]1CCCCN1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761217 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCC[C@H]2C)N1 ZINC000587761218 FI Annotated Anodyne CCCn1nc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761379 FI Annotated Anodyne CCCn1nc(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761380 FI Annotated Anodyne CCCn1nc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761381 FI Annotated Anodyne CCCn1nc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761382 FI Annotated Anodyne CCCn1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587761403 FI Annotated Anodyne CCCn1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587761404 FI Annotated Anodyne CCCn1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587761405 FI Annotated Anodyne CCCn1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587761406 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587761407 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587761408 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587761409 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587761410 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761411 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761412 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761413 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761414 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587761443 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587761444 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587761445 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C(C)(C)C)c2)N1 ZINC000587761446 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cn(C)nc23)N1 ZINC000587761789 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cn(C)nc23)N1 ZINC000587761790 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cn(C)nc23)N1 ZINC000587761792 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cn(C)nc23)N1 ZINC000587761793 FI Annotated Anodyne CCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587762012 FI Annotated Anodyne CCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587762013 FI Annotated Anodyne CCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587762014 FI Annotated Anodyne CCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587762015 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762061 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762063 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762065 FI Annotated Anodyne CC[C@H](C)n1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762067 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nn(C)cc23)N1 ZINC000587762070 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nn(C)cc23)N1 ZINC000587762073 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nn(C)cc23)N1 ZINC000587762076 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nn(C)cc23)N1 ZINC000587762078 FI Annotated Anodyne CCCn1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587762103 FI Annotated Anodyne CCCn1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587762105 FI Annotated Anodyne CCCn1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587762107 FI Annotated Anodyne CCCn1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587762109 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cnn(C)c23)N1 ZINC000587762206 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cnn(C)c23)N1 ZINC000587762208 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cnn(C)c23)N1 ZINC000587762210 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cnn(C)c23)N1 ZINC000587762211 FI Annotated Anodyne CCCCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762436 FI Annotated Anodyne CCCCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762437 FI Annotated Anodyne CCCCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762438 FI Annotated Anodyne CCCCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587762439 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)c3ccccc23)N1 ZINC000587762476 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)c3ccccc23)N1 ZINC000587762477 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)c3ccccc23)N1 ZINC000587762478 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)c3ccccc23)N1 ZINC000587762479 FI Annotated Anodyne CC(C)n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762556 FI Annotated Anodyne CC(C)n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762558 FI Annotated Anodyne CC(C)n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762560 FI Annotated Anodyne CC(C)n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762561 FI Annotated Anodyne CCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587762771 FI Annotated Anodyne CCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587762772 FI Annotated Anodyne CCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587762773 FI Annotated Anodyne CCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587762774 FI Annotated Anodyne CCCn1nc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763044 FI Annotated Anodyne CCCn1nc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763045 FI Annotated Anodyne CCCn1nc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763046 FI Annotated Anodyne CCCn1nc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763047 FI Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C ZINC000587763084 FI Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C ZINC000587763085 FI Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C ZINC000587763086 FI Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C ZINC000587763087 FI Annotated Anodyne Cc1cc(C)n(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763320 FI Annotated Anodyne Cc1cc(C)n(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763321 FI Annotated Anodyne Cc1cc(C)n(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763322 FI Annotated Anodyne Cc1cc(C)n(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763323 FI Annotated Anodyne Cc1cc(C)n(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763332 FI Annotated Anodyne Cc1cc(C)n(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763333 FI Annotated Anodyne Cc1cc(C)n(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763334 FI Annotated Anodyne Cc1cc(C)n(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763335 FI Annotated Anodyne CC(C)Cn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763628 FI Annotated Anodyne CC(C)Cn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763629 FI Annotated Anodyne CC(C)Cn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763630 FI Annotated Anodyne CC(C)Cn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587763631 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763768 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763769 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763770 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763771 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763831 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763833 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763835 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763836 FI Annotated Anodyne CCCn1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763860 FI Annotated Anodyne CCCn1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763862 FI Annotated Anodyne CCCn1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763863 FI Annotated Anodyne CCCn1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763864 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763910 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763912 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763914 FI Annotated Anodyne Cc1nn(C(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763916 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCCCC2)N1 ZINC000587764350 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N2CCCCC2)N1 ZINC000587764351 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCCCC2)N1 ZINC000587764352 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2CCCCC2)N1 ZINC000587764353 FI Annotated Anodyne CCCn1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764488 FI Annotated Anodyne CCCn1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764489 FI Annotated Anodyne CCCn1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764490 FI Annotated Anodyne CCCn1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587764491 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCCCC2)N1 ZINC000587764684 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCCCC2)N1 ZINC000587764685 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCCCCC2)N1 ZINC000587764686 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCCCCC2)N1 ZINC000587764687 FI Annotated Anodyne CC(C)Cn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764783 FI Annotated Anodyne CC(C)Cn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764785 FI Annotated Anodyne CC(C)Cn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764786 FI Annotated Anodyne CC(C)Cn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587764788 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587764791 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587764794 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCCCC2)N1 ZINC000587764895 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N2CCCCC2)N1 ZINC000587764897 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCCCC2)N1 ZINC000587764899 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2CCCCC2)N1 ZINC000587764901 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587765132 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587765133 FI Annotated Anodyne CC(C)n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587765223 FI Annotated Anodyne CC(C)n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587765225 FI Annotated Anodyne CC(C)n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587765227 FI Annotated Anodyne CC(C)n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587765230 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C ZINC000587765383 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C ZINC000587765385 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C ZINC000587765387 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C(C)C ZINC000587765389 FI Annotated Anodyne CC(C)CN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765476 FI Annotated Anodyne CC(C)CN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765477 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C ZINC000587765734 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C ZINC000587765735 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C ZINC000587765737 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C(C)C ZINC000587765739 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(C)(C)C)CC2)N1 ZINC000587765744 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(C)(C)C)CC2)N1 ZINC000587765747 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN2CCCC2)N1 ZINC000587765940 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN2CCCC2)N1 ZINC000587765941 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN2CCCC2)N1 ZINC000587765942 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN2CCCC2)N1 ZINC000587765943 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCCCC2)N1 ZINC000587766000 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCCCC2)N1 ZINC000587766001 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN2CCCCC2)N1 ZINC000587766002 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN2CCCCC2)N1 ZINC000587766003 FI Annotated Anodyne CC(C)N1CCC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587766200 FI Annotated Anodyne CC(C)N1CCC([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587766202 FI Annotated Anodyne CC(C)N1CCC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587766204 FI Annotated Anodyne CC(C)N1CCC([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587766205 FI Annotated Anodyne CC(C)CN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766382 FI Annotated Anodyne CC(C)CN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766384 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCCCC2)N1 ZINC000587766538 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCCCC2)N1 ZINC000587766539 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCCCCC2)N1 ZINC000587766541 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCCCCC2)N1 ZINC000587766542 FI Annotated Anodyne CCCCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587766715 FI Annotated Anodyne CCCCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587766716 FI Annotated Anodyne CCCCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587766717 FI Annotated Anodyne CCCCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587766718 FI Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C ZINC000587766850 FI Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C ZINC000587766851 FI Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C ZINC000587766852 FI Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C ZINC000587766854 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)c3ccccc32)N1 ZINC000587766857 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)c3ccccc32)N1 ZINC000587766863 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)c3ccccc32)N1 ZINC000587766867 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)c3ccccc32)N1 ZINC000587766870 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767281 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767283 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767284 FI Annotated Anodyne CC(C)c1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767285 FI Annotated Anodyne Cc1cccnc1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767823 FI Annotated Anodyne Cc1cccnc1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767825 FI Annotated Anodyne Cc1cccnc1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767826 FI Annotated Anodyne Cc1cccnc1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767828 FI Annotated Anodyne CC[C@@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767959 FI Annotated Anodyne CC[C@@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767960 FI Annotated Anodyne CC[C@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767962 FI Annotated Anodyne CC[C@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767965 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)c3ccccc23)N1 ZINC000587768039 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)c3ccccc23)N1 ZINC000587768042 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)c3ccccc23)N1 ZINC000587768044 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)c3ccccc23)N1 ZINC000587768046 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCCCC2)N1 ZINC000587768405 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2CCCCC2)N1 ZINC000587768408 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN2CCCCC2)N1 ZINC000587768411 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN2CCCCC2)N1 ZINC000587768413 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587768565 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587768567 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587768892 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587768893 FI Annotated Anodyne Cc1ccnc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768900 FI Annotated Anodyne Cc1ccnc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768901 FI Annotated Anodyne Cc1ccnc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768902 FI Annotated Anodyne Cc1ccnc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587768903 FI Annotated Anodyne Cc1cccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768908 FI Annotated Anodyne Cc1cccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768909 FI Annotated Anodyne Cc1cccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768910 FI Annotated Anodyne Cc1cccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768911 FI Annotated Anodyne CC(C)[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768986 FI Annotated Anodyne CC(C)[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768987 FI Annotated Anodyne CC(C)[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768988 FI Annotated Anodyne CC(C)[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768989 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)c3ccccc32)N1 ZINC000587769036 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)c3ccccc32)N1 ZINC000587769037 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)c3ccccc32)N1 ZINC000587769038 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)c3ccccc32)N1 ZINC000587769039 FI Annotated Anodyne CC(C)N1CCC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769319 FI Annotated Anodyne CC(C)N1CCC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769321 FI Annotated Anodyne CC(C)N1CCC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769323 FI Annotated Anodyne CC(C)N1CCC([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769324 FI Annotated Anodyne Cc1cccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769463 FI Annotated Anodyne Cc1cccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769465 FI Annotated Anodyne Cc1cccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769467 FI Annotated Anodyne Cc1cccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587769469 FI Annotated Anodyne CCOc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587769481 FI Annotated Anodyne CCOc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587769484 FI Annotated Anodyne CCOc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587769486 FI Annotated Anodyne CCOc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587769488 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C2CC2)N1 ZINC000587769516 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C2CC2)N1 ZINC000587769525 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C2CC2)N1 ZINC000587769526 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C2CC2)N1 ZINC000587769527 FI Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587769545 FI Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587769546 FI Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587769547 FI Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587769548 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN2CCCC2)N1 ZINC000587769632 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN2CCCC2)N1 ZINC000587769633 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN2CCCC2)N1 ZINC000587769634 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN2CCCC2)N1 ZINC000587769635 FI Annotated Anodyne CCCCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769768 FI Annotated Anodyne CCCCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769769 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(C)(C)C)CC2)N1 ZINC000587769796 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(C)(C)C)CC2)N1 ZINC000587769798 FI Annotated Anodyne CCc1cnccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770488 FI Annotated Anodyne CCc1cnccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770495 FI Annotated Anodyne CCc1cnccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770499 FI Annotated Anodyne CCc1cnccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770500 FI Annotated Anodyne CC(C)[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770606 FI Annotated Anodyne CC(C)[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770608 FI Annotated Anodyne CC(C)[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770610 FI Annotated Anodyne CC(C)[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770611 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587770919 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587770920 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587770921 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587770922 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587770963 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587770964 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587770965 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587770966 FI Annotated Anodyne CC(C)c1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587771103 FI Annotated Anodyne CC(C)c1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587771106 FI Annotated Anodyne CC(C)c1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587771109 FI Annotated Anodyne CC(C)c1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587771111 FI Annotated Anodyne CCCCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771118 FI Annotated Anodyne CCCCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771120 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccn23)N1 ZINC000587771132 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccn23)N1 ZINC000587771135 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccn23)N1 ZINC000587771137 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccn23)N1 ZINC000587771140 FI Annotated Anodyne Cc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 ZINC000587771187 FI Annotated Anodyne Cc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 ZINC000587771191 FI Annotated Anodyne Cc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 ZINC000587771193 FI Annotated Anodyne Cc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 ZINC000587771197 FI Annotated Anodyne CC(C)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587771282 FI Annotated Anodyne CC(C)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587771285 FI Annotated Anodyne CC(C)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587771287 FI Annotated Anodyne CC(C)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587771289 FI Annotated Anodyne CCOc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771456 FI Annotated Anodyne CCOc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771457 FI Annotated Anodyne CCOc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771459 FI Annotated Anodyne CCOc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771460 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771524 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771526 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771527 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771528 FI Annotated Anodyne Cc1ccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771542 FI Annotated Anodyne Cc1ccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771543 FI Annotated Anodyne Cc1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771544 FI Annotated Anodyne Cc1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771546 FI Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587771728 FI Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587771730 FI Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587771732 FI Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587771734 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccn2)N1 ZINC000587772030 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccn2)N1 ZINC000587772034 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccn2)N1 ZINC000587772035 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccn2)N1 ZINC000587772036 FI Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587772174 FI Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587772176 FI Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587772178 FI Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587772180 FI Annotated Anodyne Cc1ccn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587772198 FI Annotated Anodyne Cc1ccn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587772200 FI Annotated Anodyne Cc1ccn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587772201 FI Annotated Anodyne Cc1ccn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 ZINC000587772203 FI Annotated Anodyne CCc1cnccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772669 FI Annotated Anodyne CCc1cnccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772670 FI Annotated Anodyne CCc1cnccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772671 FI Annotated Anodyne CCc1cnccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772672 FI Annotated Anodyne Cc1ccn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587772677 FI Annotated Anodyne Cc1ccn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587772678 FI Annotated Anodyne Cc1ccn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587772679 FI Annotated Anodyne Cc1ccn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1 ZINC000587772680 FI Annotated Anodyne Cc1cncc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772681 FI Annotated Anodyne Cc1cncc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772682 FI Annotated Anodyne Cc1cncc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772683 FI Annotated Anodyne Cc1cncc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772684 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587772797 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587772798 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587772799 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587772800 FI Annotated Anodyne Cc1cccnc1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772832 FI Annotated Anodyne Cc1cccnc1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772834 FI Annotated Anodyne Cc1cccnc1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772836 FI Annotated Anodyne Cc1cccnc1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772838 FI Annotated Anodyne Cc1ccnc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772918 FI Annotated Anodyne Cc1ccnc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772919 FI Annotated Anodyne Cc1ccnc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772929 FI Annotated Anodyne Cc1ccnc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587772931 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc(C3CC3)n2)N1 ZINC000587773113 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc(C3CC3)n2)N1 ZINC000587773115 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc(C3CC3)n2)N1 ZINC000587773116 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc(C3CC3)n2)N1 ZINC000587773117 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc(C3CC3)n2)N1 ZINC000587773391 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc(C3CC3)n2)N1 ZINC000587773392 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc(C3CC3)n2)N1 ZINC000587773394 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc(C3CC3)n2)N1 ZINC000587773395 FI Annotated Anodyne Cc1cncc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773461 FI Annotated Anodyne Cc1cncc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773462 FI Annotated Anodyne Cc1cncc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773463 FI Annotated Anodyne Cc1cncc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773464 FI Annotated Anodyne Cc1cccc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12 ZINC000587773478 FI Annotated Anodyne Cc1cccc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12 ZINC000587773480 FI Annotated Anodyne Cc1cccc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12 ZINC000587773481 FI Annotated Anodyne Cc1cccc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12 ZINC000587773483 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C2CC2)N1 ZINC000587773716 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C2CC2)N1 ZINC000587773717 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C2CC2)N1 ZINC000587773718 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C2CC2)N1 ZINC000587773719 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn3ccccc3n2)N1 ZINC000587773800 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn3ccccc3n2)N1 ZINC000587773801 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn3ccccc3n2)N1 ZINC000587773802 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn3ccccc3n2)N1 ZINC000587773803 FI Annotated Anodyne CC(C)c1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773808 FI Annotated Anodyne CC(C)c1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773809 FI Annotated Anodyne CC(C)c1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773810 FI Annotated Anodyne CC(C)c1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773811 FI Annotated Anodyne CCOc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773888 FI Annotated Anodyne CCOc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773889 FI Annotated Anodyne CCOc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773890 FI Annotated Anodyne CCOc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773891 FI Annotated Anodyne Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587773896 FI Annotated Anodyne Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587773897 FI Annotated Anodyne Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587773898 FI Annotated Anodyne Cc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587773899 FI Annotated Anodyne CCc1cccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773900 FI Annotated Anodyne CCc1cccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773901 FI Annotated Anodyne CCc1cccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773902 FI Annotated Anodyne CCc1cccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773903 FI Annotated Anodyne Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587773928 FI Annotated Anodyne Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587773929 FI Annotated Anodyne Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587773930 FI Annotated Anodyne Cc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587773931 FI Annotated Anodyne CC[C@@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773952 FI Annotated Anodyne CC[C@@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773953 FI Annotated Anodyne CC[C@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773954 FI Annotated Anodyne CC[C@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773955 FI Annotated Anodyne Cc1ccncc1CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774000 FI Annotated Anodyne Cc1ccncc1CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774001 FI Annotated Anodyne Cc1ccncc1CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774002 FI Annotated Anodyne Cc1ccncc1CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774003 FI Annotated Anodyne CC(C)[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774011 FI Annotated Anodyne CC(C)[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774012 FI Annotated Anodyne CC(C)[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774015 FI Annotated Anodyne CC(C)[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774017 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587774220 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587774221 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587774222 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587774223 FI Annotated Anodyne CC(C)[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774268 FI Annotated Anodyne CC(C)[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774269 FI Annotated Anodyne CC(C)[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774270 FI Annotated Anodyne CC(C)[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774271 FI Annotated Anodyne CC(C)c1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774348 FI Annotated Anodyne CC(C)c1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774349 FI Annotated Anodyne CC(C)c1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774350 FI Annotated Anodyne CC(C)c1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774351 FI Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587774524 FI Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587774526 FI Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587774527 FI Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587774528 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C2CC2)N1 ZINC000587774669 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C2CC2)N1 ZINC000587774670 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C2CC2)N1 ZINC000587774671 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C2CC2)N1 ZINC000587774672 FI Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn12 ZINC000587774673 FI Annotated Anodyne Cc1cccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn12 ZINC000587774674 FI Annotated Anodyne Cc1cccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn12 ZINC000587774675 FI Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn12 ZINC000587774676 FI Annotated Anodyne CCc1cccnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774773 FI Annotated Anodyne CCc1cccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774774 FI Annotated Anodyne CCc1cccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774775 FI Annotated Anodyne CCc1cccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774776 FI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774957 FI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774958 FI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774959 FI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774960 FI Annotated Anodyne CCOc1ccncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774997 FI Annotated Anodyne CCOc1ccncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774998 FI Annotated Anodyne CCOc1ccncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774999 FI Annotated Anodyne CCOc1ccncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775000 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccn2)N1 ZINC000587775017 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccn2)N1 ZINC000587775018 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccn2)N1 ZINC000587775019 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccn2)N1 ZINC000587775020 FI Annotated Anodyne CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775065 FI Annotated Anodyne CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775066 FI Annotated Anodyne CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775067 FI Annotated Anodyne CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775068 FI Annotated Anodyne CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775093 FI Annotated Anodyne CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775094 FI Annotated Anodyne CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775095 FI Annotated Anodyne CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775096 FI Annotated Anodyne Cc1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775105 FI Annotated Anodyne Cc1ccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775106 FI Annotated Anodyne Cc1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775107 FI Annotated Anodyne Cc1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775108 FI Annotated Anodyne Cc1ccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587775181 FI Annotated Anodyne Cc1ccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587775182 FI Annotated Anodyne Cc1ccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587775184 FI Annotated Anodyne Cc1ccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587775186 FI Annotated Anodyne Cc1cccc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12 ZINC000587775201 FI Annotated Anodyne Cc1cccc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12 ZINC000587775202 FI Annotated Anodyne Cc1cccc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12 ZINC000587775203 FI Annotated Anodyne Cc1cccc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12 ZINC000587775204 FI Annotated Anodyne Cc1cccn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587775277 FI Annotated Anodyne Cc1cccn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587775278 FI Annotated Anodyne Cc1cccn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587775279 FI Annotated Anodyne Cc1cccn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587775280 FI Annotated Anodyne CC(C)c1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775289 FI Annotated Anodyne CC(C)c1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775290 FI Annotated Anodyne CC(C)c1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775291 FI Annotated Anodyne CC(C)c1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775292 FI Annotated Anodyne CCOc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775373 FI Annotated Anodyne CCOc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775374 FI Annotated Anodyne CCOc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775375 FI Annotated Anodyne CCOc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775376 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587775393 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587775394 FI Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587775395 FI Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587775396 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccn23)N1 ZINC000587775521 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccn23)N1 ZINC000587775523 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccn23)N1 ZINC000587775525 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccn23)N1 ZINC000587775527 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC#N)(c2cccnc2)N1 ZINC000587775537 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC#N)(c2cccnc2)N1 ZINC000587775540 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC#N)(c2cccnc2)N1 ZINC000587775542 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC#N)(c2cccnc2)N1 ZINC000587775543 FI Annotated Mild Cc1ccncc1CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775649 FI Annotated Anodyne Cc1ccncc1CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775650 FI Annotated Anodyne Cc1ccncc1CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775651 FI Annotated Anodyne Cc1ccncc1CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775652 FI Annotated Anodyne Cc1ccc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587775677 FI Annotated Anodyne Cc1ccc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587775678 FI Annotated Anodyne Cc1ccc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587775679 FI Annotated Anodyne Cc1ccc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 ZINC000587775680 FI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775791 FI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775792 FI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775793 FI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775794 FI Annotated Anodyne CC(C)[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775810 FI Annotated Anodyne CC(C)[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775811 FI Annotated Anodyne CC(C)[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775813 FI Annotated Anodyne CC(C)[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775815 FI Annotated Anodyne CCOc1ccncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775884 FI Annotated Anodyne CCOc1ccncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775885 FI Annotated Anodyne CCOc1ccncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775886 FI Annotated Anodyne CCOc1ccncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775887 FI Annotated Anodyne Cc1cccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn12 ZINC000587776009 FI Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn12 ZINC000587776010 FI Annotated Anodyne Cc1cccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn12 ZINC000587776011 FI Annotated Anodyne Cc1cccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn12 ZINC000587776012 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C2CC2)N1 ZINC000587776049 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C2CC2)N1 ZINC000587776050 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C2CC2)N1 ZINC000587776051 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C2CC2)N1 ZINC000587776052 FI Annotated Anodyne CC(C)c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587776117 FI Annotated Anodyne CC(C)c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587776119 FI Annotated Anodyne CC(C)c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587776122 FI Annotated Anodyne CC(C)c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587776124 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncccc32)N1 ZINC000587776163 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncccc32)N1 ZINC000587776166 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncccc32)N1 ZINC000587776167 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncccc32)N1 ZINC000587776168 FI Annotated Anodyne Cc1cccn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587776324 FI Annotated Anodyne Cc1cccn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587776325 FI Annotated Anodyne Cc1cccn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587776326 FI Annotated Anodyne Cc1cccn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587776327 FI Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587776360 FI Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587776361 FI Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587776362 FI Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587776363 FI Annotated Anodyne Cc1cc2c(cn1)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776476 FI Annotated Anodyne Cc1cc2c(cn1)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776477 FI Annotated Anodyne Cc1cc2c(cn1)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776478 FI Annotated Anodyne Cc1cc2c(cn1)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776479 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nccnc23)N1 ZINC000587776500 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nccnc23)N1 ZINC000587776501 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nccnc23)N1 ZINC000587776502 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nccnc23)N1 ZINC000587776503 FI Annotated Anodyne CC(C)c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587776564 FI Annotated Anodyne CC(C)c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587776566 FI Annotated Anodyne CC(C)c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587776567 FI Annotated Anodyne CC(C)c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587776569 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3cnccc23)N1 ZINC000587776790 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3cnccc23)N1 ZINC000587776791 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3cnccc23)N1 ZINC000587776792 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3cnccc23)N1 ZINC000587776793 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC#N)(c2cccnc2)N1 ZINC000587776859 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC#N)(c2cccnc2)N1 ZINC000587776861 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC#N)(c2cccnc2)N1 ZINC000587776863 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC#N)(c2cccnc2)N1 ZINC000587776866 FI Annotated Mild Cc1ccc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587776886 FI Annotated Anodyne Cc1ccc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587776888 FI Annotated Anodyne Cc1ccc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587776890 FI Annotated Anodyne Cc1ccc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 ZINC000587776891 FI Annotated Anodyne Cc1ccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 ZINC000587776949 FI Annotated Anodyne Cc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 ZINC000587776951 FI Annotated Anodyne Cc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 ZINC000587776954 FI Annotated Anodyne Cc1ccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 ZINC000587776956 FI Annotated Anodyne CC(C)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776965 FI Annotated Anodyne CC(C)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776966 FI Annotated Anodyne CC(C)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776967 FI Annotated Anodyne CC(C)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776968 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn3ccccc3n2)N1 ZINC000587776977 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn3ccccc3n2)N1 ZINC000587776978 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn3ccccc3n2)N1 ZINC000587776979 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn3ccccc3n2)N1 ZINC000587776980 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccncc32)N1 ZINC000587777228 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccncc32)N1 ZINC000587777230 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccncc32)N1 ZINC000587777231 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccncc32)N1 ZINC000587777233 FI Annotated Anodyne CCCCCOc1cc2nc(CC(=O)OCC)[nH]c2cc1Br ZINC000587777350 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cnccc32)N1 ZINC000587777383 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cnccc32)N1 ZINC000587777384 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cnccc32)N1 ZINC000587777385 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cnccc32)N1 ZINC000587777386 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccoc3cn2)N1 ZINC000587777455 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccoc3cn2)N1 ZINC000587777456 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccoc3cn2)N1 ZINC000587777457 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccoc3cn2)N1 ZINC000587777458 FI Annotated Anodyne CCOc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1C ZINC000587777629 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587777733 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587777815 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncoc3c2)N1 ZINC000587777853 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncoc3c2)N1 ZINC000587777854 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncoc3c2)N1 ZINC000587777855 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncoc3c2)N1 ZINC000587777857 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ocnc3c2)N1 ZINC000587777872 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ocnc3c2)N1 ZINC000587777873 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ocnc3c2)N1 ZINC000587777874 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ocnc3c2)N1 ZINC000587777875 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cnccc32)N1 ZINC000587777981 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cnccc32)N1 ZINC000587777982 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cnccc32)N1 ZINC000587777984 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cnccc32)N1 ZINC000587777985 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587778067 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587778161 FI Annotated Anodyne CCOc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1C ZINC000587778173 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587778176 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncccc32)N1 ZINC000587778189 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncccc32)N1 ZINC000587778190 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncccc32)N1 ZINC000587778192 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncccc32)N1 ZINC000587778193 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccnc32)N1 ZINC000587778198 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccnc32)N1 ZINC000587778199 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccnc32)N1 ZINC000587778200 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccnc32)N1 ZINC000587778201 FI Annotated Anodyne CCCCOc1cc2nc(COCCOCC)[nH]c2cc1Br ZINC000587778228 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3o2)N1 ZINC000587778335 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3o2)N1 ZINC000587778336 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3o2)N1 ZINC000587778338 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3o2)N1 ZINC000587778340 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3o2)N1 ZINC000587778363 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3o2)N1 ZINC000587778364 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3o2)N1 ZINC000587778365 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3o2)N1 ZINC000587778366 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccoc3cn2)N1 ZINC000587778388 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccoc3cn2)N1 ZINC000587778389 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccoc3cn2)N1 ZINC000587778390 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccoc3cn2)N1 ZINC000587778391 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncoc3c2)N1 ZINC000587778487 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncoc3c2)N1 ZINC000587778488 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncoc3c2)N1 ZINC000587778489 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncoc3c2)N1 ZINC000587778490 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccoc3c2)N1 ZINC000587778541 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccoc3c2)N1 ZINC000587778543 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccoc3c2)N1 ZINC000587778544 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccoc3c2)N1 ZINC000587778545 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nccnc23)N1 ZINC000587778601 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nccnc23)N1 ZINC000587778602 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nccnc23)N1 ZINC000587778603 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nccnc23)N1 ZINC000587778604 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 ZINC000587778821 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587778826 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nccnc3c2)N1 ZINC000587778945 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nccnc3c2)N1 ZINC000587778946 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nccnc3c2)N1 ZINC000587778947 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nccnc3c2)N1 ZINC000587778948 FI Annotated Anodyne CCCOc1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587778973 FI Annotated Anodyne CCCOc1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587779021 FI Annotated Anodyne CC(C)[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779100 FI Annotated Anodyne CC(C)[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779101 FI Annotated Anodyne CC(C)[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779102 FI Annotated Anodyne CC(C)[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779104 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3o2)N1 ZINC000587779115 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3o2)N1 ZINC000587779117 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3o2)N1 ZINC000587779118 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3o2)N1 ZINC000587779120 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccoc3c2)N1 ZINC000587779140 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccoc3c2)N1 ZINC000587779143 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccoc3c2)N1 ZINC000587779145 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccoc3c2)N1 ZINC000587779147 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587779154 FI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587779158 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ocnc3c2)N1 ZINC000587779254 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ocnc3c2)N1 ZINC000587779255 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ocnc3c2)N1 ZINC000587779256 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ocnc3c2)N1 ZINC000587779257 FI Annotated Anodyne CCCOc1cccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587779279 FI Annotated Anodyne CCOCCOCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587779310 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccnc32)N1 ZINC000587779419 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccnc32)N1 ZINC000587779420 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccnc32)N1 ZINC000587779421 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccnc32)N1 ZINC000587779422 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nccnc3c2)N1 ZINC000587779475 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nccnc3c2)N1 ZINC000587779476 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nccnc3c2)N1 ZINC000587779477 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nccnc3c2)N1 ZINC000587779478 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cccnc3c2)N1 ZINC000587779517 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cccnc3c2)N1 ZINC000587779518 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cccnc3c2)N1 ZINC000587779519 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cccnc3c2)N1 ZINC000587779520 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccc3n2)N1 ZINC000587779562 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccc3n2)N1 ZINC000587779563 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccc3n2)N1 ZINC000587779564 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccc3n2)N1 ZINC000587779565 FI Annotated Anodyne Cc1cc2c(cn1)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779577 FI Annotated Anodyne Cc1cc2c(cn1)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779578 FI Annotated Anodyne Cc1cc2c(cn1)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779579 FI Annotated Anodyne Cc1cc2c(cn1)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779581 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccncc32)N1 ZINC000587779617 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccncc32)N1 ZINC000587779619 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccncc32)N1 ZINC000587779620 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccncc32)N1 ZINC000587779621 FI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587779622 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cccnc3c2)N1 ZINC000587779634 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cccnc3c2)N1 ZINC000587779635 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cccnc3c2)N1 ZINC000587779636 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cccnc3c2)N1 ZINC000587779637 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccc3n2)N1 ZINC000587779656 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccc3n2)N1 ZINC000587779657 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccc3n2)N1 ZINC000587779658 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccc3n2)N1 ZINC000587779660 FI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587779723 FI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587779731 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3o2)N1 ZINC000587779743 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3o2)N1 ZINC000587779744 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3o2)N1 ZINC000587779745 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3o2)N1 ZINC000587779746 FI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587779888 FI Annotated Mild CCOc1ccccc1OCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587779926 FI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587780093 FI Annotated Anodyne CCOc1ccccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587780179 FI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587780209 FI Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587780215 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3cnccc23)N1 ZINC000587780249 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3cnccc23)N1 ZINC000587780250 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3cnccc23)N1 ZINC000587780251 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3cnccc23)N1 ZINC000587780252 FI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587780333 FI Annotated Anodyne CCOc1ccccc1OCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587780470 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(COC/C=C\c3ccccc3)nc1-2 ZINC000587780500 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(COC/C=C/c3ccccc3)nc1-2 ZINC000587780501 FI Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)c1 ZINC000587780557 FI Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)c1 ZINC000587780568 FI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587780688 FI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 ZINC000587780764 FI Annotated Mild N#Cc1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 ZINC000587780765 FI Annotated Mild Oc1c(Br)ccc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587780783 FI Annotated Anodyne Oc1c(Br)ccc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587780784 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc12 ZINC000587780895 FI Annotated Anodyne Fc1cnc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc12 ZINC000587780896 FI Annotated Anodyne Cc1nc2[nH]c(COC/C=C/c3ccccc3)nc2cc1Br ZINC000587781297 FI Annotated Anodyne Cc1nc2[nH]c(COC/C=C\c3ccccc3)nc2cc1Br ZINC000587781298 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(COC/C=C/c3ccccc3)nc12 ZINC000587781593 FI Annotated Anodyne Cc1c(Br)cnc2[nH]c(COC/C=C\c3ccccc3)nc12 ZINC000587781594 FI Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587781903 FI Annotated Anodyne O=C(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1 ZINC000587782043 FI Annotated Anodyne O=C(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCc1ccccc1 ZINC000587782296 FI Annotated Anodyne Cc1c(Br)cc2nc(CC(=O)OCc3ccccc3)[nH]c2c1C ZINC000587782426 FI Annotated Anodyne Nc1ccc(Oc2ccc3nc(CC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587782540 FI Annotated Clean O=C(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)OCc1ccccc1 ZINC000587782628 FI Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587782949 FI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587782990 FI Annotated Bother COC(=O)Cc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587783050 FI Annotated Bother COC(=O)Cc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587783060 FI Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587783120 FI Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587783330 FI Annotated Anodyne CC(C)Oc1cc2nc(CCOCC3CC3)[nH]c2cc1Br ZINC000587783375 FI Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587783458 FI Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587783484 FI Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 ZINC000587783754 FI Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CCOCC3CC3)[nH]c12 ZINC000587783958 FI Annotated Anodyne CC(C)COc1cc2nc(CCOCC3CC3)[nH]c2cc1Br ZINC000587784167 FI Annotated Anodyne CCCCOc1cc2nc(CCOCC3CC3)[nH]c2cc1Br ZINC000587784611 FI Annotated Anodyne CCCOc1cc2nc(CCOCC3CC3)[nH]c2cc1Br ZINC000587784623 FI Annotated Anodyne COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(OC)c1O ZINC000587784680 FI Annotated Bother COc1cc(/C=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(O)c1O ZINC000587784699 FI Annotated Clean Brc1ccc(Br)c2[nH]c(CCOCC3CC3)nc12 ZINC000587784700 FI Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(O)c1O ZINC000587784703 FI Annotated Clean Brc1cc2nc(CCOCC3CC3)[nH]c2cc1Br ZINC000587784900 FI Annotated Anodyne FC(F)(F)c1cc2nc(CCOCC3CC3)[nH]c2cc1Br ZINC000587784966 FI Annotated Anodyne COc1cc(/C=C/c2nc3cccc(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587785002 FI Annotated Clean COc1cc(/C=C\c2nc3cccc(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587785004 FI Annotated Clean COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc(OC)c1O ZINC000587785094 FI Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 ZINC000587785233 FI Annotated Anodyne COc1cccc(C)c1-c1nc2cccc(I)c2[nH]1 ZINC000587785442 FI Annotated Anodyne COc1cccc(C)c1-c1nc2ccc(I)cc2[nH]1 ZINC000587785534 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1O ZINC000587785568 FI Annotated Anodyne COc1cc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587785577 FI Annotated Clean COc1cc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587785585 FI Annotated Clean COc1ccc(C=O)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587785594 FI Annotated Anodyne COc1cccc(C)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587785656 FI Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(O)c1O ZINC000587785852 FI Annotated Clean COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(O)c1O ZINC000587785853 FI Annotated Clean COc1ccc(C=O)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587785870 FI Annotated Bother COc1cc(/C=C\c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(O)c1O ZINC000587785925 FI Annotated Clean COc1cc(/C=C/c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(O)c1O ZINC000587785929 FI Annotated Clean COc1cc(/C=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(O)c1O ZINC000587785958 FI Annotated Clean COc1cc(/C=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(O)c1O ZINC000587785960 FI Annotated Clean COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587785968 FI Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(OC)c1C ZINC000587786058 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1O ZINC000587786087 FI Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1OC ZINC000587786141 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1O ZINC000587786163 FI Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1OC ZINC000587786165 FI Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1OC ZINC000587786238 FI Annotated Anodyne COc1cccc(C)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587786391 FI Annotated Clean COc1cc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587786402 FI Annotated Clean COc1cc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587786404 FI Annotated Clean COc1ccc(C=O)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587786442 FI Annotated Anodyne COc1cccc(C)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587786506 FI Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587786559 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587786565 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587786567 FI Annotated Mild COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1Cl ZINC000587786575 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1O ZINC000587786596 FI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587786626 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587786639 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1O ZINC000587786643 FI Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1OC ZINC000587786683 FI Annotated Anodyne COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(OC)c1O ZINC000587786696 FI Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(O)c1O ZINC000587786699 FI Annotated Clean COc1cc(/C=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(O)c1O ZINC000587786701 FI Annotated Clean COc1cc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(O)c1O ZINC000587786816 FI Annotated Clean COc1cc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(O)c1O ZINC000587786817 FI Annotated Clean COc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(OC)c1C ZINC000587786958 FI Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(OC)c1C ZINC000587786970 FI Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(OC)c1O ZINC000587786979 FI Annotated Anodyne COc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(OC)c1C ZINC000587786990 FI Annotated Mild COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)cc(OC)c1O ZINC000587787050 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587787153 FI Annotated Bother COc1ccc(C=O)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1OC ZINC000587787154 FI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587787161 FI Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1OC ZINC000587787276 FI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587787292 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1O ZINC000587787298 FI Annotated Anodyne COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)cc(OC)c1O ZINC000587787364 FI Annotated Anodyne COc1cccc(C)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587787491 FI Annotated Bother COc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(OC)c1C ZINC000587787575 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587787616 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587787675 FI Annotated Anodyne COc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(OC)c1C ZINC000587787790 FI Annotated Anodyne COc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c1C ZINC000587787848 FI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587788041 FI Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587788098 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587788100 FI Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c(OC)c1C ZINC000587788130 FI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cccc(Br)c2[nH]1 ZINC000587788160 FI Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(OC)c1C ZINC000587788251 FI Annotated Anodyne COc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(OC)c1C ZINC000587788322 FI Annotated Mild COc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(OC)c1C ZINC000587788335 FI Annotated Anodyne C#CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788970 FI Annotated Mild C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788976 FI Annotated Mild C#CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788978 FI Annotated Mild C#CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788980 FI Annotated Mild Cc1[nH]c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587789051 FI Annotated Anodyne Cc1[nH]c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587789052 FI Annotated Anodyne Cc1[nH]c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587789053 FI Annotated Anodyne Cc1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587789054 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587789132 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587789133 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587789135 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587789137 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2NCC3)N1 ZINC000587789181 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2NCC3)N1 ZINC000587789186 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2NCC3)N1 ZINC000587789189 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2NCC3)N1 ZINC000587789190 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c[nH]nc23)N1 ZINC000587789289 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c[nH]nc23)N1 ZINC000587789290 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c[nH]nc23)N1 ZINC000587789291 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c[nH]nc23)N1 ZINC000587789292 FI Annotated Anodyne CCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789373 FI Annotated Anodyne CCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789374 FI Annotated Anodyne CCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789377 FI Annotated Anodyne CCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789379 FI Annotated Anodyne C#CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587789476 FI Annotated Mild C#CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587789478 FI Annotated Mild C#CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587789585 FI Annotated Mild C#CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587789589 FI Annotated Mild C#CCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789891 FI Annotated Mild C#CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789893 FI Annotated Mild C#CCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789896 FI Annotated Mild C#CCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789898 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587789923 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587789926 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587789929 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587789931 FI Annotated Anodyne Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587790047 FI Annotated Anodyne Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587790048 FI Annotated Anodyne Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587790049 FI Annotated Anodyne Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587790050 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790098 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790100 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790102 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790104 FI Annotated Anodyne C#CCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790114 FI Annotated Mild C#CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790115 FI Annotated Mild C#CCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790116 FI Annotated Mild C#CCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790117 FI Annotated Mild CCCC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790134 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790138 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790140 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790141 FI Annotated Anodyne C=Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790182 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587790186 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587790187 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587790188 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587790189 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790190 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790191 FI Annotated Anodyne C=Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790192 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790193 FI Annotated Anodyne C=Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790194 FI Annotated Anodyne CCCC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790195 FI Annotated Anodyne C=Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790196 FI Annotated Anodyne CCCCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790212 FI Annotated Anodyne CCCCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790213 FI Annotated Anodyne CCCCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790215 FI Annotated Anodyne CCCCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790217 FI Annotated Anodyne COCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790299 FI Annotated Anodyne COCC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790300 FI Annotated Anodyne COCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790301 FI Annotated Anodyne COCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790302 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccccc32)N1 ZINC000587790333 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccccc32)N1 ZINC000587790343 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccccc32)N1 ZINC000587790347 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccccc32)N1 ZINC000587790350 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]ncc23)N1 ZINC000587790416 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]ncc23)N1 ZINC000587790418 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]ncc23)N1 ZINC000587790420 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]ncc23)N1 ZINC000587790422 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2n[nH]c3ccccc23)N1 ZINC000587790468 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2n[nH]c3ccccc23)N1 ZINC000587790471 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2n[nH]c3ccccc23)N1 ZINC000587790473 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2n[nH]c3ccccc23)N1 ZINC000587790474 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587790623 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587790624 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587790625 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2C(C)(C)C)N1 ZINC000587790626 FI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587791078 FI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587791082 FI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587791084 FI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587791087 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c[nH]nc23)N1 ZINC000587791619 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c[nH]nc23)N1 ZINC000587791622 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c[nH]nc23)N1 ZINC000587791625 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c[nH]nc23)N1 ZINC000587791627 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3[nH]ncc23)N1 ZINC000587791642 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3[nH]ncc23)N1 ZINC000587791644 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3[nH]ncc23)N1 ZINC000587791647 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3[nH]ncc23)N1 ZINC000587791649 FI Annotated Anodyne COCCC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587791927 FI Annotated Anodyne COCCC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587791928 FI Annotated Anodyne COCCC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587791929 FI Annotated Anodyne COCCC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587791930 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2n[nH]c3ccccc23)N1 ZINC000587792194 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2n[nH]c3ccccc23)N1 ZINC000587792196 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2n[nH]c3ccccc23)N1 ZINC000587792198 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2n[nH]c3ccccc23)N1 ZINC000587792200 FI Annotated Anodyne Cc1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 ZINC000587792267 FI Annotated Anodyne Cc1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 ZINC000587792269 FI Annotated Anodyne Cc1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 ZINC000587792270 FI Annotated Anodyne Cc1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n[nH]c12 ZINC000587792271 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccccc23)N1 ZINC000587792272 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccccc23)N1 ZINC000587792273 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccccc23)N1 ZINC000587792274 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccccc23)N1 ZINC000587792276 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587792278 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587792282 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587792284 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587792287 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ncccc23)N1 ZINC000587792437 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ncccc23)N1 ZINC000587792438 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ncccc23)N1 ZINC000587792440 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ncccc23)N1 ZINC000587792442 FI Annotated Anodyne C=Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587792527 FI Annotated Anodyne C=Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587792528 FI Annotated Anodyne C=Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587792529 FI Annotated Anodyne C=Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587792530 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792553 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792554 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792556 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792558 FI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792560 FI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792568 FI Annotated Anodyne CCc1noc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792570 FI Annotated Anodyne CCc1noc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792572 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3c[nH]cc32)N1 ZINC000587792631 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3c[nH]cc32)N1 ZINC000587792632 FI Annotated Anodyne COC[C@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792633 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3c[nH]cc32)N1 ZINC000587792634 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3c[nH]cc32)N1 ZINC000587792635 FI Annotated Anodyne COC[C@@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792642 FI Annotated Anodyne COC[C@@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792644 FI Annotated Anodyne COC[C@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792646 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587792774 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587792777 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587792779 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OC(C)(C)C)N1 ZINC000587792780 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c[nH]nc23)N1 ZINC000587793016 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c[nH]nc23)N1 ZINC000587793017 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c[nH]nc23)N1 ZINC000587793019 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c[nH]nc23)N1 ZINC000587793021 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3n2)N1 ZINC000587793134 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3n2)N1 ZINC000587793136 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3n2)N1 ZINC000587793137 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3n2)N1 ZINC000587793139 FI Annotated Anodyne COCCC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587793564 FI Annotated Anodyne COCCC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587793565 FI Annotated Anodyne COCCC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587793567 FI Annotated Anodyne COCCC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587793568 FI Annotated Anodyne CCC[C@]1(C2CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793763 FI Annotated Anodyne CCC[C@]1(C2CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793764 FI Annotated Anodyne CCC[C@@]1(C2CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793766 FI Annotated Anodyne CCC[C@@]1(C2CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793768 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587793778 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587793780 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587793782 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587793783 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793851 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793852 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793854 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793856 FI Annotated Anodyne CCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793982 FI Annotated Anodyne CCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793988 FI Annotated Anodyne CCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793989 FI Annotated Anodyne CCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793993 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794033 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794034 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794036 FI Annotated Anodyne Cc1c[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794038 FI Annotated Anodyne Cc1[nH]c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794205 FI Annotated Anodyne Cc1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794209 FI Annotated Anodyne Cc1[nH]c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794211 FI Annotated Anodyne Cc1[nH]c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587794214 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccccc23)N1 ZINC000587794272 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccccc23)N1 ZINC000587794273 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccccc23)N1 ZINC000587794274 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccccc23)N1 ZINC000587794275 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3n[nH]cc3c2)N1 ZINC000587794300 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3n[nH]cc3c2)N1 ZINC000587794301 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3n[nH]cc3c2)N1 ZINC000587794302 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3n[nH]cc3c2)N1 ZINC000587794303 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587794336 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587794337 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587794338 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587794339 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ncccc23)N1 ZINC000587794351 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ncccc23)N1 ZINC000587794354 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ncccc23)N1 ZINC000587794356 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ncccc23)N1 ZINC000587794358 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1OC ZINC000587794419 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1OC ZINC000587794541 FI Annotated Anodyne COCC[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794738 FI Annotated Anodyne COCC[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794739 FI Annotated Anodyne COCC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794741 FI Annotated Anodyne COCC[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794744 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3c[nH]cc32)N1 ZINC000587795474 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3c[nH]cc32)N1 ZINC000587795476 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3c[nH]cc32)N1 ZINC000587795478 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3c[nH]cc32)N1 ZINC000587795480 FI Annotated Anodyne Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587795489 FI Annotated Anodyne Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587795491 FI Annotated Anodyne Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587795492 FI Annotated Anodyne Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587795494 FI Annotated Anodyne C#CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795608 FI Annotated Mild C#CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795609 FI Annotated Mild C#CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795610 FI Annotated Mild C#CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795611 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c[nH]nc3c2)N1 ZINC000587795712 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c[nH]nc3c2)N1 ZINC000587795716 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c[nH]nc3c2)N1 ZINC000587795718 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c[nH]nc3c2)N1 ZINC000587795721 FI Annotated Anodyne CCOC(=O)CCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795772 FI Annotated Anodyne CCOC(=O)CCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795773 FI Annotated Anodyne CCOC(=O)CCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795775 FI Annotated Anodyne CCOC(=O)CCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795777 FI Annotated Anodyne CCCCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587796052 FI Annotated Anodyne CCCCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587796053 FI Annotated Anodyne CCCCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587796054 FI Annotated Anodyne CCCCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587796055 FI Annotated Anodyne COC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796289 FI Annotated Anodyne COC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796293 FI Annotated Anodyne COC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796295 FI Annotated Anodyne COC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796296 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796309 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796310 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796311 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796312 FI Annotated Anodyne COCC[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587796430 FI Annotated Anodyne COCC[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587796432 FI Annotated Anodyne COCC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587796434 FI Annotated Anodyne COCC[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587796436 FI Annotated Anodyne CCCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796475 FI Annotated Anodyne CCCC[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796476 FI Annotated Anodyne CCCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796477 FI Annotated Anodyne CCCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796478 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587796608 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587796609 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587796610 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587796611 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)NC(C)(C)C2)N1 ZINC000587796616 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)NC(C)(C)C2)N1 ZINC000587796617 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccccc2)N1 ZINC000587796680 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccccc2)N1 ZINC000587796681 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccccc2)N1 ZINC000587796682 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccccc2)N1 ZINC000587796683 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587796785 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587796787 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587796789 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587796791 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3[nH]ncc23)N1 ZINC000587797320 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3[nH]ncc23)N1 ZINC000587797321 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3[nH]ncc23)N1 ZINC000587797323 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3[nH]ncc23)N1 ZINC000587797324 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2NCC3)N1 ZINC000587797358 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2NCC3)N1 ZINC000587797360 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2NCC3)N1 ZINC000587797362 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2NCC3)N1 ZINC000587797364 FI Annotated Anodyne COCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797532 FI Annotated Anodyne COCC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797533 FI Annotated Anodyne COCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797534 FI Annotated Anodyne COCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797535 FI Annotated Anodyne CC(C)COCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797599 FI Annotated Anodyne CC(C)COCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797600 FI Annotated Anodyne CC(C)COCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797601 FI Annotated Anodyne CC(C)COCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797602 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc(Br)c3[nH]2)c1OC ZINC000587797725 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2)N1 ZINC000587797808 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2)N1 ZINC000587797809 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2)N1 ZINC000587797810 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2)N1 ZINC000587797811 FI Annotated Anodyne COC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797856 FI Annotated Anodyne COC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797857 FI Annotated Anodyne COC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797858 FI Annotated Anodyne COC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797859 FI Annotated Anodyne CC(C)COCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798079 FI Annotated Anodyne CC(C)COCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798082 FI Annotated Anodyne CC(C)COCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798085 FI Annotated Anodyne CC(C)COCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798086 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c[nH]nc3c2)N1 ZINC000587798162 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c[nH]nc3c2)N1 ZINC000587798164 FI Annotated Anodyne COC[C@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798204 FI Annotated Anodyne COC[C@@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798205 FI Annotated Anodyne COC[C@@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798206 FI Annotated Anodyne COC[C@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798207 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798264 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798265 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798266 FI Annotated Anodyne CC[C@H](C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798267 FI Annotated Anodyne C#CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798288 FI Annotated Mild C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798289 FI Annotated Mild C#CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798290 FI Annotated Mild C#CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798291 FI Annotated Mild COc1ccc(OC)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1OC ZINC000587798341 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587798386 FI Annotated Anodyne CC(C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587798387 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587798388 FI Annotated Anodyne CC(C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587798389 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c[nH]nc3c2)N1 ZINC000587798628 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c[nH]nc3c2)N1 ZINC000587798629 FI Annotated Anodyne Cc1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 ZINC000587798674 FI Annotated Anodyne Cc1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 ZINC000587798675 FI Annotated Anodyne Cc1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 ZINC000587798676 FI Annotated Anodyne Cc1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n[nH]c12 ZINC000587798677 FI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587798682 FI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587798683 FI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587798684 FI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587798685 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccccc32)N1 ZINC000587798686 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccccc32)N1 ZINC000587798687 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccccc32)N1 ZINC000587798688 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccccc32)N1 ZINC000587798689 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]ncc23)N1 ZINC000587798694 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]ncc23)N1 ZINC000587798695 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]ncc23)N1 ZINC000587798696 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]ncc23)N1 ZINC000587798697 FI Annotated Anodyne CCc1noc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798766 FI Annotated Anodyne CCc1noc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798768 FI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798770 FI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798772 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1OC ZINC000587798862 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587799045 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587799046 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587799047 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c[nH]nc3c2)N1 ZINC000587799048 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c[nH]nc23)N1 ZINC000587799049 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c[nH]nc23)N1 ZINC000587799050 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c[nH]nc23)N1 ZINC000587799051 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c[nH]nc23)N1 ZINC000587799052 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)NC(C)(C)C2)N1 ZINC000587799097 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)NC(C)(C)C2)N1 ZINC000587799099 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587799101 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587799103 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587799105 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]ncc3c2)N1 ZINC000587799106 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3n2)N1 ZINC000587799315 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3n2)N1 ZINC000587799317 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3n2)N1 ZINC000587799319 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3n2)N1 ZINC000587799321 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(Br)cc3[nH]2)c1OC ZINC000587799368 FI Annotated Anodyne CCC[C@]1(C2CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799434 FI Annotated Anodyne CCC[C@]1(C2CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799435 FI Annotated Anodyne CCC[C@@]1(C2CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799436 FI Annotated Anodyne CCC[C@@]1(C2CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799437 FI Annotated Anodyne CCOC1=C[C@@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799762 FI Annotated Anodyne CCOC1=C[C@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799763 FI Annotated Anodyne CCOC1=C[C@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799764 FI Annotated Anodyne CCOC1=C[C@@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799765 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3n[nH]cc3c2)N1 ZINC000587799780 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3n[nH]cc3c2)N1 ZINC000587799781 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3n[nH]cc3c2)N1 ZINC000587799782 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3n[nH]cc3c2)N1 ZINC000587799783 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587799790 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587799791 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587799792 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)n[nH]2)N1 ZINC000587799793 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587800110 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587800111 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587800112 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587800113 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587800114 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587800115 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587800116 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587800117 FI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587800130 FI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587800131 FI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587800132 FI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587800133 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3[nH]ccc23)N1 ZINC000587800158 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3[nH]ccc23)N1 ZINC000587800159 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3[nH]ccc23)N1 ZINC000587800160 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3[nH]ccc23)N1 ZINC000587800161 FI Annotated Anodyne CCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800232 FI Annotated Anodyne CCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800233 FI Annotated Anodyne CCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800234 FI Annotated Anodyne CCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800235 FI Annotated Anodyne CCOC(=O)CCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800488 FI Annotated Anodyne CCOC(=O)CCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800489 FI Annotated Anodyne CCOC(=O)CCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800490 FI Annotated Anodyne CCOC(=O)CCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800491 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccncc3[nH]2)N1 ZINC000587800555 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccncc3[nH]2)N1 ZINC000587800557 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccncc3[nH]2)N1 ZINC000587800559 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccncc3[nH]2)N1 ZINC000587800561 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccncc23)N1 ZINC000587800592 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccncc23)N1 ZINC000587800594 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccncc23)N1 ZINC000587800596 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccncc23)N1 ZINC000587800598 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800610 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800613 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800615 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800617 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cnccc3[nH]2)N1 ZINC000587800619 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cnccc3[nH]2)N1 ZINC000587800621 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cnccc3[nH]2)N1 ZINC000587800623 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cnccc3[nH]2)N1 ZINC000587800625 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COCc2ccccc2)N1 ZINC000587800710 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COCc2ccccc2)N1 ZINC000587800712 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COCc2ccccc2)N1 ZINC000587800714 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COCc2ccccc2)N1 ZINC000587800716 FI Annotated Anodyne CCOC1=C(C)[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800744 FI Annotated Anodyne CCOC1=C(C)[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800746 FI Annotated Anodyne CCOC1=C(C)[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800748 FI Annotated Anodyne CCOC1=C(C)[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800750 FI Annotated Anodyne CCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800752 FI Annotated Anodyne CCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800753 FI Annotated Anodyne CCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800754 FI Annotated Anodyne CCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800755 FI Annotated Anodyne CCCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800806 FI Annotated Anodyne CCCC[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800807 FI Annotated Anodyne CCCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800808 FI Annotated Anodyne CCCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800809 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nc[nH]c3c2)N1 ZINC000587801023 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nc[nH]c3c2)N1 ZINC000587801024 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nc[nH]c3c2)N1 ZINC000587801025 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nc[nH]c3c2)N1 ZINC000587801026 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801067 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801068 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801069 FI Annotated Anodyne Cc1cc2c([nH]1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801070 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587801215 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587801216 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587801217 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587801218 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc[nH]c3n2)N1 ZINC000587801243 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc[nH]c3n2)N1 ZINC000587801244 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc[nH]c3n2)N1 ZINC000587801245 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc[nH]c3n2)N1 ZINC000587801246 FI Annotated Anodyne Cc1c[nH]c2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801251 FI Annotated Anodyne Cc1c[nH]c2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801252 FI Annotated Anodyne Cc1c[nH]c2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801253 FI Annotated Anodyne Cc1c[nH]c2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801254 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nc[nH]c23)N1 ZINC000587801255 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nc[nH]c23)N1 ZINC000587801256 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nc[nH]c23)N1 ZINC000587801257 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nc[nH]c23)N1 ZINC000587801258 FI Annotated Anodyne CCOC1=C(C)[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801373 FI Annotated Anodyne CCOC1=C(C)[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801374 FI Annotated Anodyne CCOC1=C(C)[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801375 FI Annotated Anodyne CCOC1=C(C)[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801376 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nccc-3c2)N1 ZINC000587801407 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nccc-3c2)N1 ZINC000587801408 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nccc-3c2)N1 ZINC000587801409 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nccc-3c2)N1 ZINC000587801410 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccnc23)N1 ZINC000587801447 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccnc23)N1 ZINC000587801448 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccnc23)N1 ZINC000587801449 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccnc23)N1 ZINC000587801450 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3[nH]2)N1 ZINC000587801463 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3[nH]2)N1 ZINC000587801464 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3[nH]2)N1 ZINC000587801465 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3[nH]2)N1 ZINC000587801466 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccncc23)N1 ZINC000587801483 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccncc23)N1 ZINC000587801484 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccncc23)N1 ZINC000587801485 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccncc23)N1 ZINC000587801486 FI Annotated Anodyne COCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801517 FI Annotated Anodyne COCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801518 FI Annotated Anodyne COCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801519 FI Annotated Anodyne COCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801520 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccnc3[nH]2)N1 ZINC000587801611 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccnc3[nH]2)N1 ZINC000587801612 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccnc3[nH]2)N1 ZINC000587801613 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccnc3[nH]2)N1 ZINC000587801614 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ncccc23)N1 ZINC000587801647 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ncccc23)N1 ZINC000587801649 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ncccc23)N1 ZINC000587801651 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ncccc23)N1 ZINC000587801653 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncccc23)N1 ZINC000587801670 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncccc23)N1 ZINC000587801671 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncccc23)N1 ZINC000587801672 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncccc23)N1 ZINC000587801673 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccncc23)N1 ZINC000587801681 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccncc23)N1 ZINC000587801684 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccncc23)N1 ZINC000587801686 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccncc23)N1 ZINC000587801688 FI Annotated Anodyne COCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801696 FI Annotated Anodyne COCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801698 FI Annotated Anodyne COCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801699 FI Annotated Anodyne COCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801701 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3[nH]2)N1 ZINC000587801738 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncccc3[nH]2)N1 ZINC000587801739 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3[nH]2)N1 ZINC000587801740 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncccc3[nH]2)N1 ZINC000587801741 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cc[nH]c3c2)N1 ZINC000587801742 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3cc[nH]c3c2)N1 ZINC000587801743 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cc[nH]c3c2)N1 ZINC000587801744 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3cc[nH]c3c2)N1 ZINC000587801745 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncccc23)N1 ZINC000587801935 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncccc23)N1 ZINC000587801936 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncccc23)N1 ZINC000587801937 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncccc23)N1 ZINC000587801938 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587801975 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587801976 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587801977 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587801978 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COCc2ccccc2)N1 ZINC000587802033 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COCc2ccccc2)N1 ZINC000587802034 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COCc2ccccc2)N1 ZINC000587802035 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COCc2ccccc2)N1 ZINC000587802036 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587802175 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587802176 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587802177 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc[nH]c3c2)N1 ZINC000587802178 FI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802179 FI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802180 FI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802181 FI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802182 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cnccc23)N1 ZINC000587802183 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cnccc23)N1 ZINC000587802184 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cnccc23)N1 ZINC000587802185 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cnccc23)N1 ZINC000587802186 FI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802311 FI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802312 FI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802313 FI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802314 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587802315 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587802316 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587802317 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587802318 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3[nH]2)N1 ZINC000587802347 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncccc3[nH]2)N1 ZINC000587802348 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3[nH]2)N1 ZINC000587802349 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncccc3[nH]2)N1 ZINC000587802350 FI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802371 FI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802372 FI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802373 FI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802374 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802375 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802376 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802377 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587802378 FI Annotated Anodyne COCc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802459 FI Annotated Anodyne COCc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802460 FI Annotated Anodyne COCc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802461 FI Annotated Anodyne COCc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587802462 FI Annotated Anodyne CCOC1=C[C@@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802679 FI Annotated Anodyne CCOC1=C[C@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802680 FI Annotated Anodyne CCOC1=C[C@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802681 FI Annotated Anodyne CCOC1=C[C@@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802682 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587802782 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587802786 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587802791 FI Annotated Anodyne Cc1ccnc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587802795 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccncc3[nH]2)N1 ZINC000587802799 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccncc3[nH]2)N1 ZINC000587802802 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccncc3[nH]2)N1 ZINC000587802805 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccncc3[nH]2)N1 ZINC000587802808 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc[nH]c3n2)N1 ZINC000587802960 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc[nH]c3n2)N1 ZINC000587802961 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc[nH]c3n2)N1 ZINC000587802965 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc[nH]c3n2)N1 ZINC000587802966 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nc[nH]c3c2)N1 ZINC000587803364 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nc[nH]c3c2)N1 ZINC000587803365 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nc[nH]c3c2)N1 ZINC000587803366 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nc[nH]c3c2)N1 ZINC000587803368 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803460 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803463 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803464 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803465 FI Annotated Anodyne COCc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803845 FI Annotated Anodyne COCc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803846 FI Annotated Anodyne COCc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803848 FI Annotated Anodyne COCc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803850 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3[nH]ccc23)N1 ZINC000587803862 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3[nH]ccc23)N1 ZINC000587803870 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3[nH]ccc23)N1 ZINC000587803878 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3[nH]ccc23)N1 ZINC000587803886 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc3cc[nH]c23)N1 ZINC000587803935 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc3cc[nH]c23)N1 ZINC000587803936 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc3cc[nH]c23)N1 ZINC000587803937 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc3cc[nH]c23)N1 ZINC000587803938 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587804016 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587804017 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587804018 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3nccc-3c2)N1 ZINC000587804019 FI Annotated Anodyne CCCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804258 FI Annotated Anodyne CCCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804260 FI Annotated Anodyne CCCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804261 FI Annotated Anodyne CCCC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804263 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804298 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804299 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804300 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804301 FI Annotated Anodyne Cc1c[nH]c2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804481 FI Annotated Anodyne Cc1c[nH]c2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804482 FI Annotated Anodyne Cc1c[nH]c2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804483 FI Annotated Anodyne Cc1c[nH]c2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804484 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804485 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804486 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804487 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804488 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587804501 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587804502 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587804504 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3[nH]2)N1 ZINC000587804506 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804513 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804514 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804515 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cccnc23)N1 ZINC000587804516 FI Annotated Anodyne COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804558 FI Annotated Anodyne COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804560 FI Annotated Anodyne COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804562 FI Annotated Anodyne COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804564 FI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587804609 FI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587804614 FI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587804618 FI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587804622 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804633 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804640 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804644 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804647 FI Annotated Anodyne CCOC[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804660 FI Annotated Anodyne CCOC[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804663 FI Annotated Anodyne CCOC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804666 FI Annotated Anodyne CCOC[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804670 FI Annotated Anodyne COc1ccc(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805066 FI Annotated Anodyne COc1ccc(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805070 FI Annotated Anodyne COc1ccc(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805072 FI Annotated Anodyne COc1ccc(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587805074 FI Annotated Anodyne COc1ccccc1C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805076 FI Annotated Anodyne COc1ccccc1C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805078 FI Annotated Anodyne COc1ccccc1C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805079 FI Annotated Anodyne COc1ccccc1C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805081 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ncccc23)N1 ZINC000587805197 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ncccc23)N1 ZINC000587805198 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ncccc23)N1 ZINC000587805199 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ncccc23)N1 ZINC000587805200 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccncc23)N1 ZINC000587805242 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccncc23)N1 ZINC000587805245 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccncc23)N1 ZINC000587805250 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccncc23)N1 ZINC000587805253 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccnc3[nH]2)N1 ZINC000587805373 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccnc3[nH]2)N1 ZINC000587805374 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccnc3[nH]2)N1 ZINC000587805375 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccnc3[nH]2)N1 ZINC000587805376 FI Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805443 FI Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805444 FI Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805445 FI Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805446 FI Annotated Anodyne COC(=O)CCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805586 FI Annotated Anodyne COC(=O)CCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805587 FI Annotated Anodyne COC(=O)CCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805588 FI Annotated Anodyne COC(=O)CCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805590 FI Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805812 FI Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805815 FI Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805818 FI Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805819 FI Annotated Anodyne CCCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806046 FI Annotated Anodyne CCCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806047 FI Annotated Anodyne CCCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806049 FI Annotated Anodyne CCCC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806050 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3[nH]2)N1 ZINC000587806111 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3[nH]2)N1 ZINC000587806113 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3[nH]2)N1 ZINC000587806116 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3[nH]2)N1 ZINC000587806117 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806134 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806135 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806136 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806137 FI Annotated Anodyne COc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806587 FI Annotated Anodyne COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806588 FI Annotated Anodyne COc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806589 FI Annotated Anodyne COc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806591 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587806823 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587806824 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587806825 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([nH]2)CCCC3)N1 ZINC000587806826 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587806860 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587806861 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587806862 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587806863 FI Annotated Anodyne CC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806878 FI Annotated Anodyne CC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806880 FI Annotated Anodyne CC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806881 FI Annotated Anodyne CC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806882 FI Annotated Anodyne COC1(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587806889 FI Annotated Anodyne COC1(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587806891 FI Annotated Anodyne COC1(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587806892 FI Annotated Anodyne COC1(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587806893 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cc[nH]c3c2)N1 ZINC000587806938 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3cc[nH]c3c2)N1 ZINC000587806941 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cc[nH]c3c2)N1 ZINC000587806944 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3cc[nH]c3c2)N1 ZINC000587806945 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807178 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807181 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807183 FI Annotated Anodyne CC[C@H](CCC(=O)OC)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807185 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807199 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807202 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807205 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807207 FI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587807453 FI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587807454 FI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587807455 FI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587807456 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nccc-3c2)N1 ZINC000587807504 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nccc-3c2)N1 ZINC000587807508 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nccc-3c2)N1 ZINC000587807510 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nccc-3c2)N1 ZINC000587807512 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587807515 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587807516 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587807519 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587807521 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c3nccc2-3)N1 ZINC000587807522 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587807523 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587807524 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587807526 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cnccc23)N1 ZINC000587807616 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cnccc23)N1 ZINC000587807626 FI Annotated Anodyne COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807631 FI Annotated Anodyne COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807632 FI Annotated Anodyne COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807633 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cnccc23)N1 ZINC000587807634 FI Annotated Anodyne COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807635 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cnccc23)N1 ZINC000587807639 FI Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807713 FI Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807715 FI Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807716 FI Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807719 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc3cc[nH]c23)N1 ZINC000587807776 FI Annotated Anodyne COc1ccccc1C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807777 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc3cc[nH]c23)N1 ZINC000587807778 FI Annotated Anodyne COc1ccccc1C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807779 FI Annotated Anodyne COc1ccccc1C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807780 FI Annotated Anodyne COc1ccccc1C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807781 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc3cc[nH]c23)N1 ZINC000587807782 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc3cc[nH]c23)N1 ZINC000587807783 FI Annotated Anodyne C=C(C)CO[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807894 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807895 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807896 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807897 FI Annotated Mild CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587807906 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587807907 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587807908 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587807909 FI Annotated Anodyne CO[C@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587807910 FI Annotated Anodyne CO[C@]1(C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587807911 FI Annotated Anodyne CO[C@]1(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587807912 FI Annotated Anodyne CO[C@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587807913 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587807926 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587807927 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587807928 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587807929 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cnccc3[nH]2)N1 ZINC000587808324 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cnccc3[nH]2)N1 ZINC000587808325 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cnccc3[nH]2)N1 ZINC000587808326 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cnccc3[nH]2)N1 ZINC000587808327 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587808368 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587808369 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587808370 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(C)(C)C)N1 ZINC000587808371 FI Annotated Anodyne C=C(C)CO[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808439 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808441 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808443 FI Annotated Mild C=C(C)CO[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808445 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(OC(C)(C)C)C2)N1 ZINC000587808477 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nc[nH]c23)N1 ZINC000587808505 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nc[nH]c23)N1 ZINC000587808508 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nc[nH]c23)N1 ZINC000587808511 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nc[nH]c23)N1 ZINC000587808514 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(OC(C)(C)C)C2)N1 ZINC000587808559 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccnc23)N1 ZINC000587808574 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccnc23)N1 ZINC000587808577 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccnc23)N1 ZINC000587808581 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccnc23)N1 ZINC000587808585 FI Annotated Anodyne COc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808940 FI Annotated Anodyne COc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808941 FI Annotated Anodyne COc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808942 FI Annotated Anodyne COc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808943 FI Annotated Anodyne COc1ccc(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809013 FI Annotated Anodyne COc1ccc(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809016 FI Annotated Anodyne COc1ccc(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809018 FI Annotated Anodyne COc1ccc(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809020 FI Annotated Anodyne C#C[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809328 FI Annotated Mild C#C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809329 FI Annotated Mild C#C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809330 FI Annotated Mild C#C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809331 FI Annotated Mild CCOC[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809384 FI Annotated Anodyne CCOC[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809388 FI Annotated Anodyne CCOC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809391 FI Annotated Anodyne CCOC[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809394 FI Annotated Anodyne COC(=O)CCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809533 FI Annotated Anodyne COC(=O)CCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809536 FI Annotated Anodyne COC(=O)CCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809540 FI Annotated Anodyne COC(=O)CCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809544 FI Annotated Anodyne CO[C@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587809617 FI Annotated Anodyne CO[C@]1(C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587809622 FI Annotated Anodyne CO[C@]1(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587809628 FI Annotated Anodyne CO[C@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587809632 FI Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810239 FI Annotated Anodyne CC(C)C(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810241 FI Annotated Anodyne CC(C)C(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810242 FI Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810245 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810564 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810568 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810570 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810573 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810721 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810722 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810725 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(C)(C)C)N1 ZINC000587810727 FI Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810733 FI Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810735 FI Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810737 FI Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810739 FI Annotated Anodyne COc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810948 FI Annotated Anodyne COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810950 FI Annotated Anodyne COc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810952 FI Annotated Anodyne COc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810953 FI Annotated Anodyne CCOC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811146 FI Annotated Anodyne CCOC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811148 FI Annotated Anodyne CCO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811189 FI Annotated Anodyne CCO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811190 FI Annotated Anodyne CCO[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811192 FI Annotated Anodyne CCO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811194 FI Annotated Anodyne CC(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811837 FI Annotated Anodyne CC(=O)C[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811840 FI Annotated Anodyne CC(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811841 FI Annotated Anodyne CC(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811844 FI Annotated Anodyne COC1(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587812031 FI Annotated Anodyne COC1(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587812032 FI Annotated Anodyne COC1(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587812034 FI Annotated Anodyne COC1(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587812036 FI Annotated Anodyne COc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812220 FI Annotated Anodyne COc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812221 FI Annotated Anodyne COc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812222 FI Annotated Anodyne COc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812223 FI Annotated Anodyne CC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812262 FI Annotated Anodyne CC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812263 FI Annotated Anodyne CC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812265 FI Annotated Anodyne CC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812267 FI Annotated Anodyne CCO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812494 FI Annotated Anodyne CCO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812497 FI Annotated Anodyne CCO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812499 FI Annotated Anodyne CCO[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812501 FI Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812608 FI Annotated Anodyne CC(C)C(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812609 FI Annotated Anodyne CC(C)C(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812610 FI Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812611 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(OC(C)(C)C)C2)N1 ZINC000587812698 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(OC(C)(C)C)C2)N1 ZINC000587812699 FI Annotated Anodyne C#C[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812816 FI Annotated Mild C#C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812817 FI Annotated Mild C#C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812818 FI Annotated Mild C#C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812819 FI Annotated Mild CCC(=O)CC[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813072 FI Annotated Anodyne CCC(=O)CC[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813074 FI Annotated Anodyne CCC(=O)CC[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813075 FI Annotated Anodyne CCC(=O)CC[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813076 FI Annotated Anodyne CCOC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813095 FI Annotated Anodyne CCOC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813097 FI Annotated Anodyne CC(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813102 FI Annotated Anodyne CC(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813108 FI Annotated Anodyne CC(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813109 FI Annotated Anodyne CC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813111 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]2OC2CCC2)N1 ZINC000587813292 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]2OC2CCC2)N1 ZINC000587813293 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]2OC2CCC2)N1 ZINC000587813294 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]2OC2CCC2)N1 ZINC000587813295 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587813328 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587813329 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587813330 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C12CCC2 ZINC000587813331 FI Annotated Anodyne CCC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813349 FI Annotated Anodyne CCC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813351 FI Annotated Anodyne CCC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813352 FI Annotated Anodyne CCC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813356 FI Annotated Anodyne C=CCCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813617 FI Annotated Mild C=CCCO[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813619 FI Annotated Mild C=CCCO[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813621 FI Annotated Mild C=CCCO[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813622 FI Annotated Mild C#Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813673 FI Annotated Mild CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587813679 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587813680 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587813681 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C ZINC000587813682 FI Annotated Anodyne C=CCCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813694 FI Annotated Mild C=CCCO[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813696 FI Annotated Mild C#Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813706 FI Annotated Mild C#Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813708 FI Annotated Mild C#Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813710 FI Annotated Mild Cc1ccccc1C(=O)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813712 FI Annotated Anodyne C=CCCO[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813714 FI Annotated Mild C=CCCO[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813716 FI Annotated Mild Cc1ccccc1C(=O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813732 FI Annotated Anodyne Cc1ccccc1C(=O)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813734 FI Annotated Anodyne Cc1ccccc1C(=O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813737 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C=O)c2)N1 ZINC000587813779 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C=O)c2)N1 ZINC000587813781 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C=O)c2)N1 ZINC000587813783 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C=O)c2)N1 ZINC000587813785 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813826 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813827 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813829 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813830 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587813976 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587813977 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587813978 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C12CCC2 ZINC000587813979 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587813980 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587813981 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587813982 FI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587813983 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2OC2CCC2)N1 ZINC000587814024 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2OC2CCC2)N1 ZINC000587814026 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2OC2CCC2)N1 ZINC000587814029 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2OC2CCC2)N1 ZINC000587814031 FI Annotated Anodyne CC(=O)C[C@@]1(C2(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814051 FI Annotated Anodyne CC(=O)C[C@]1(C2(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814053 FI Annotated Anodyne CC(=O)C[C@@]1(C2(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814054 FI Annotated Anodyne CC(=O)C[C@]1(C2(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814055 FI Annotated Anodyne CCC(=O)CC[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814200 FI Annotated Anodyne CCC(=O)CC[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814201 FI Annotated Anodyne CCC(=O)CC[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814202 FI Annotated Anodyne CCC(=O)CC[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814203 FI Annotated Anodyne CC(=O)C[C@@]1(C2(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814286 FI Annotated Anodyne CC(=O)C[C@]1(C2(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814287 FI Annotated Anodyne CC(=O)C[C@@]1(C2(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814288 FI Annotated Anodyne CC(=O)C[C@]1(C2(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814289 FI Annotated Anodyne C#Cc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814384 FI Annotated Mild C#Cc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814385 FI Annotated Mild C#Cc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814387 FI Annotated Mild C#Cc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814388 FI Annotated Mild CCO[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587814465 FI Annotated Anodyne CCO[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587814467 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587814469 FI Annotated Anodyne CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C ZINC000587814470 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccccc2)N1 ZINC000587814672 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccccc2)N1 ZINC000587814673 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccccc2)N1 ZINC000587814674 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccccc2)N1 ZINC000587814675 FI Annotated Anodyne CC(C)CC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814858 FI Annotated Anodyne CC(C)CC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814859 FI Annotated Anodyne CC(C)CC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814860 FI Annotated Anodyne CC(C)CC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814861 FI Annotated Anodyne CC(=O)CC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814902 FI Annotated Anodyne CC(=O)CC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814903 FI Annotated Anodyne CC(=O)CC[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814905 FI Annotated Anodyne CC(=O)CC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814907 FI Annotated Anodyne CC(C)CC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814925 FI Annotated Anodyne CC(C)CC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814927 FI Annotated Anodyne CC(C)CC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814928 FI Annotated Anodyne CC(C)CC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814930 FI Annotated Anodyne CC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814960 FI Annotated Anodyne CC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814962 FI Annotated Anodyne CC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814964 FI Annotated Anodyne CC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814966 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C#Cc2ccccc2)N1 ZINC000587814968 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C#Cc2ccccc2)N1 ZINC000587814970 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C#Cc2ccccc2)N1 ZINC000587814972 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C#Cc2ccccc2)N1 ZINC000587814974 FI Annotated Mild CC(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815076 FI Annotated Anodyne CC(=O)C[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815077 FI Annotated Anodyne CC(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815078 FI Annotated Anodyne CC(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815079 FI Annotated Anodyne CC(=O)CC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815110 FI Annotated Anodyne CC(=O)CC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815111 FI Annotated Anodyne CC(=O)CC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815112 FI Annotated Anodyne CC(=O)CC[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815113 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C=O)N1 ZINC000587815198 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C=O)N1 ZINC000587815199 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C=O)N1 ZINC000587815200 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C=O)N1 ZINC000587815201 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815202 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815203 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815204 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815205 FI Annotated Anodyne CC(=O)C12CC([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 ZINC000587815344 FI Annotated Anodyne CC(=O)C12CC([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 ZINC000587815345 FI Annotated Anodyne CC(=O)C12CC([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 ZINC000587815346 FI Annotated Anodyne CC(=O)C12CC([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)(C1)C2 ZINC000587815347 FI Annotated Anodyne CC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815380 FI Annotated Anodyne CC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815381 FI Annotated Anodyne CC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815383 FI Annotated Anodyne CC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815385 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)cc2)N1 ZINC000587815454 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)cc2)N1 ZINC000587815455 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)cc2)N1 ZINC000587815500 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)cc2)N1 ZINC000587815501 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2CCC2)N1 ZINC000587815538 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CCC2)N1 ZINC000587815539 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2CCC2)N1 ZINC000587815540 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CCC2)N1 ZINC000587815541 FI Annotated Anodyne CCCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815565 FI Annotated Anodyne CCCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815566 FI Annotated Anodyne CCCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815567 FI Annotated Anodyne CCCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815569 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CCC2)N1 ZINC000587815570 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CCC2)N1 ZINC000587815572 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CCC2)N1 ZINC000587815573 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CCC2)N1 ZINC000587815574 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815579 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815580 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815581 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587815582 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)C2CC2)N1 ZINC000587815594 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)C2CC2)N1 ZINC000587815595 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)C2CC2)N1 ZINC000587815596 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)C2CC2)N1 ZINC000587815597 FI Annotated Anodyne CC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815687 FI Annotated Anodyne CC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815688 FI Annotated Anodyne CC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815689 FI Annotated Anodyne CC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815690 FI Annotated Anodyne CCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815695 FI Annotated Anodyne CCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815696 FI Annotated Anodyne CCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815697 FI Annotated Anodyne CCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815698 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C=O)c2)N1 ZINC000587815711 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C=O)c2)N1 ZINC000587815712 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C=O)c2)N1 ZINC000587815713 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C=O)c2)N1 ZINC000587815714 FI Annotated Anodyne CC(=O)C12CC([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 ZINC000587815719 FI Annotated Anodyne CC(=O)C12CC([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 ZINC000587815720 FI Annotated Anodyne CC(=O)C12CC([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 ZINC000587815721 FI Annotated Anodyne CC(=O)C12CC([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)(C1)C2 ZINC000587815722 FI Annotated Anodyne CC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815727 FI Annotated Anodyne CC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815728 FI Annotated Anodyne CC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815729 FI Annotated Anodyne CC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815730 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC=O)(C2CC2)N1 ZINC000587815779 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC=O)(C2CC2)N1 ZINC000587815780 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC=O)(C2CC2)N1 ZINC000587815781 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC=O)(C2CC2)N1 ZINC000587815782 FI Annotated Mild CCCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815915 FI Annotated Anodyne CCCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815916 FI Annotated Anodyne CCCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815917 FI Annotated Anodyne CCCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815918 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2(C)CC2)N1 ZINC000587815919 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2(C)CC2)N1 ZINC000587815920 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2(C)CC2)N1 ZINC000587815921 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2(C)CC2)N1 ZINC000587815922 FI Annotated Anodyne CCC[C@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815943 FI Annotated Anodyne CCC[C@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815944 FI Annotated Anodyne CCC[C@@]1(CC(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815945 FI Annotated Anodyne CCC[C@@]1(CC(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815946 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815971 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815972 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815973 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(C2CC2)N1 ZINC000587815974 FI Annotated Anodyne Cc1ccccc1C(=O)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816111 FI Annotated Anodyne Cc1ccccc1C(=O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816112 FI Annotated Anodyne Cc1ccccc1C(=O)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816113 FI Annotated Anodyne Cc1ccccc1C(=O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816114 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2(C)CC2)N1 ZINC000587816147 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2(C)CC2)N1 ZINC000587816148 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2(C)CC2)N1 ZINC000587816149 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2(C)CC2)N1 ZINC000587816150 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C=O)N1 ZINC000587816179 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C=O)N1 ZINC000587816180 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C=O)N1 ZINC000587816181 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C=O)N1 ZINC000587816182 FI Annotated Anodyne CC(=O)c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816215 FI Annotated Anodyne CC(=O)c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816216 FI Annotated Anodyne CC(=O)c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816217 FI Annotated Anodyne CC(=O)c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816218 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)C2CC2)N1 ZINC000587816235 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)C2CC2)N1 ZINC000587816236 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)C2CC2)N1 ZINC000587816237 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)C2CC2)N1 ZINC000587816238 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C#Cc2ccccc2)N1 ZINC000587816303 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C#Cc2ccccc2)N1 ZINC000587816304 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C#Cc2ccccc2)N1 ZINC000587816305 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C#Cc2ccccc2)N1 ZINC000587816306 FI Annotated Mild C#Cc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816315 FI Annotated Mild C#Cc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816316 FI Annotated Mild C#Cc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816317 FI Annotated Mild C#Cc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816318 FI Annotated Mild CCC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816341 FI Annotated Anodyne CCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816342 FI Annotated Anodyne CCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816343 FI Annotated Anodyne CCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816344 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccccc2)N1 ZINC000587816379 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccccc2)N1 ZINC000587816380 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccccc2)N1 ZINC000587816381 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccccc2)N1 ZINC000587816382 FI Annotated Anodyne CC(=O)c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816391 FI Annotated Anodyne CC(=O)c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816392 FI Annotated Anodyne CC(=O)c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816393 FI Annotated Anodyne CC(=O)c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816394 FI Annotated Anodyne CC(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816419 FI Annotated Anodyne CC(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816420 FI Annotated Anodyne CC(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816421 FI Annotated Anodyne CC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816422 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC=O)(C2CC2)N1 ZINC000587816463 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC=O)(C2CC2)N1 ZINC000587816464 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC=O)(C2CC2)N1 ZINC000587816465 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC=O)(C2CC2)N1 ZINC000587816466 FI Annotated Mild C#Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816537 FI Annotated Mild C#Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816538 FI Annotated Mild C#Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816540 FI Annotated Mild C#Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816541 FI Annotated Mild CC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816553 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816554 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816555 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816556 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)cc2)N1 ZINC000587816645 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)cc2)N1 ZINC000587816646 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)cc2)N1 ZINC000587816647 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)cc2)N1 ZINC000587816648 FI Annotated Anodyne C#Cc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816697 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816698 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816699 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816700 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816757 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816758 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816759 FI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816760 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2(C)C)N1 ZINC000587816947 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2(C)C)N1 ZINC000587816948 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2(C)C)N1 ZINC000587816949 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2(C)C)N1 ZINC000587816950 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587817011 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587817012 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587817013 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587817014 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817043 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817044 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817045 FI Annotated Anodyne CC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817046 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2(C)C)N1 ZINC000587817083 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2(C)C)N1 ZINC000587817084 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2(C)C)N1 ZINC000587817085 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2(C)C)N1 ZINC000587817086 FI Annotated Anodyne CC(C)[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817132 FI Annotated Anodyne CC(C)[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817134 FI Annotated Anodyne CC(C)[C@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817136 FI Annotated Anodyne CC(C)[C@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817139 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817191 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817192 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817193 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817194 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCCC2=O)N1 ZINC000587817726 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCCC2=O)N1 ZINC000587817727 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCCC2=O)N1 ZINC000587817728 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCCC2=O)N1 ZINC000587817729 FI Annotated Anodyne CC1=C[C@]2(CC(C)(C)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817730 FI Annotated Mild CC1=C[C@]2(CC(C)(C)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817731 FI Annotated Mild CC1=C[C@@]2(CC(C)(C)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817732 FI Annotated Mild CC1=C[C@@]2(CC(C)(C)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817733 FI Annotated Mild C[C@H]1CC(C)(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587817755 FI Annotated Anodyne C[C@H]1CC(C)(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587817757 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)C[C@@H](C)C2=O)N1 ZINC000587817759 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@@H](C)C2=O)N1 ZINC000587817761 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CCC2(C)C)N1 ZINC000587817855 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CCC2(C)C)N1 ZINC000587817858 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CCC2(C)C)N1 ZINC000587817861 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CCC2(C)C)N1 ZINC000587817863 FI Annotated Anodyne C[C@H]1CC(C)(C)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818430 FI Annotated Anodyne C[C@H]1CC(C)(C)CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818431 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CC(C)(C)C[C@H]2C ZINC000587818432 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CC(C)(C)C[C@H]2C ZINC000587818433 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCCC2=O)N1 ZINC000587818468 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCCCC2=O)N1 ZINC000587818469 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCCC2=O)N1 ZINC000587818470 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCCC2=O)N1 ZINC000587818471 FI Annotated Anodyne CC(C)[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818646 FI Annotated Anodyne CC(C)[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818647 FI Annotated Anodyne CC(C)[C@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818648 FI Annotated Anodyne CC(C)[C@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818649 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CCC2(C)C)N1 ZINC000587818692 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CCC2(C)C)N1 ZINC000587818693 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CCC2(C)C)N1 ZINC000587818695 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CCC2(C)C)N1 ZINC000587818696 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCCC2=O)N1 ZINC000587818850 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCCC2=O)N1 ZINC000587818851 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCCC2=O)N1 ZINC000587818852 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCCC2=O)N1 ZINC000587818853 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818944 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818945 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818946 FI Annotated Anodyne CCC[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818947 FI Annotated Anodyne CC1=CC(=O)CC(C)(C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819066 FI Annotated Mild CC1=CC(=O)CC(C)(C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819068 FI Annotated Mild CC1=CC(=O)CC(C)(C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819071 FI Annotated Mild CC1=CC(=O)CC(C)(C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819074 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](C3CC3)C2)N1 ZINC000587819212 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](C3CC3)C2)N1 ZINC000587819213 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](C3CC3)C2)N1 ZINC000587819214 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](C3CC3)C2)N1 ZINC000587819215 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccccc2)N1 ZINC000587819448 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccccc2)N1 ZINC000587819465 FI Annotated Mild Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587819485 FI Annotated Clean Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587819486 FI Annotated Clean Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587819487 FI Annotated Clean Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587819488 FI Annotated Clean C=CC[C@]1(C)C(=O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819658 FI Annotated Mild C=CC[C@]1(C)C(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819659 FI Annotated Mild C=CC[C@]1(C)C(=O)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819660 FI Annotated Mild C=CC[C@]1(C)C(=O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819661 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](C3CC3)C2)N1 ZINC000587819682 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](C3CC3)C2)N1 ZINC000587819683 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](C3CC3)C2)N1 ZINC000587819684 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](C3CC3)C2)N1 ZINC000587819685 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587819694 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587819695 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587819696 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC3(CCC3)C2)N1 ZINC000587819697 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccccc2)N1 ZINC000587819700 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccccc2)N1 ZINC000587819701 FI Annotated Mild CCCC[C@H](CO)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820153 FI Annotated Anodyne CCCC[C@H](CO)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820154 FI Annotated Anodyne CCCC[C@H](CO)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820156 FI Annotated Anodyne CCCC[C@H](CO)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820158 FI Annotated Anodyne C=CC[C@]1(C)C(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587820182 FI Annotated Mild C=CC[C@]1(C)C(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587820184 FI Annotated Mild C=CC[C@]1(C)C(=O)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587820185 FI Annotated Mild C=CC[C@]1(C)C(=O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587820187 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587820497 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587820501 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587820504 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587820508 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587820517 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 ZINC000587820527 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587820530 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587820532 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587820534 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 ZINC000587820543 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 ZINC000587820551 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 ZINC000587820553 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccccc2)N1 ZINC000587821589 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccccc2)N1 ZINC000587821590 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccccc2)N1 ZINC000587821591 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccccc2)N1 ZINC000587821593 FI Annotated Mild Cc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821780 FI Annotated Clean Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821782 FI Annotated Clean Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821784 FI Annotated Clean Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821786 FI Annotated Clean Cc1c(O)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821843 FI Annotated Anodyne Cc1c(O)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821845 FI Annotated Anodyne Cc1c(O)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821847 FI Annotated Anodyne Cc1c(O)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821849 FI Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587822186 FI Annotated Clean Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587822188 FI Annotated Clean Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587822189 FI Annotated Clean Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587822190 FI Annotated Clean C[C@H]1CC(C)(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587822267 FI Annotated Anodyne C[C@H]1CC(C)(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587822271 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)C[C@@H](C)C2=O)N1 ZINC000587822274 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@@H](C)C2=O)N1 ZINC000587822275 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822302 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822303 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822304 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822305 FI Annotated Anodyne CCc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822447 FI Annotated Clean CCc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822449 FI Annotated Clean CCc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822450 FI Annotated Clean CCc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822452 FI Annotated Clean CC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822496 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822497 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822498 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822499 FI Annotated Anodyne CC1=C[C@]2(CC(C)(C)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822504 FI Annotated Mild CC1=C[C@]2(CC(C)(C)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822505 FI Annotated Mild CC1=C[C@@]2(CC(C)(C)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822506 FI Annotated Mild CC1=C[C@@]2(CC(C)(C)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822507 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCCC2)N1 ZINC000587822536 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCCC2)N1 ZINC000587822537 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCCC2)N1 ZINC000587822538 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCCC2)N1 ZINC000587822539 FI Annotated Anodyne Cc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822591 FI Annotated Clean Cc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822592 FI Annotated Clean Cc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822593 FI Annotated Clean Cc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587822594 FI Annotated Clean Cc1c(O)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587822631 FI Annotated Anodyne Cc1c(O)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587822632 FI Annotated Anodyne Cc1c(O)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587822633 FI Annotated Anodyne Cc1c(O)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587822634 FI Annotated Anodyne C[C@H]1CC(C)(C)CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822684 FI Annotated Anodyne C[C@H]1CC(C)(C)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822685 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CC(C)(C)C[C@H]2C ZINC000587822686 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CC(C)(C)C[C@H]2C ZINC000587822687 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822882 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822883 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822884 FI Annotated Anodyne CC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822885 FI Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587823027 FI Annotated Clean Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587823030 FI Annotated Clean Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587823033 FI Annotated Clean Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587823034 FI Annotated Clean Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587823059 FI Annotated Clean Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587823060 FI Annotated Clean Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587823063 FI Annotated Clean Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587823069 FI Annotated Clean CC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823113 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823116 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823119 FI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823120 FI Annotated Anodyne CCc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823212 FI Annotated Clean CCc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823213 FI Annotated Clean CCc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823214 FI Annotated Clean CCc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823215 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587823277 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587823278 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587823279 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587823280 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587823297 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587823299 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587823300 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587823302 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823408 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823409 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823513 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823515 FI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587823620 FI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587823622 FI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587823624 FI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587823625 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587823729 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587823730 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587823731 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587823732 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823758 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823759 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823760 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)CC(C)(C)C2)N1 ZINC000587823762 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCCCC2=O)N1 ZINC000587824212 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCCC2=O)N1 ZINC000587824214 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCCCC2=O)N1 ZINC000587824215 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCCC2=O)N1 ZINC000587824216 FI Annotated Anodyne Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824233 FI Annotated Clean Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824235 FI Annotated Clean Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824236 FI Annotated Clean Cc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587824238 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCCC2)N1 ZINC000587824291 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCCC2)N1 ZINC000587824292 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCCC2)N1 ZINC000587824293 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCCC2)N1 ZINC000587824294 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587824339 FI Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587824340 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587824341 FI Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587824342 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587824347 FI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587824348 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587824349 FI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587824350 FI Annotated Anodyne Cc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587824359 FI Annotated Clean Cc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587824360 FI Annotated Clean Cc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587824361 FI Annotated Clean Cc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587824362 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587824408 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587824409 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587824410 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C(=O)C2)N1 ZINC000587824411 FI Annotated Anodyne CC1=CC(=O)CC(C)(C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824433 FI Annotated Mild CC1=CC(=O)CC(C)(C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824435 FI Annotated Mild CC1=CC(=O)CC(C)(C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824436 FI Annotated Mild CC1=CC(=O)CC(C)(C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824438 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C[C@@H]2C=O)N1 ZINC000587824501 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C[C@@H]2C=O)N1 ZINC000587824502 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C[C@H]2C=O)N1 ZINC000587824504 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C[C@H]2C=O)N1 ZINC000587824505 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C[C@@H]2C=O)N1 ZINC000587824869 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C[C@@H]2C=O)N1 ZINC000587824870 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C[C@H]2C=O)N1 ZINC000587824871 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C[C@H]2C=O)N1 ZINC000587824872 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 ZINC000587825426 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 ZINC000587825427 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 ZINC000587825428 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 ZINC000587825429 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587825468 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587825469 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587825470 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587825471 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587825472 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587825473 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587825474 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587825475 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccco2)N1 ZINC000587825516 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccco2)N1 ZINC000587825517 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccco2)N1 ZINC000587825518 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccco2)N1 ZINC000587825519 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCCC(=O)O)N1 ZINC000587825720 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCCC(=O)O)N1 ZINC000587825724 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCCC(=O)O)N1 ZINC000587825725 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCCC(=O)O)N1 ZINC000587825727 FI Annotated Anodyne CCC[C@H](O)[C@@]1(CCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826041 FI Annotated Anodyne CCC[C@H](O)[C@@]1(CCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826043 FI Annotated Anodyne CCC[C@H](O)[C@]1(CCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826044 FI Annotated Anodyne CCC[C@H](O)[C@]1(CCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826045 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587826068 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587826069 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587826072 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587826075 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587826079 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587826082 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)N1 ZINC000587826085 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C[C@H]2CCC3=O)N1 ZINC000587826090 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587826133 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587826134 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587826135 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587826136 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2)N1 ZINC000587826297 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2)N1 ZINC000587826299 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2)N1 ZINC000587826300 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2)N1 ZINC000587826302 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 ZINC000587826709 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 ZINC000587826712 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 ZINC000587826715 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 ZINC000587826718 FI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826815 FI Annotated Anodyne CCCCCC[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826818 FI Annotated Anodyne CCCCCC[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826821 FI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826824 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587826827 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587826829 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587826831 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587826834 FI Annotated Anodyne CCOCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826889 FI Annotated Anodyne CCOCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826892 FI Annotated Anodyne CCOCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826894 FI Annotated Anodyne CCOCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826896 FI Annotated Anodyne CCOCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826978 FI Annotated Anodyne CCOCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826979 FI Annotated Anodyne CCOCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826980 FI Annotated Anodyne CCOCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826981 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 ZINC000587827365 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 ZINC000587827366 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 ZINC000587827367 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 ZINC000587827368 FI Annotated Anodyne CCCC[C@H](CO)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827476 FI Annotated Anodyne CCCC[C@H](CO)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827477 FI Annotated Anodyne CCCC[C@H](CO)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827478 FI Annotated Anodyne CCCC[C@H](CO)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827479 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 ZINC000587827629 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 ZINC000587827630 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)N1 ZINC000587827631 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)N1 ZINC000587827632 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827955 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827956 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827957 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827958 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827959 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827960 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827961 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(C)(C)C)(C(=O)O)N1 ZINC000587827962 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827987 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827988 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827989 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827990 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccco2)N1 ZINC000587828430 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccco2)N1 ZINC000587828431 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccco2)N1 ZINC000587828433 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccco2)N1 ZINC000587828435 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 ZINC000587828648 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 ZINC000587828649 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 ZINC000587828651 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 ZINC000587828654 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3C2=O)N1 ZINC000587828659 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3C2=O)N1 ZINC000587828662 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3C2=O)N1 ZINC000587828665 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3C2=O)N1 ZINC000587828669 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCCC(=O)O)N1 ZINC000587828697 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCCC(=O)O)N1 ZINC000587828700 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCCC(=O)O)N1 ZINC000587828702 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCCC(=O)O)N1 ZINC000587828704 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587828735 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587828737 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587828739 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)CCC(=O)O)N1 ZINC000587828741 FI Annotated Anodyne CCC[C@H](O)[C@@]1(CCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828770 FI Annotated Anodyne CCC[C@H](O)[C@]1(CCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828772 FI Annotated Anodyne CCC[C@H](O)[C@@]1(CCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828775 FI Annotated Anodyne CCC[C@H](O)[C@]1(CCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828778 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828821 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828822 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828823 FI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828824 FI Annotated Anodyne CC(C)[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829363 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829365 FI Annotated Anodyne CC(C)[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829366 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829367 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)OC2(C)C)N1 ZINC000587829368 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)OC2(C)C)N1 ZINC000587829370 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)OC2(C)C)N1 ZINC000587829372 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)OC2(C)C)N1 ZINC000587829374 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3C2=O)N1 ZINC000587829635 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3C2=O)N1 ZINC000587829636 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3C2=O)N1 ZINC000587829637 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3C2=O)N1 ZINC000587829638 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(O)cc2)N1 ZINC000587830088 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(O)cc2)N1 ZINC000587830090 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(O)cc2)N1 ZINC000587830091 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(O)cc2)N1 ZINC000587830092 FI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830171 FI Annotated Anodyne CCCCCC[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830173 FI Annotated Anodyne CCCCCC[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830175 FI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830176 FI Annotated Anodyne Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587830228 FI Annotated Clean Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587830230 FI Annotated Clean Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587830231 FI Annotated Clean Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587830233 FI Annotated Clean Cc1cc(O)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830531 FI Annotated Anodyne Cc1cc(O)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830532 FI Annotated Anodyne Cc1cc(O)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830533 FI Annotated Anodyne Cc1cc(O)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830535 FI Annotated Anodyne CCc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830580 FI Annotated Anodyne CCc1cc(O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830581 FI Annotated Anodyne CCc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830582 FI Annotated Anodyne CCc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830584 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587830658 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587830659 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587830660 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)CC(=O)O)N1 ZINC000587830662 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(O)cc32)N1 ZINC000587830904 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(O)cc32)N1 ZINC000587830905 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(O)cc32)N1 ZINC000587830906 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(O)cc32)N1 ZINC000587830907 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(O)cccc32)N1 ZINC000587830982 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(O)cccc32)N1 ZINC000587830983 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(O)cccc32)N1 ZINC000587830984 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(O)cccc32)N1 ZINC000587830985 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587831259 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587831262 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587831265 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(C)(C)C(=O)O)N1 ZINC000587831268 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2O)N1 ZINC000587831341 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2O)N1 ZINC000587831342 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2O)N1 ZINC000587831344 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2O)N1 ZINC000587831346 FI Annotated Clean CC[C@]1(c2ccccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831401 FI Annotated Clean CC[C@]1(c2ccccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831407 FI Annotated Clean CC[C@@]1(c2ccccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831410 FI Annotated Clean CC[C@@]1(c2ccccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831413 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)ccc32)N1 ZINC000587831571 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)ccc32)N1 ZINC000587831572 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)ccc32)N1 ZINC000587831574 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)ccc32)N1 ZINC000587831575 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831647 FI Annotated Anodyne CCC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831649 FI Annotated Anodyne CCC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831650 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831651 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2CCOCC2)N1 ZINC000587831867 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2CCOCC2)N1 ZINC000587831870 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2CCOCC2)N1 ZINC000587831872 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2CCOCC2)N1 ZINC000587831876 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2CCOCC2)N1 ZINC000587831879 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2CCOCC2)N1 ZINC000587831882 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2CCOCC2)N1 ZINC000587831885 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2CCOCC2)N1 ZINC000587831888 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCO3)N1 ZINC000587831924 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCO3)N1 ZINC000587831942 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCO3)N1 ZINC000587831946 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCO3)N1 ZINC000587831949 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCC3)N1 ZINC000587832079 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCC3)N1 ZINC000587832081 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCC3)N1 ZINC000587832083 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCC3)N1 ZINC000587832085 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCC2OCCO2)N1 ZINC000587832254 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCCC2OCCO2)N1 ZINC000587832256 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCCC2OCCO2)N1 ZINC000587832258 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCCC2OCCO2)N1 ZINC000587832260 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3OC2)N1 ZINC000587832270 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccccc3OC2)N1 ZINC000587832271 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3OC2)N1 ZINC000587832273 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccccc3OC2)N1 ZINC000587832275 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832433 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832435 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832440 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832444 FI Annotated Mild CC[C@]1(c2cccc(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832561 FI Annotated Anodyne CC[C@]1(c2cccc(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832562 FI Annotated Anodyne CC[C@@]1(c2cccc(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832564 FI Annotated Anodyne CC[C@@]1(c2cccc(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832566 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2O)N1 ZINC000587832568 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2O)N1 ZINC000587832569 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2O)N1 ZINC000587832571 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2O)N1 ZINC000587832573 FI Annotated Clean CC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832574 FI Annotated Anodyne CC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832576 FI Annotated Anodyne CC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832578 FI Annotated Anodyne CC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832579 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832683 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832684 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832685 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=O)c3ccccc32)N1 ZINC000587832686 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCC2OCCO2)N1 ZINC000587832912 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCC2OCCO2)N1 ZINC000587832914 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCCC2OCCO2)N1 ZINC000587832915 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCCC2OCCO2)N1 ZINC000587832916 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2)N1 ZINC000587832988 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2)N1 ZINC000587832989 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2)N1 ZINC000587832990 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2)N1 ZINC000587832991 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 ZINC000587833078 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCO1 ZINC000587833081 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 ZINC000587833083 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCO1 ZINC000587833086 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccccc32)N1 ZINC000587833103 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccccc32)N1 ZINC000587833107 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccccc32)N1 ZINC000587833109 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccccc32)N1 ZINC000587833112 FI Annotated Anodyne CC[C@]1(c2cccc(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833256 FI Annotated Anodyne CC[C@]1(c2cccc(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833258 FI Annotated Anodyne CC[C@@]1(c2cccc(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833259 FI Annotated Anodyne CC[C@@]1(c2cccc(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833260 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCOCC2)N1 ZINC000587833350 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCOCC2)N1 ZINC000587833352 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCOCC2)N1 ZINC000587833353 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCOCC2)N1 ZINC000587833355 FI Annotated Anodyne Cc1cc(O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833420 FI Annotated Anodyne Cc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833421 FI Annotated Anodyne Cc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833423 FI Annotated Anodyne Cc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833424 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCC[C@@H]2O)N1 ZINC000587833458 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCC[C@H]2O)N1 ZINC000587833459 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCC[C@@H]2O)N1 ZINC000587833461 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCC[C@H]2O)N1 ZINC000587833462 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833467 FI Annotated Anodyne CC(C)[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833470 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833472 FI Annotated Anodyne CC(C)[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833474 FI Annotated Anodyne Cc1ccc(O)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833492 FI Annotated Anodyne Cc1ccc(O)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833494 FI Annotated Anodyne Cc1ccc(O)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833496 FI Annotated Anodyne Cc1ccc(O)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833497 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(O)cc32)N1 ZINC000587834042 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(O)cc32)N1 ZINC000587834044 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(O)cc32)N1 ZINC000587834045 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(O)cc32)N1 ZINC000587834047 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCC[C@H]2O)N1 ZINC000587834104 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCC[C@@H]2O)N1 ZINC000587834106 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCC[C@H]2O)N1 ZINC000587834107 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCC[C@@H]2O)N1 ZINC000587834109 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC3)N1 ZINC000587834203 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC3)N1 ZINC000587834204 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC3)N1 ZINC000587834205 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC3)N1 ZINC000587834206 FI Annotated Anodyne CCC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 ZINC000587834289 FI Annotated Anodyne CCC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 ZINC000587834290 FI Annotated Anodyne CCC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 ZINC000587834292 FI Annotated Anodyne CCC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 ZINC000587834294 FI Annotated Anodyne CC[C@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834337 FI Annotated Anodyne CC[C@@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834340 FI Annotated Anodyne CC[C@@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834342 FI Annotated Anodyne CC[C@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834344 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(O)c32)N1 ZINC000587834345 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(O)c32)N1 ZINC000587834347 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(O)c32)N1 ZINC000587834350 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(O)c32)N1 ZINC000587834352 FI Annotated Clean Cc1ccc(O)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834390 FI Annotated Anodyne Cc1ccc(O)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834391 FI Annotated Anodyne Cc1ccc(O)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834393 FI Annotated Anodyne Cc1ccc(O)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834395 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3occc32)N1 ZINC000587834467 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3occc32)N1 ZINC000587834468 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3occc32)N1 ZINC000587834469 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3occc32)N1 ZINC000587834470 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC23CCOCC3)N1 ZINC000587834588 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC23CCOCC3)N1 ZINC000587834593 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC23CCOCC3)N1 ZINC000587834595 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC23CCOCC3)N1 ZINC000587834597 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCOC3)CC2)N1 ZINC000587834626 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCOC3)CC2)N1 ZINC000587834628 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(O)cc2)N1 ZINC000587834631 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(O)cc2)N1 ZINC000587834633 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(O)cc2)N1 ZINC000587834635 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(O)cc2)N1 ZINC000587834637 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)ccc32)N1 ZINC000587834692 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)ccc32)N1 ZINC000587834693 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)ccc32)N1 ZINC000587834694 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)ccc32)N1 ZINC000587834695 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3occc32)N1 ZINC000587834771 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3occc32)N1 ZINC000587834772 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3occc32)N1 ZINC000587834773 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3occc32)N1 ZINC000587834774 FI Annotated Anodyne Cc1cc(O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587834804 FI Annotated Anodyne Cc1cc(O)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587834805 FI Annotated Anodyne Cc1cc(O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587834807 FI Annotated Anodyne Cc1cc(O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587834808 FI Annotated Anodyne CC[C@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834849 FI Annotated Anodyne CC[C@@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834850 FI Annotated Anodyne CC[C@@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834852 FI Annotated Anodyne CC[C@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834853 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCO3)N1 ZINC000587834899 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCO3)N1 ZINC000587834902 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCO3)N1 ZINC000587834904 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCO3)N1 ZINC000587834906 FI Annotated Anodyne Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587835108 FI Annotated Clean Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587835109 FI Annotated Clean Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587835110 FI Annotated Clean Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587835111 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(O)cccc32)N1 ZINC000587835195 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(O)cccc32)N1 ZINC000587835197 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(O)cccc32)N1 ZINC000587835199 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(O)cccc32)N1 ZINC000587835201 FI Annotated Anodyne CCC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 ZINC000587835208 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2)N1 ZINC000587835209 FI Annotated Anodyne CCC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 ZINC000587835210 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2)N1 ZINC000587835211 FI Annotated Anodyne CCC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 ZINC000587835212 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2)N1 ZINC000587835213 FI Annotated Anodyne CCC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 ZINC000587835214 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2)N1 ZINC000587835215 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCOC(C)(C)C2)N1 ZINC000587835375 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCOC(C)(C)C2)N1 ZINC000587835376 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCOC(C)(C)C2)N1 ZINC000587835377 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCOC(C)(C)C2)N1 ZINC000587835378 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(O)c32)N1 ZINC000587835402 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(O)c32)N1 ZINC000587835403 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(O)c32)N1 ZINC000587835404 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(O)c32)N1 ZINC000587835405 FI Annotated Clean CCc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835437 FI Annotated Anodyne CCc1cc(O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835438 FI Annotated Anodyne CCc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835439 FI Annotated Anodyne CCc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835440 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2)N1 ZINC000587835457 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2)N1 ZINC000587835458 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2)N1 ZINC000587835459 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2)N1 ZINC000587835460 FI Annotated Anodyne Cc1cc(O)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835499 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCOCC2)N1 ZINC000587835500 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCOCC2)N1 ZINC000587835501 FI Annotated Anodyne Cc1cc(O)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835502 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCOCC2)N1 ZINC000587835503 FI Annotated Anodyne Cc1cc(O)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835504 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCOCC2)N1 ZINC000587835505 FI Annotated Anodyne Cc1cc(O)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835506 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3OC2)N1 ZINC000587835559 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccccc3OC2)N1 ZINC000587835560 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3OC2)N1 ZINC000587835561 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccccc3OC2)N1 ZINC000587835562 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCOC(C)(C)C2)N1 ZINC000587835603 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCOC(C)(C)C2)N1 ZINC000587835604 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCOC(C)(C)C2)N1 ZINC000587835605 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCOC(C)(C)C2)N1 ZINC000587835606 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)OC2(C)C)N1 ZINC000587835633 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)OC2(C)C)N1 ZINC000587835634 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)OC2(C)C)N1 ZINC000587835635 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)OC2(C)C)N1 ZINC000587835636 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCO1 ZINC000587835673 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 ZINC000587835674 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 ZINC000587835675 FI Annotated Anodyne CC[C@@H]1C[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCO1 ZINC000587835676 FI Annotated Anodyne Cc1cc(O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587835725 FI Annotated Anodyne Cc1cc(O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587835726 FI Annotated Anodyne Cc1cc(O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587835727 FI Annotated Anodyne Cc1cc(O)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587835728 FI Annotated Anodyne Cc1cc(O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835745 FI Annotated Anodyne Cc1cc(O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835746 FI Annotated Anodyne Cc1cc(O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835747 FI Annotated Anodyne Cc1cc(O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835748 FI Annotated Anodyne CC[C@]1(c2ccccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835782 FI Annotated Clean CC[C@]1(c2ccccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835784 FI Annotated Clean CC[C@@]1(c2ccccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835786 FI Annotated Clean CC[C@@]1(c2ccccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835788 FI Annotated Clean CC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835995 FI Annotated Anodyne CC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835996 FI Annotated Anodyne CC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835998 FI Annotated Anodyne CC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836000 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC23CCOCC3)N1 ZINC000587836101 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC23CCOCC3)N1 ZINC000587836103 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC23CCOCC3)N1 ZINC000587836106 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC23CCOCC3)N1 ZINC000587836109 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836305 FI Annotated Anodyne CCC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836306 FI Annotated Anodyne CCC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836307 FI Annotated Anodyne CCC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836308 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCOC3)CC2)N1 ZINC000587836347 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCOC3)CC2)N1 ZINC000587836348 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccccc32)N1 ZINC000587836357 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccccc32)N1 ZINC000587836358 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccccc32)N1 ZINC000587836359 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccccc32)N1 ZINC000587836360 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCO3)CC2)N1 ZINC000587836553 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCO3)CC2)N1 ZINC000587836554 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCC3)N1 ZINC000587837041 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCC3)N1 ZINC000587837042 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCC3)N1 ZINC000587837043 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCC3)N1 ZINC000587837044 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC3)N1 ZINC000587837105 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC3)N1 ZINC000587837106 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC3)N1 ZINC000587837107 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC3)N1 ZINC000587837108 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@]3(C)O[C@H]32)N1 ZINC000587837605 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@@]3(C)O[C@@H]23)N1 ZINC000587837606 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@@]3(C)O[C@H]23)N1 ZINC000587837607 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)C[C@]3(C)O[C@@H]32)N1 ZINC000587837608 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCO3)CC2)N1 ZINC000587837613 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCO3)CC2)N1 ZINC000587837614 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@]3(C)O[C@H]32)N1 ZINC000587837639 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@@]3(C)O[C@@H]23)N1 ZINC000587837640 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@@]3(C)O[C@H]23)N1 ZINC000587837641 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)C[C@]3(C)O[C@@H]32)N1 ZINC000587837642 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838046 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838050 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838051 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838053 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCCO[C@@H]1C2(C)C ZINC000587840959 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCCO[C@H]1C2(C)C ZINC000587840960 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCCO[C@@H]1C2(C)C ZINC000587840961 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCCO[C@H]1C2(C)C ZINC000587840962 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccccc32)N1 ZINC000587841065 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccccc32)N1 ZINC000587841068 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccccc32)N1 ZINC000587841070 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccccc32)N1 ZINC000587841072 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccccc32)N1 ZINC000587841226 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccccc32)N1 ZINC000587841227 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccccc32)N1 ZINC000587841228 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccccc32)N1 ZINC000587841229 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2N)N1 ZINC000587841316 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2N)N1 ZINC000587841321 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2N)N1 ZINC000587841322 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2N)N1 ZINC000587841324 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCCO[C@@H]1C2(C)C ZINC000587841775 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCCO[C@H]1C2(C)C ZINC000587841776 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCCO[C@@H]1C2(C)C ZINC000587841777 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCCO[C@H]1C2(C)C ZINC000587841778 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2O)N1 ZINC000587842815 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2O)N1 ZINC000587842819 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2O)N1 ZINC000587842820 FI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2O)N1 ZINC000587842822 FI Annotated Clean COc1ccsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843642 FI Annotated Anodyne COc1ccsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843644 FI Annotated Anodyne COc1ccsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843647 FI Annotated Anodyne COc1ccsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843648 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587843855 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587843857 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587843859 FI Annotated Anodyne CCC1(CC)OC[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)O1 ZINC000587843860 FI Annotated Anodyne COc1ccsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844090 FI Annotated Anodyne COc1ccsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844092 FI Annotated Anodyne COc1ccsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844093 FI Annotated Anodyne COc1ccsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844095 FI Annotated Anodyne COc1ccsc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844167 FI Annotated Anodyne COc1ccsc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844168 FI Annotated Anodyne COc1ccsc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844169 FI Annotated Anodyne COc1ccsc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844170 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2C=O)N1 ZINC000587844410 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2C=O)N1 ZINC000587844411 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2C=O)N1 ZINC000587844412 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2C=O)N1 ZINC000587844413 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)cs2)N1 ZINC000587844561 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)cs2)N1 ZINC000587844569 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)cs2)N1 ZINC000587844571 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)cs2)N1 ZINC000587844573 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)s2)N1 ZINC000587844838 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)s2)N1 ZINC000587844839 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)s2)N1 ZINC000587844840 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)s2)N1 ZINC000587844841 FI Annotated Anodyne CC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587844842 FI Annotated Anodyne CC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587844843 FI Annotated Anodyne CC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587844844 FI Annotated Anodyne CC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587844845 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccs2)N1 ZINC000587844850 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccs2)N1 ZINC000587844851 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccs2)N1 ZINC000587844852 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccs2)N1 ZINC000587844853 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccs2)N1 ZINC000587845290 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccs2)N1 ZINC000587845292 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccs2)N1 ZINC000587845293 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccs2)N1 ZINC000587845295 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2N)N1 ZINC000587845449 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2N)N1 ZINC000587845450 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2N)N1 ZINC000587845451 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2N)N1 ZINC000587845453 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587845628 FI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587845629 FI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587845630 FI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587845631 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)s2)N1 ZINC000587845726 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)s2)N1 ZINC000587845729 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)s2)N1 ZINC000587845731 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)s2)N1 ZINC000587845733 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)s2)N1 ZINC000587845774 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C=O)s2)N1 ZINC000587845790 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)s2)N1 ZINC000587845791 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C=O)s2)N1 ZINC000587845793 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846461 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846462 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846463 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846464 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)s2)N1 ZINC000587846547 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)s2)N1 ZINC000587846549 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)s2)N1 ZINC000587846555 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)s2)N1 ZINC000587846557 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2C=O)N1 ZINC000587846671 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2C=O)N1 ZINC000587846672 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2C=O)N1 ZINC000587846673 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2C=O)N1 ZINC000587846674 FI Annotated Anodyne CC(=O)SCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846715 FI Annotated Anodyne CC(=O)SCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846716 FI Annotated Anodyne CC(=O)SCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846717 FI Annotated Anodyne CC(=O)SCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846719 FI Annotated Anodyne CCSC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846765 FI Annotated Anodyne CCSC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846767 FI Annotated Anodyne CCSC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846768 FI Annotated Anodyne CCSC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846769 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)s2)N1 ZINC000587846892 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C=O)s2)N1 ZINC000587846893 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)s2)N1 ZINC000587846894 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C=O)s2)N1 ZINC000587846895 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)s2)N1 ZINC000587846907 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)s2)N1 ZINC000587846908 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2C=O)N1 ZINC000587847002 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2C=O)N1 ZINC000587847004 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2C=O)N1 ZINC000587847005 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2C=O)N1 ZINC000587847007 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)s2)N1 ZINC000587847140 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)s2)N1 ZINC000587847141 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587847172 FI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587847174 FI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587847175 FI Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587847177 FI Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847272 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847274 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847275 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587847277 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)s2)N1 ZINC000587847621 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)s2)N1 ZINC000587847623 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)s2)N1 ZINC000587847625 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)s2)N1 ZINC000587847627 FI Annotated Mild CC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847629 FI Annotated Anodyne CC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847631 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847633 FI Annotated Anodyne CC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847634 FI Annotated Anodyne CC(=O)SCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847657 FI Annotated Anodyne CC(=O)SCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847659 FI Annotated Anodyne CC(=O)SCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847660 FI Annotated Anodyne CC(=O)SCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847662 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2O)N1 ZINC000587847852 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2O)N1 ZINC000587847853 FI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2O)N1 ZINC000587847854 FI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2O)N1 ZINC000587847855 FI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C=O)cs2)N1 ZINC000587847870 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C=O)cs2)N1 ZINC000587847871 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C=O)cs2)N1 ZINC000587847872 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C=O)cs2)N1 ZINC000587847873 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2C=O)N1 ZINC000587848124 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2C=O)N1 ZINC000587848125 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2C=O)N1 ZINC000587848126 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2C=O)N1 ZINC000587848127 FI Annotated Anodyne COc1ccsc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848140 FI Annotated Anodyne COc1ccsc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848141 FI Annotated Anodyne COc1ccsc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848142 FI Annotated Anodyne COc1ccsc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848143 FI Annotated Anodyne CCSC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848553 FI Annotated Anodyne CCSC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848555 FI Annotated Anodyne CCSC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848557 FI Annotated Anodyne CCSC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848559 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587848678 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587848679 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587848680 FI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc([N+](=O)[O-])c2)N1 ZINC000587848681 FI Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)s2)N1 ZINC000587848914 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)s2)N1 ZINC000587848915 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)s2)N1 ZINC000587848916 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)s2)N1 ZINC000587848917 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)s2)N1 ZINC000587848934 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)s2)N1 ZINC000587848935 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)s2)N1 ZINC000587848936 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)s2)N1 ZINC000587848937 FI Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848950 FI Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848951 FI Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848952 FI Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587848953 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)cs2)N1 ZINC000587849126 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)cs2)N1 ZINC000587849129 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)cs2)N1 ZINC000587849130 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)cs2)N1 ZINC000587849133 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587849334 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587849335 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587849336 FI Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])s2)N1 ZINC000587849337 FI Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C=O)cs2)N1 ZINC000587849678 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C=O)cs2)N1 ZINC000587849679 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C=O)cs2)N1 ZINC000587849680 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C=O)cs2)N1 ZINC000587849681 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)s2)N1 ZINC000587850424 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850425 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)s2)N1 ZINC000587850426 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)s2)N1 ZINC000587850428 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)s2)N1 ZINC000587850430 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850444 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850447 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850450 FI Annotated Anodyne CC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850504 FI Annotated Anodyne CC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850505 FI Annotated Anodyne CC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850506 FI Annotated Anodyne CC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850507 FI Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850645 FI Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850652 FI Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850654 FI Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C ZINC000587850655 FI Annotated Anodyne Cc1csc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850934 FI Annotated Anodyne Cc1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850935 FI Annotated Anodyne Cc1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850936 FI Annotated Anodyne Cc1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850937 FI Annotated Anodyne CCc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850938 FI Annotated Anodyne CCc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850939 FI Annotated Anodyne CCc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850940 FI Annotated Anodyne CCc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587850941 FI Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850942 FI Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850943 FI Annotated Anodyne Cc1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850944 FI Annotated Anodyne Cc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850945 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850974 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850975 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850976 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850977 FI Annotated Anodyne CC[C@@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851096 FI Annotated Anodyne CC[C@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851097 FI Annotated Anodyne CC[C@@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851098 FI Annotated Anodyne CC[C@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851099 FI Annotated Anodyne CCc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851115 FI Annotated Anodyne CCc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851116 FI Annotated Anodyne CCc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851117 FI Annotated Anodyne CCc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851118 FI Annotated Anodyne CC[C@@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851174 FI Annotated Anodyne CCc1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851175 FI Annotated Anodyne CC[C@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851176 FI Annotated Anodyne CCc1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851177 FI Annotated Anodyne CC[C@@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851178 FI Annotated Anodyne CCc1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851179 FI Annotated Anodyne CC[C@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851180 FI Annotated Anodyne CCc1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851181 FI Annotated Anodyne CCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851535 FI Annotated Anodyne CCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851538 FI Annotated Anodyne CCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851541 FI Annotated Anodyne CCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587851543 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Cl)n2)N1 ZINC000587851702 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Cl)n2)N1 ZINC000587851703 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Cl)n2)N1 ZINC000587851704 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Cl)n2)N1 ZINC000587851705 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587851742 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587851743 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587851744 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587851745 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)s2)N1 ZINC000587851824 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)s2)N1 ZINC000587851825 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)s2)N1 ZINC000587851826 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)s2)N1 ZINC000587851827 FI Annotated Anodyne Cc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851828 FI Annotated Anodyne Cc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851829 FI Annotated Anodyne Cc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851830 FI Annotated Anodyne Cc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851831 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)s2)N1 ZINC000587851836 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)s2)N1 ZINC000587851837 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Cl)s2)N1 ZINC000587851838 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Cl)s2)N1 ZINC000587851839 FI Annotated Anodyne CCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852196 FI Annotated Anodyne CCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852197 FI Annotated Anodyne CCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852198 FI Annotated Anodyne CCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852199 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587852421 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587852422 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587852423 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587852424 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852488 FI Annotated Anodyne Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852489 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852490 FI Annotated Anodyne Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852491 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)s2)N1 ZINC000587852554 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)s2)N1 ZINC000587852555 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)s2)N1 ZINC000587852556 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)s2)N1 ZINC000587852557 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)cs2)N1 ZINC000587852742 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)cs2)N1 ZINC000587852743 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)cs2)N1 ZINC000587852744 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)cs2)N1 ZINC000587852745 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccsc2)N1 ZINC000587852816 FI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccsc2)N1 ZINC000587852817 FI Annotated Mild Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587852838 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587852839 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587852840 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587852841 FI Annotated Anodyne Cc1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587852886 FI Annotated Anodyne Cc1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587852887 FI Annotated Anodyne Cc1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587852888 FI Annotated Anodyne Cc1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587852889 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccsc2)N1 ZINC000587852918 FI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccsc2)N1 ZINC000587852919 FI Annotated Mild Cc1ncsc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852992 FI Annotated Anodyne Cc1ncsc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852993 FI Annotated Anodyne Cc1ncsc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852994 FI Annotated Anodyne Cc1ncsc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852995 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccsc32)N1 ZINC000587853664 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccsc32)N1 ZINC000587853668 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccsc32)N1 ZINC000587853669 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccsc32)N1 ZINC000587853670 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3sccc32)N1 ZINC000587854538 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3sccc32)N1 ZINC000587854539 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3sccc32)N1 ZINC000587854540 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3sccc32)N1 ZINC000587854541 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scnc2Cl)N1 ZINC000587854640 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scnc2Cl)N1 ZINC000587854641 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2scnc2Cl)N1 ZINC000587854642 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2scnc2Cl)N1 ZINC000587854643 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)cs2)N1 ZINC000587854682 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)cs2)N1 ZINC000587854683 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)cs2)N1 ZINC000587854685 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)cs2)N1 ZINC000587854686 FI Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854785 FI Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854786 FI Annotated Anodyne Cc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854787 FI Annotated Anodyne Cc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587854788 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccsc2)N1 ZINC000587855043 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccsc2)N1 ZINC000587855045 FI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccsc2)N1 ZINC000587855048 FI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccsc2)N1 ZINC000587855050 FI Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(F)cn1 ZINC000587855147 FI Annotated Anodyne Cc1ncsc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855283 FI Annotated Anodyne Cc1ncsc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855285 FI Annotated Anodyne Cc1ncsc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855287 FI Annotated Anodyne Cc1ncsc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855288 FI Annotated Anodyne CCOc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855395 FI Annotated Anodyne CCOc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855396 FI Annotated Anodyne CCOc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855398 FI Annotated Anodyne CCOc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587855400 FI Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855527 FI Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855529 FI Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855531 FI Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855534 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855567 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855568 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855569 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C ZINC000587855570 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scnc2Cl)N1 ZINC000587855833 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scnc2Cl)N1 ZINC000587855836 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2scnc2Cl)N1 ZINC000587855839 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2scnc2Cl)N1 ZINC000587855842 FI Annotated Anodyne CCc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855984 FI Annotated Anodyne CCc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855985 FI Annotated Anodyne CCc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855987 FI Annotated Anodyne CCc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855988 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Cl)n2)N1 ZINC000587856060 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Cl)n2)N1 ZINC000587856062 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Cl)n2)N1 ZINC000587856063 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Cl)n2)N1 ZINC000587856064 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856104 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856105 FI Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856106 FI Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587856107 FI Annotated Anodyne CCc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856200 FI Annotated Anodyne CCc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856201 FI Annotated Anodyne CCc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856202 FI Annotated Anodyne CCc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856204 FI Annotated Anodyne CO[C@H](c1cncs1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856215 FI Annotated Anodyne CO[C@H](c1cncs1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856221 FI Annotated Anodyne CO[C@H](c1cncs1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856222 FI Annotated Anodyne CO[C@H](c1cncs1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856223 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)s2)N1 ZINC000587856238 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)s2)N1 ZINC000587856239 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Cl)s2)N1 ZINC000587856241 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Cl)s2)N1 ZINC000587856243 FI Annotated Anodyne CCc1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587856668 FI Annotated Anodyne CCc1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587856669 FI Annotated Anodyne CCc1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587856670 FI Annotated Anodyne CCc1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587856671 FI Annotated Anodyne CCOc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856740 FI Annotated Anodyne CCOc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856741 FI Annotated Anodyne CCOc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856742 FI Annotated Anodyne CCOc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856743 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(F)(F)F ZINC000587856746 FI Annotated Anodyne Cc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856764 FI Annotated Anodyne Cc1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856765 FI Annotated Anodyne Cc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856766 FI Annotated Anodyne Cc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856767 FI Annotated Anodyne CO[C@H](c1cncs1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857304 FI Annotated Anodyne CO[C@H](c1cncs1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857305 FI Annotated Anodyne CO[C@H](c1cncs1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857306 FI Annotated Anodyne CO[C@H](c1cncs1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857307 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)CCC3)N1 ZINC000587857494 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)CCC3)N1 ZINC000587857496 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)CCC3)N1 ZINC000587857498 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)CCC3)N1 ZINC000587857499 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(C)(C)C2)N1 ZINC000587857501 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(C)(C)C2)N1 ZINC000587857503 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(C)(C)C2)N1 ZINC000587857504 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(C)(C)C2)N1 ZINC000587857505 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)on1 ZINC000587857927 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCSCC2)N1 ZINC000587857987 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCSCC2)N1 ZINC000587857988 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCSCC2)N1 ZINC000587857989 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCSCC2)N1 ZINC000587857991 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCO1 ZINC000587858019 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(C)(C)C2)N1 ZINC000587858036 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(C)(C)C2)N1 ZINC000587858037 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(C)(C)C2)N1 ZINC000587858038 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(C)(C)C2)N1 ZINC000587858039 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCO1 ZINC000587858055 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858300 FI Annotated Anodyne CC(C)[C@H]1C[C@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858302 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858304 FI Annotated Anodyne CC(C)[C@H]1C[C@@]2(CS1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858305 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1OCC[C@@H]1C ZINC000587858366 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1coc(C)n1 ZINC000587858393 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccncc1 ZINC000587858399 FI Annotated Anodyne CC(C)[C@H]1C[C@@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858492 FI Annotated Anodyne CC(C)[C@@H]1C[C@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858493 FI Annotated Anodyne CC(C)[C@H]1C[C@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858494 FI Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CS1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858495 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1(C#N)CC1 ZINC000587858523 FI Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COC(C)C ZINC000587858545 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCSCC2)N1 ZINC000587858582 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCSCC2)N1 ZINC000587858583 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCSCC2)N1 ZINC000587858584 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCSCC2)N1 ZINC000587858585 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCOCC1 ZINC000587858684 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc[nH]1 ZINC000587858829 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCO ZINC000587858961 FI Annotated Anodyne C=CCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587858965 FI Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(OC)n1 ZINC000587859136 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccn1C ZINC000587859169 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCOC1 ZINC000587859255 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCOC1 ZINC000587859256 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)no1 ZINC000587859549 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ncoc1C ZINC000587859557 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3scnc32)N1 ZINC000587859576 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3scnc32)N1 ZINC000587859578 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3scnc32)N1 ZINC000587859579 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3scnc32)N1 ZINC000587859580 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc2nccn2n1 ZINC000587859731 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3sccc32)N1 ZINC000587859867 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3sccc32)N1 ZINC000587859868 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3sccc32)N1 ZINC000587859869 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3sccc32)N1 ZINC000587859870 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccsc32)N1 ZINC000587859915 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccsc32)N1 ZINC000587859916 FI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccsc32)N1 ZINC000587859917 FI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccsc32)N1 ZINC000587859918 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3scnc32)N1 ZINC000587859923 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3scnc32)N1 ZINC000587859924 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3scnc32)N1 ZINC000587859925 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3scnc32)N1 ZINC000587859926 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)CCC3)N1 ZINC000587860094 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)CCC3)N1 ZINC000587860095 FI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)CCC3)N1 ZINC000587860096 FI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)CCC3)N1 ZINC000587860097 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(O)c1 ZINC000587860232 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)cc(O)n1 ZINC000587860271 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OC)nn1 ZINC000587860402 FI Annotated Anodyne CCCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587860496 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1oc(C)nc1C#N ZINC000587860546 FI Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccn2n1 ZINC000587860558 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(F)cc1 ZINC000587860650 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1Cl ZINC000587860664 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC1CC1 ZINC000587860778 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cscn1 ZINC000587860968 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncncc1Cl ZINC000587860990 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Cl)cn1 ZINC000587861079 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)nn1 ZINC000587861109 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(C)s1 ZINC000587861149 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnc(Cl)cn1 ZINC000587861259 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(C#N)c1 ZINC000587861671 FI Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cncc(Cl)n1 ZINC000587861716 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nccs1 ZINC000587861735 FI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncs1 ZINC000587861821 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)ncn1 ZINC000587861941 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(Cl)n1 ZINC000587861963 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(F)cc(F)n1 ZINC000587862229 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)OC(C)C ZINC000587862320 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)OC(C)C ZINC000587862321 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C#N)cc1 ZINC000587862342 FI Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)o1 ZINC000587862459 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)oc1C ZINC000587862499 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C2CC2)nn1 ZINC000587862530 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000587862601 FI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc([N+](=O)[O-])c1 ZINC000587862605 FI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1ccco1 ZINC000587862615 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1cccc(C)n1 ZINC000587862699 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C(C)C ZINC000587862764 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccoc1C ZINC000587862822 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCC(C)C ZINC000587863031 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C1CC1 ZINC000587863090 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1CCC(=O)OC(C)(C)C ZINC000587863091 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(SC)ncn1 ZINC000587863310 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCC1CCC1 ZINC000587863348 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1[N+](=O)[O-] ZINC000587863397 FI Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(=O)O)cc1 ZINC000587863417 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1scnc1C ZINC000587863492 FI Annotated Anodyne CCCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863525 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC1CCCC1 ZINC000587863583 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccsc1 ZINC000587863606 FI Annotated Anodyne CCCCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863638 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H](C)C1CC1 ZINC000587863726 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@H](C)C1CC1 ZINC000587863728 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCO ZINC000587863895 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1OCC[C@@H]1C ZINC000587863910 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cncc(Cl)n1 ZINC000587863982 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncncc1Cl ZINC000587864001 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NC(C)(C)C ZINC000587864027 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)ncn1 ZINC000587864063 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccncc1 ZINC000587864146 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cn1 ZINC000587864247 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(SC)n1 ZINC000587864339 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Cl)cn1 ZINC000587864388 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)nn1 ZINC000587864455 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COC(C)C ZINC000587864507 FI Annotated Anodyne C=C(c1cnccn1)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587864583 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnc(Cl)cn1 ZINC000587864708 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccnc1 ZINC000587864746 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=N)c1ccccn1 ZINC000587864793 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccoc1 ZINC000587864859 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(C)n1 ZINC000587864964 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(F)n1 ZINC000587865038 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccco1 ZINC000587865107 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1F ZINC000587865159 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(F)c1 ZINC000587865163 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccs1 ZINC000587865171 FI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C2CC2)s1 ZINC000587865209 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccnc1Cl ZINC000587865301 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(Cl)n1 ZINC000587865339 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cc(C)n1 ZINC000587865607 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C)cc1N ZINC000587865627 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(OC)n1 ZINC000587865787 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc2c(nn1)CCC2 ZINC000587865831 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCOCC1 ZINC000587865884 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc(C)n1 ZINC000587865931 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCCOC1 ZINC000587865944 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCCOC1 ZINC000587865945 FI Annotated Anodyne C=C(C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587866018 FI Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC)cn1 ZINC000587866167 FI Annotated Anodyne CCCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587866226 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@H]1CCCC[C@H]1O ZINC000587866346 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cscn1 ZINC000587866650 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CCN(C)CC1 ZINC000587866753 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC(C)(C)C ZINC000587866788 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC1CCC1 ZINC000587866913 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nccs1 ZINC000587867043 FI Annotated Anodyne CCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587867153 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cncs1 ZINC000587867288 FI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C)s1 ZINC000587867343 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1CCCC1 ZINC000587867514 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)cn1 ZINC000587867587 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(F)cc1 ZINC000587867633 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)c(C)n1 ZINC000587867685 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(F)c1 ZINC000587867753 FI Annotated Anodyne COc1ccc(C)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867766 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Oc1ccccc1 ZINC000587867808 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2c(c1)CCC2 ZINC000587867829 FI Annotated Anodyne C=C(c1cccc(O)c1)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867937 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)nc1 ZINC000587867982 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccnc1Cl ZINC000587867986 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)c(F)c(F)c1 ZINC000587868024 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)cc(F)c1 ZINC000587868101 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)cc(F)cc1F ZINC000587868309 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)cc1F ZINC000587868325 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Cl)cc1F ZINC000587868414 FI Annotated Anodyne COc1ccccc1Cn1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868480 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(F)ccc1F ZINC000587868523 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccncc1Cl ZINC000587868595 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)c1F ZINC000587868600 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(F)c(F)c1 ZINC000587868683 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(Cl)c1 ZINC000587868688 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccccc1 ZINC000587868722 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1Cl ZINC000587868778 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2o1 ZINC000587868906 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(F)cc1F ZINC000587868938 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1F ZINC000587869009 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Cl)ccn1 ZINC000587869026 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(Cl)n1 ZINC000587869045 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(C)c1 ZINC000587869211 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc(Br)c1 ZINC000587869229 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cncc(Br)c1 ZINC000587869265 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)s1 ZINC000587869347 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1Br ZINC000587869521 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(=O)O)ccc1Cl ZINC000587869561 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)nc1 ZINC000587869572 FI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1C ZINC000587869933 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(Br)n1 ZINC000587869944 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)cn1 ZINC000587869964 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Br)ccn1 ZINC000587870116 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000587870136 FI Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 ZINC000587870145 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc(OC)cc1 ZINC000587870147 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(C)c1C ZINC000587870150 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1 ZINC000587870162 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1 ZINC000587870168 FI Annotated Anodyne C=CCOc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 ZINC000587870248 FI Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)c1ccccc1 ZINC000587870258 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2ncccc2c1 ZINC000587870282 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(CC)cc1 ZINC000587870301 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2cccnc12 ZINC000587870349 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1C ZINC000587870356 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(C)cc1C ZINC000587870445 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1CC ZINC000587870453 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(C(F)(F)F)n1 ZINC000587870475 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)c(C)c1 ZINC000587870477 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)CCC2 ZINC000587870500 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(F)cc1F ZINC000587870530 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000587870539 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000587870541 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(F)(F)F)nc1 ZINC000587870549 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(C)c1 ZINC000587870581 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)ccc1C ZINC000587870595 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1C ZINC000587870636 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnc2ccccc12 ZINC000587870651 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1F ZINC000587870674 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587870689 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1OC ZINC000587870697 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)ccn1 ZINC000587870737 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(F)c1 ZINC000587870769 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1C ZINC000587870773 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCO[C@@H]1C(C)(C)C ZINC000587870779 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2ncccc12 ZINC000587870783 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1noc2ccccc12 ZINC000587870795 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc(O)cc1 ZINC000587870823 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)cc(C)c1 ZINC000587870841 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(C)cc1 ZINC000587870850 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1c(F)cccc1F ZINC000587870888 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1 ZINC000587870893 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1C(F)(F)F ZINC000587870904 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cncc2ccccc12 ZINC000587870912 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN[C@@H](C)c1ccccc1 ZINC000587870915 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN[C@H](C)c1ccccc1 ZINC000587870916 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCNc1ccccc1 ZINC000587870937 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1c(C)cccc1C ZINC000587870949 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccc(F)cc1 ZINC000587871067 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1cc(F)cc(F)c1 ZINC000587871079 FI Annotated Anodyne CCOC(=O)c1ccc(-n2nc(-c3cccc(F)c3)cc2OCC)cc1 ZINC000587871118 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)on1 ZINC000587871136 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1F ZINC000587871192 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1F ZINC000587871193 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1O ZINC000587871198 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1Cl ZINC000587871207 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)OCc1ccc(OC)cc1 ZINC000587871268 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Cl)cc1 ZINC000587871279 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)cc(C(F)(F)F)n1 ZINC000587871329 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(F)(F)F)cn1 ZINC000587871407 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1Cl ZINC000587871414 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)ccc1O ZINC000587871520 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCc1ccc(Cl)cc1 ZINC000587871552 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1oc(C(C)(C)C)nc1C#N ZINC000587871585 FI Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccc(C)o2)n1 ZINC000587871701 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1ccccc1 ZINC000587871711 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)s1 ZINC000587871721 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccccc1 ZINC000587871812 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(OC)cc1 ZINC000587871890 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2ccccc2n1 ZINC000587871919 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1CCCCCC1 ZINC000587871967 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1CCCCCC1 ZINC000587871968 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ccccc1O ZINC000587872040 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1Cl ZINC000587872098 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)CCC2 ZINC000587872174 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c(C)csc12 ZINC000587872178 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(CC)nc1C ZINC000587872232 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ccc2ccccc21 ZINC000587872298 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc(N)ccc2o1 ZINC000587872340 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1oc(CC(C)C)nc1C#N ZINC000587872412 FI Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)cs1 ZINC000587872496 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ncoc1C(C)(C)C ZINC000587872497 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccco2)n1 ZINC000587872504 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(OC)c(OC)c1 ZINC000587872520 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(N(C)C)cc1 ZINC000587872544 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1SC ZINC000587872548 FI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncc(Br)nc3Cl)c2c1 ZINC000587872565 FI Annotated Anodyne O=C(c1ccccc1Br)n1nc2cc1oc1ccc(F)cc21 ZINC000587872614 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2scc(C)c12 ZINC000587872617 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(SC)cc1 ZINC000587872739 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H]1CCCC[C@@H]1C ZINC000587872749 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H]1CCCC[C@H]1C ZINC000587872752 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H]1CCCC[C@H]1C ZINC000587872754 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H]1CCCC[C@@H]1C ZINC000587872756 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(OC)c1 ZINC000587872772 FI Annotated Anodyne CC(C)C(=O)Nc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873014 FI Annotated Anodyne O=C([C@H]1CCO[C@@H]1c1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873148 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1snc(SC)c1C#N ZINC000587873159 FI Annotated Mild CCOc1ccccc1OCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873176 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc2ccccc2s1 ZINC000587873178 FI Annotated Anodyne O=C(c1ccc(Br)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873198 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Cl)nc(SC)n1 ZINC000587873206 FI Annotated Anodyne COc1ccc(O[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873232 FI Annotated Anodyne COc1ccc(O[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873234 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2sccc2cn1 ZINC000587873287 FI Annotated Anodyne O=C(Cn1nc(C(F)F)cc1C1CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873353 FI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(OC)cc1 ZINC000587873356 FI Annotated Anodyne C#Cc1cccc(NC(=S)n2nc(-c3cccc(F)c3)cc2OCC)c1 ZINC000587873367 FI Annotated Mild Cc1nn(CCC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1Cl ZINC000587873407 FI Annotated Anodyne CCOc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1OC ZINC000587873450 FI Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1Cl ZINC000587873473 FI Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1Cl ZINC000587873474 FI Annotated Anodyne CCOc1ccc(NCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873477 FI Annotated Anodyne CCCC(=O)Nc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873519 FI Annotated Anodyne COc1cccc(O[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587873572 FI Annotated Anodyne COc1cccc(O[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587873573 FI Annotated Anodyne CCN(CC)Cc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873775 FI Annotated Anodyne CCCOc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1OC ZINC000587873815 FI Annotated Anodyne O=C(COc1ccc(F)cc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873818 FI Annotated Anodyne O=C(COc1ccc2c(c1)CCC2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873965 FI Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)on1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873972 FI Annotated Anodyne COc1ccccc1O[C@H](C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873998 FI Annotated Anodyne COc1ccccc1O[C@@H](C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873999 FI Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874020 FI Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587874023 FI Annotated Anodyne C[C@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1ccc(C(F)(F)F)n1 ZINC000587874050 FI Annotated Anodyne C[C@@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1ccc(C(F)(F)F)n1 ZINC000587874051 FI Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874055 FI Annotated Anodyne CC(=O)c1ccc(O[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874068 FI Annotated Anodyne CC(=O)c1ccc(O[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874069 FI Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874132 FI Annotated Anodyne CCN(CC)c1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874187 FI Annotated Anodyne CCOc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1OCC ZINC000587874233 FI Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587874261 FI Annotated Bother COc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)ccc1OC(C)C ZINC000587874270 FI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1F)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874353 FI Annotated Anodyne C[C@H](Oc1ccc(F)cc1F)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874354 FI Annotated Anodyne COc1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)cc1F ZINC000587874427 FI Annotated Anodyne Cc1cc(C(F)F)nn1[C@H](C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874428 FI Annotated Anodyne Cc1cc(C(F)F)nn1[C@@H](C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874429 FI Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1NC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874430 FI Annotated Bother CC(C)(C)OC(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587874433 FI Annotated Anodyne COc1ccc(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)cc1 ZINC000587874482 FI Annotated Anodyne Cc1nc(-c2cccnc2)nc(-n2nc3cc2oc2ccc(F)cc32)c1C ZINC000587874509 FI Annotated Anodyne Cc1ccc(-c2cnnc(-n3nc4cc3oc3ccc(F)cc43)n2)c(C)c1 ZINC000587874593 FI Annotated Anodyne Cc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC000587874639 FI Annotated Mild O=C(c1cc2cc([N+](=O)[O-])ccc2o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874654 FI Annotated Bother CCc1nc2ccccc2n1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874695 FI Annotated Anodyne Cc1nc(-c2ccccn2)nc(-n2nc3cc2oc2ccc(F)cc32)c1C ZINC000587874758 FI Annotated Anodyne COc1ccccc1SCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874792 FI Annotated Anodyne Cc1nc(-c2ccncc2)nc(-n2nc3cc2oc2ccc(F)cc32)c1C ZINC000587874973 FI Annotated Anodyne COc1ccccc1-c1ccnc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587875010 FI Annotated Anodyne Cc1nc(-n2nc3cc2oc2ccc(F)cc32)nc(O)c1Cc1ccccc1 ZINC000587875011 FI Annotated Anodyne O=C(CSc1nc2ccccc2o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875201 FI Annotated Anodyne O=C(c1cc(Br)cs1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875205 FI Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587875410 FI Annotated Bother O=[N+]([O-])c1ccc2nc(-n3nc4cc3oc3ccc(F)cc43)sc2c1 ZINC000587875414 FI Annotated Bother CCCc1noc(-c2cccnc2-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587875444 FI Annotated Anodyne COc1cccc(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)c1 ZINC000587875488 FI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncccc3-c3nc(C4CC4)no3)c2c1 ZINC000587875513 FI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncc4c(n3)-c3ccccc3CC4)c2c1 ZINC000587875563 FI Annotated Anodyne Cc1cc(-n2nc3cc2oc2ccc(F)cc32)nc(-c2ccccc2O)n1 ZINC000587875633 FI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc(-c4ccccn4)nc4c3CCC4)c2c1 ZINC000587875638 FI Annotated Anodyne Cc1ccc(C)c(-c2cnnc(-n3nc4cc3oc3ccc(F)cc43)n2)c1 ZINC000587875640 FI Annotated Anodyne O=C(c1cc(-c2cccs2)on1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875702 FI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc4cc5c(cc4s3)OCCO5)c2c1 ZINC000587875768 FI Annotated Anodyne Cc1ccc(-n2ncc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2C)cc1 ZINC000587875782 FI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc4cc5c(cc4s3)OCO5)c2c1 ZINC000587875800 FI Annotated Anodyne COc1ccc(C)cc1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587875805 FI Annotated Anodyne CN(C)c1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587875810 FI Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)n[nH]2)cc1 ZINC000587875837 FI Annotated Anodyne Cc1cccc2c1[nH]c1nc(-n3nc4cc3oc3ccc(F)cc43)nnc12 ZINC000587875914 FI Annotated Anodyne CCc1cc(-n2nc3cc2oc2ccc(F)cc32)nc(-c2ccccn2)n1 ZINC000587875924 FI Annotated Anodyne O=C(NC12CC3CC(CC(C3)C1)C2)n1nc2cc1oc1ccc(F)cc21 ZINC000587875943 FI Annotated Anodyne Cc1ccc(-c2cnnc(-n3nc4cc3oc3ccc(F)cc43)n2)cc1C ZINC000587875988 FI Annotated Anodyne COc1ccc(NC(=O)n2nc3cc2oc2ccc(F)cc32)c(OC)c1 ZINC000587875992 FI Annotated Anodyne CCc1ccc(-c2cnnc(-n3nc4cc3oc3ccc(F)cc43)n2)cc1 ZINC000587876108 FI Annotated Anodyne O=[N+]([O-])c1cccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587876117 FI Annotated Bother CCN(CC)Cc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)o1 ZINC000587876126 FI Annotated Anodyne O=C(c1cc(-c2cccs2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876451 FI Annotated Anodyne O=[N+]([O-])c1ccccc1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876486 FI Annotated Bother Fc1ccc2oc3cc(nn3-c3ncnc4c3cnn4-c3ccccc3)c2c1 ZINC000587876691 FI Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876857 FI Annotated Anodyne CC(=O)Nc1cccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587877038 FI Annotated Anodyne O=C(c1ccc(Br)s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877064 FI Annotated Anodyne C=C(C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877328 FI Annotated Mild CCc1cc(C#N)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878309 FI Annotated Mild Cc1ccc(CC#N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878432 FI Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc2cc[nH]c12 ZINC000587878989 FI Annotated Mild N#CCCc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879099 FI Annotated Mild C[C@@H](C#N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879271 FI Annotated Mild C[C@H](C#N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879273 FI Annotated Mild C=CCc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879293 FI Annotated Mild CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587880708 FI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CC#N ZINC000587881078 FI Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CC#N ZINC000587881283 FI Annotated Mild CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587881489 FI Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587882528 FI Annotated Mild C=CCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882557 FI Annotated Mild CC(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882945 FI Annotated Mild N#CCCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883049 FI Annotated Mild COc1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883103 FI Annotated Mild C[C@@H](C=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883148 FI Annotated Mild C[C@H](C=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883149 FI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CCCO2 ZINC000587884086 FI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)NCCC2 ZINC000587884147 FI Annotated Mild C=CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884174 FI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC=C2 ZINC000587884645 FI Annotated Mild C[C@@H]1Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O1 ZINC000587884847 FI Annotated Mild C[C@H]1Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O1 ZINC000587884849 FI Annotated Mild [C-]#[N+]Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885024 FI Annotated Reactive Cc1cc2cc[nH]c2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587885324 FI Annotated Mild Cc1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587885510 FI Annotated Mild Cc1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885909 FI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc[nH]c12 ZINC000587886612 FI Annotated Mild Cc1cc2[nH]ccc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886910 FI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CCCN2 ZINC000587888051 FI Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2[nH]ccc2c1 ZINC000587888354 FI Annotated Mild Cc1cccc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888373 FI Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CC=C2 ZINC000587888395 FI Annotated Mild Cc1ccc2[nH]ccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888757 FI Annotated Mild Cc1cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587889205 FI Annotated Mild O=NCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897855 FI Annotated Mild COc1ccc(Cl)cc1C#CCc1cccc(CBr)n1 ZINC000587898498 FI Annotated Reactive COC(=O)c1oc2ccccc2c1CC#Cc1cc(Cl)ccc1OC ZINC000587898507 FI Annotated Mild COc1ccc(Cl)cc1C#CC=C(Br)Br ZINC000587898697 FI Annotated Mild COC(=O)c1cc2cc(CC#Cc3cc(Cl)ccc3OC)ccc2o1 ZINC000587898892 FI Annotated Mild COc1ccc(Cl)cc1C#C/C(Br)=C/Br ZINC000587899204 FI Annotated Mild COc1ccc(Cl)cc1C#C/C(Br)=C\Br ZINC000587899205 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(Br)c1O ZINC000587899328 FI Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(C(C)C)cc1N ZINC000587899337 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(OC)c1OC(C)C ZINC000587899397 FI Annotated Mild CCOc1cc(C=O)c(C#Cc2cc(Cl)ccc2OC)c(Cl)c1O ZINC000587899474 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(Cl)c1OC ZINC000587899511 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C=O)c1O ZINC000587899674 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(C(=O)O)cc1Cl ZINC000587899676 FI Annotated Mild CCCNc1cc(OC)c(C#Cc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000587899743 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC)c(OC)cc1CCC#N ZINC000587899751 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)cc1OCC(C)C ZINC000587899755 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)cc1OC ZINC000587899767 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C#N)c1O ZINC000587899817 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cc(Br)c1C ZINC000587899852 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc([N+](=O)[O-])c1OC ZINC000587899922 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C)c1N ZINC000587899939 FI Annotated Mild C=CCOc1c(C#Cc2cc(Cl)ccc2OC)cc(C=O)cc1OC ZINC000587899981 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OC)c1N ZINC000587900024 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(OC)cc1Cl ZINC000587900094 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cc(Br)c1OC ZINC000587900183 FI Annotated Mild C#CCOc1c(Cl)cc(C=O)cc1C#Cc1cc(Cl)ccc1OC ZINC000587900191 FI Annotated Mild CCNc1cc(OC)c(C#Cc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000587900197 FI Annotated Mild CCOc1cc(/C=C/[N+](=O)[O-])cc(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587900225 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCOCC2)cc1Cl ZINC000587900232 FI Annotated Mild CCOc1cc(/C=C\[N+](=O)[O-])cc(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587900234 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(C)C)c(OC)cc1C=O ZINC000587900422 FI Annotated Mild COc1cc(Br)c(N)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587900460 FI Annotated Mild CCOc1cc(NC)c([N+](=O)[O-])cc1C#Cc1cc(Cl)ccc1OC ZINC000587900497 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(N)c(Br)c1 ZINC000587900554 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)c1N ZINC000587900568 FI Annotated Mild CCOc1cc(C#N)cc(C#Cc2cc(Cl)ccc2OC)c1OCC ZINC000587900624 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c(Br)cc1C ZINC000587900724 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1N=C=O ZINC000587900755 FI Annotated Reactive COc1ccc(Cl)cc1C#CCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000587900762 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c(N)cc1OCCC(C)C ZINC000587900849 FI Annotated Mild COc1cc(N)c(C#Cc2cc(Cl)ccc2OC)cc1Br ZINC000587900913 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)cc(Br)c1O ZINC000587900995 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(C#N)c1 ZINC000587901082 FI Annotated Mild CCOc1cc(C=O)cc(C#Cc2cc(Cl)ccc2OC)c1OCC ZINC000587901109 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c([N+](=O)[O-])cc1Cl ZINC000587901134 FI Annotated Mild CCCNc1c(C#Cc2cc(Cl)ccc2OC)cc(C#N)cc1[N+](=O)[O-] ZINC000587901177 FI Annotated Mild CCCOc1c(C#Cc2cc(Cl)ccc2OC)cc(C=O)cc1OC ZINC000587901178 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(NC(C)C)cc1OC ZINC000587901217 FI Annotated Mild CCNc1cc(OCC)c(C#Cc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000587901233 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000587901275 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(Br)cc1N ZINC000587901362 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1Cc1noc(CCl)n1 ZINC000587901575 FI Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(-c2cc(=N)[nH][nH]2)c1 ZINC000587901930 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)c(-c2nc(C3CC3)no2)c1 ZINC000587901962 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC2CCOCC2)c(C#N)c1 ZINC000587902060 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C(=O)OC(C)(C)C)c1C ZINC000587902242 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 ZINC000587902373 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2cnc(C)c2)c(OC)c1 ZINC000587902456 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(C)c1-c1cccc(N=C=O)c1 ZINC000587902582 FI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)nc1Cl ZINC000587902697 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C#N)nn(Cc2ccccc2)c1C ZINC000587902729 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)nc1Cl ZINC000587902733 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2ccccc2)c1C#N ZINC000587902777 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Cl)nc1O ZINC000587902795 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N[C@H]1CCCC[C@@H]1O ZINC000587902800 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N[C@@H]1CCCC[C@@H]1O ZINC000587902801 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N[C@H]1CCCC[C@H]1O ZINC000587902802 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N[C@@H]1CCCC[C@H]1O ZINC000587902803 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(-c2ccc(N)cc2)c1C ZINC000587902813 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Cl)nc1OC(C)(C)C ZINC000587902846 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Cl)nc1OCC(C)C ZINC000587903011 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Cl)ncc(Br)c1N ZINC000587903106 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cnc1N1CCCCC1 ZINC000587903199 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(-c2cc(C)cc(C)c2)c1N ZINC000587903267 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Cl)nc1N1CCCCC1 ZINC000587903278 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(N)[nH]nc2nc1-c1ccccc1 ZINC000587903322 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Cl)c(Br)c1N ZINC000587903646 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(N2CCCC2=O)c(C)c1 ZINC000587903821 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(N2CCC[C@H](N)C2)c(C)c1 ZINC000587903953 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(N2CCC[C@@H](N)C2)c(C)c1 ZINC000587903954 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-c2c(C)nn(C)c2N)c1 ZINC000587904847 FI Annotated Mild C=C1C=CN2C=C(c3cccc(C#Cc4cc(Cl)ccc4OC)c3)NC2=N1 ZINC000587905531 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cc2noc(CCl)n2)cc1 ZINC000587905828 FI Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2nc3c(o2)CCNC3)cc1 ZINC000587906361 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2cc(C=O)c(C)n2)cc1 ZINC000587906484 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC2CCN(C)CC2)cc1 ZINC000587906714 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2c(C)nn(C)c2N)cc1 ZINC000587906825 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Br)OCO2 ZINC000587907028 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(C=O)c(N(C)C)[nH]c2c1 ZINC000587907165 FI Annotated Mild C=C1NC(=O)c2cc(Cl)c(C#Cc3cc(Cl)ccc3OC)cc2N1 ZINC000587907199 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2cnn(C(C)C)c2c1 ZINC000587907298 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nc[nH]c2cc1Br ZINC000587907461 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Oc2ccccc2C#N)nc1 ZINC000587907463 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Oc2ccc(C#N)cc2)nc1 ZINC000587907803 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1OC)c(C=O)c(C)n2C ZINC000587907924 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Oc2ccc(C=O)cc2)nc1 ZINC000587908085 FI Annotated Mild CCOc1cc2c(cc1C#Cc1cc(Cl)ccc1OC)CCC(=O)N2 ZINC000587908202 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(=O)c(CN=O)coc2c1 ZINC000587908278 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c2c(c1)CCC(=O)N2C ZINC000587908279 FI Annotated Mild CCOc1cc2c(cc1C#Cc1cc(Cl)ccc1OC)CCC(=O)N2C ZINC000587908335 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)C1(CCOCC1)C2 ZINC000587908340 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2[nH]c3c(c(=O)c2c1)CCC3 ZINC000587908695 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(O)nc(C)nc2cc1Cl ZINC000587908893 FI Annotated Mild COc1ccc(Cn2cc(C#Cc3cc(Cl)ccc3OC)cn2)cc1 ZINC000587909031 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(Cc2ccc(Cl)cc2)[nH]c1=N ZINC000587909100 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000587909293 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2oc(=O)c(C=O)c(Cl)c2c1 ZINC000587909358 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C1(CCOCC1)CN2 ZINC000587909365 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC)c2nc(Cl)ncc2c1 ZINC000587909470 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000587909481 FI Annotated Mild COc1ccc(-n2cc(C#Cc3cc(Cl)ccc3OC)c(C)n2)cc1 ZINC000587909558 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCCCCC2)c(N)c1 ZINC000587909613 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2c(c1)CCO2 ZINC000587909874 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(-c3ccccn3)nc2c1 ZINC000587910134 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2oc(C(OC)OC)cc2c1 ZINC000587910138 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2cc(C(OC)OC)oc2c1 ZINC000587910139 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)c(C(N)=O)cc2ccccc12 ZINC000587910202 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2nc(O)n(C3CCCC3)c2c1 ZINC000587910206 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2c1OCC2 ZINC000587910372 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(-c3cccnc3)nc2c1 ZINC000587910383 FI Annotated Mild COc1cnc(C#Cc2cc(Cl)ccc2OC)c(NC(=O)C(C)(C)C)c1 ZINC000587910727 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Cl)cc(Br)c1N ZINC000587910847 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)nc(Br)c1N ZINC000587910921 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)ccc2cc(CN)ccc12 ZINC000587911027 FI Annotated Mild CCOC(=O)c1[nH]c2ccccc2c1C#Cc1cc(Cl)ccc1OC ZINC000587911113 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2[nH]cc(Br)c12 ZINC000587911118 FI Annotated Mild COc1ccc2c(C#Cc3cc(Cl)ccc3OC)ccc(C=O)c2n1 ZINC000587911164 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c2nccc(Br)c12 ZINC000587911214 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(Cl)nc(Cl)c1-2 ZINC000587911243 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2cc(Br)cnc12 ZINC000587911290 FI Annotated Mild CCCCn1nnc2cc(C#N)cc(C#Cc3cc(Cl)ccc3OC)c21 ZINC000587911533 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)nc(Cl)c1O ZINC000587911593 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2[nH]c(N(C)C)c(C=O)c12 ZINC000587911617 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(Br)ccnc2c1 ZINC000587911712 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c2nonc12 ZINC000587911722 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn2c(Cl)cc(Cl)nc12 ZINC000587911766 FI Annotated Mild CCOC(=O)c1[nH]c2ccc(C)nc2c1C#Cc1cc(Cl)ccc1OC ZINC000587911813 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2cn[nH]c12 ZINC000587911849 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Cl)n1 ZINC000587911855 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2n[nH]cc2c1 ZINC000587911933 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(Cl)nc(Cl)nn12 ZINC000587912007 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2ncc(Br)n2c1 ZINC000587912034 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(-c2ccccc2)nc2cccnn12 ZINC000587912039 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(Cl)nc(Cl)[nH]c-2n1 ZINC000587912096 FI Annotated Mild COc1ccc(Cl)cc1C#CC1=CN2Cc3ccccc3C(=N)N=C2C=C1 ZINC000587912152 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2ccc(Br)cn12 ZINC000587912174 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(-c2ccccc2)nc2ncccn12 ZINC000587912338 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@H](N)C(F)(F)F)ccc1OC ZINC000587912399 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@H](N)C(F)(F)F)ccc1OC ZINC000587912400 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N2CCCC2)c2c(n1)CCCN2 ZINC000587912903 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(C)(C)C)nc1Br ZINC000587912937 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1nn([C@@H]2CCCCO2)c2ncccc12 ZINC000587912952 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1nn([C@H]2CCCCO2)c2ncccc12 ZINC000587912953 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2cccnc2n1 ZINC000587913187 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)nc2ccccc12 ZINC000587913241 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)nc2ncccc12 ZINC000587913308 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncccc1NC(=O)OC(C)(C)C ZINC000587913330 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2ccc(Br)cc12 ZINC000587913353 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(O)c2oc(C(C)(C)C)nc12 ZINC000587913354 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(C=O)c2oc(C(C)(C)C)nc12 ZINC000587913369 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C(C)(C)C)cc1Br ZINC000587913414 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2ccc(Br)nc12 ZINC000587913416 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nccc(Br)c2n1 ZINC000587913438 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Br)c2cc[nH]c12 ZINC000587913583 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncccc1OCCc1ccccn1 ZINC000587913594 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(Br)c2[nH]ccc12 ZINC000587913618 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(N)c1C(F)(F)F ZINC000587913646 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc(O)c(C#N)c1C(F)(F)F ZINC000587913841 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1N ZINC000587913860 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(O)c1C(F)(F)F ZINC000587913862 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C=O)cc1OC(F)(F)F ZINC000587914309 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1C=O ZINC000587914311 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1NC=O ZINC000587914383 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(OC(F)(F)F)c1 ZINC000587914397 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)cc(F)c(Br)c1F ZINC000587914472 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(C(F)(F)F)cn2c1 ZINC000587914493 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])cc(C)c(F)c1[N+](=O)[O-] ZINC000587914617 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(Br)cc1N ZINC000587914641 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1OC(F)(F)F ZINC000587914677 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(OC(F)F)c(C=O)c1 ZINC000587914685 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cc(Br)c1F ZINC000587914955 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(F)cc(Br)c1F ZINC000587914964 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nc2ccccn12 ZINC000587915176 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)cc(N)c(Br)c1F ZINC000587915192 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(OC)c1OC(F)F ZINC000587915213 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn2c1NCC[C@H]2C(F)(F)F ZINC000587915236 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn2c1NCC[C@@H]2C(F)(F)F ZINC000587915252 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c(N2CCCCC2=O)c1 ZINC000587915379 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c(NC(C)C)c(F)c1F ZINC000587915498 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(F)c1N ZINC000587915501 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(C=O)c(Br)c1 ZINC000587915507 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(C2OCCO2)c(F)c1 ZINC000587915537 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(C(F)(F)F)nc2c1 ZINC000587915583 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(F)cc1N ZINC000587915596 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c(F)cc1Br ZINC000587915599 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(F)c(Br)c1N ZINC000587915607 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1C=O ZINC000587915663 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(N)c(Br)c1F ZINC000587915810 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(N)c(Br)c1 ZINC000587915827 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(Br)cc(F)c1F ZINC000587915912 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(N)cc1Br ZINC000587915915 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCCC2=O)c(F)c1 ZINC000587916063 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cc2cccc(F)c2F)c1 ZINC000587916365 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2csc(=N)[nH]2)ccc1F ZINC000587916385 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC2CCOCC2)c(F)c1 ZINC000587916627 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cn2cc(C)cn2)c(F)c1 ZINC000587916810 FI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(S(=O)(=O)Cl)c(F)c1 ZINC000587916932 FI Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccc(I)s1 ZINC000587917183 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nnn(C(C)(C)C)c2cc1F ZINC000587917270 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)ncc(Br)c1C ZINC000587917410 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1sccc1I ZINC000587917496 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(F)c(Br)c1C ZINC000587917550 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(F)nc1C ZINC000587917696 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(C)nc1F ZINC000587917943 FI Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(O)nc2c(F)c(F)ccc12 ZINC000587917963 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)cc2[nH]c(=N)sc2c1F ZINC000587917970 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nnn(C(C)C)c2c(F)c1F ZINC000587918046 FI Annotated Mild CCCCn1nnc2cc(C#Cc3cc(Cl)ccc3OC)c(F)cc21 ZINC000587918083 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(S(=O)(=O)Cl)cc1C ZINC000587918202 FI Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(C)s1 ZINC000587918337 FI Annotated Unstable COc1ccc(Cl)cc1C#Cc1scc(C=O)c1Br ZINC000587918648 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(C(=O)O)cc1Br ZINC000587918678 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)sc1Br ZINC000587918819 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(Br)cc1C#N ZINC000587918874 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)csc1C=O ZINC000587919003 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C=O)csc1Br ZINC000587919032 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)c(Br)s1 ZINC000587919034 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(Br)cc1C=O ZINC000587919041 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(Br)s1 ZINC000587919062 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(SC2CCOCC2)nc1 ZINC000587919083 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(C=O)cc1Br ZINC000587919088 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(C=O)c1Br ZINC000587919202 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(C(=O)O)s1 ZINC000587919232 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)c(Br)s1 ZINC000587919322 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1Cc1c[nH]c(=N)s1 ZINC000587920243 FI Annotated Mild Cc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1C ZINC000587920397 FI Annotated Anodyne NC(=O)/C(=C\c1ccccc1O)c1nc(-c2cccc(Cl)c2)cs1 ZINC000587920486 FI Annotated Anodyne NC(=O)/C(=C/c1ccccc1O)c1nc(-c2cccc(Cl)c2)cs1 ZINC000587920487 FI Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cc(-c2csc(=N)[nH]2)ccc1OC ZINC000587920544 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cc2cnc(Cl)s2)c1 ZINC000587920624 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CN3CCSC3=N2)cc1 ZINC000587920870 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CN3CCSC3=N2)cc1 ZINC000587920872 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1Cc1csc(=N)[nH]1 ZINC000587920908 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(N2CCSCC2)c1C#N ZINC000587921017 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@H]2NCCS2)ccc1OC ZINC000587921079 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@H]2NCCS2)ccc1OC ZINC000587921080 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c([C@H]2NCCS2)c1 ZINC000587921116 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c([C@@H]2NCCS2)c1 ZINC000587921117 FI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2c[nH]c(=N)s2)ccc1OC ZINC000587921185 FI Annotated Mild O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccc(Cl)c2)cs1 ZINC000587921271 FI Annotated Anodyne CCOC(=O)c1cc2sc(C#Cc3cc(Cl)ccc3OC)cc2[nH]1 ZINC000587921313 FI Annotated Mild Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1C ZINC000587921467 FI Annotated Anodyne Cc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1C ZINC000587921470 FI Annotated Anodyne Cc1cc(C(F)(F)F)n(CCc2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000587921545 FI Annotated Mild Cc1nnc(N2CCCC2)c(-c2nc(-c3ccc(C#N)cc3)cs2)c1C ZINC000587921546 FI Annotated Mild Cc1cc(C(F)(F)F)nn1CCc1nc(-c2ccc(C#N)cc2)cs1 ZINC000587921597 FI Annotated Mild O=C(O)/C(=C/c1ccccc1O)c1nc(-c2cc(F)ccc2F)cs1 ZINC000587921625 FI Annotated Anodyne O=C(O)/C(=C\c1ccccc1O)c1nc(-c2cc(F)ccc2F)cs1 ZINC000587921626 FI Annotated Anodyne CN(CCc1nc(-c2cc(F)ccc2F)cs1)C(=O)OC(C)(C)C ZINC000587921658 FI Annotated Anodyne CC(=O)N(C)CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922440 FI Annotated Clean CN(CCc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)OC(C)(C)C ZINC000587922492 FI Annotated Anodyne Cc1cc(-c2csc(-c3c[nH][nH]c3=N)n2)c(C)n1-c1ccccc1F ZINC000587922555 FI Annotated Clean CC(=O)NCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922568 FI Annotated Clean CCOC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922690 FI Annotated Clean O=C(O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000587922751 FI Annotated Anodyne O=C(O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000587922752 FI Annotated Anodyne Cc1cc(-c2csc(-c3cnc[nH]c3=N)n2)c(C)n1-c1ccccc1F ZINC000587922809 FI Annotated Clean CCC(CC)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 ZINC000587923490 FI Annotated Anodyne CCN(c1ccc(-c2csc(CC3CCCC3)n2)cc1)S(C)(=O)=O ZINC000587923603 FI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(F)cc3F)n2)cc1 ZINC000587923675 FI Annotated Anodyne CN(c1ccc(-c2csc(CC3CCCCC3)n2)cc1)S(C)(=O)=O ZINC000587923693 FI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(CC3CCCCC3)n2)cc1 ZINC000587923711 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 ZINC000587923766 FI Annotated Anodyne Cc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1C ZINC000587923936 FI Annotated Anodyne Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C ZINC000587924452 FI Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3ccc(SC)cc3)cs2)=C1CC ZINC000587924523 FI Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(SC)cc3)cs2)=C1CC ZINC000587924524 FI Annotated Anodyne CSc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 ZINC000587924543 FI Annotated Anodyne COc1cc(C2(c3nc4cc(Br)ncc4[nH]3)CC2)ccc1C ZINC000587924709 FI Annotated Anodyne COc1cc(C2(c3nc4cc(Br)c(C)nc4[nH]3)CC2)ccc1C ZINC000587924739 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587924742 FI Annotated Anodyne COc1cc(C2(c3nc4c(Br)ccnc4[nH]3)CC2)ccc1C ZINC000587924744 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1OC ZINC000587924851 FI Annotated Anodyne COc1cc(C)ccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587924874 FI Annotated Bother COc1cc(C)ccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587924876 FI Annotated Clean COc1cc(C)ccc1-c1nc2cccc(I)c2[nH]1 ZINC000587924938 FI Annotated Anodyne COc1cc(C2(c3nc4ccc(Br)nc4[nH]3)CC2)ccc1C ZINC000587924964 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC ZINC000587924968 FI Annotated Anodyne COc1cc(C2(c3nc4cncc(Br)c4[nH]3)CC2)ccc1C ZINC000587924972 FI Annotated Anodyne COc1cc(C)ccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587924974 FI Annotated Anodyne COc1cc(C2(c3nc4ccc(Br)c(O)c4[nH]3)CC2)ccc1C ZINC000587925060 FI Annotated Anodyne COc1cc(C)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587925061 FI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000587925172 FI Annotated Mild COc1ccc(C[C@H](C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000587925173 FI Annotated Mild CSc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1 ZINC000587925240 FI Annotated Anodyne CSc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1 ZINC000587925253 FI Annotated Anodyne CSc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1 ZINC000587925293 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1OC ZINC000587925314 FI Annotated Anodyne COc1cc(C2(c3nc4ccnc(Br)c4[nH]3)CC2)ccc1C ZINC000587925416 FI Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587925518 FI Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1OC ZINC000587925539 FI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587925653 FI Annotated Mild COc1cc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2cc1Cl ZINC000587925655 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC ZINC000587925667 FI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587925780 FI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587925784 FI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC ZINC000587925819 FI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC ZINC000587925821 FI Annotated Anodyne COc1cc(C2(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)ccc1C ZINC000587925867 FI Annotated Anodyne COc1cc(C)ccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587925892 FI Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587925974 FI Annotated Mild COc1ccc(Cc2nc3cc(C)cc(Br)c3[nH]2)cc1OC ZINC000587925991 FI Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587926006 FI Annotated Anodyne COc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1OC ZINC000587926061 FI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587926109 FI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587926110 FI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587926141 FI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587926142 FI Annotated Anodyne COc1ccc(CCCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC ZINC000587926170 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2c1 ZINC000587926240 FI Annotated Anodyne COc1ccc(CCCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC ZINC000587926306 FI Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587926308 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC ZINC000587926404 FI Annotated Anodyne COc1ccc(CCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587926411 FI Annotated Anodyne COc1cc(C2(c3nc4c(C)c(Br)cnc4[nH]3)CC2)ccc1C ZINC000587926451 FI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587926594 FI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587926596 FI Annotated Anodyne COc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC ZINC000587926650 FI Annotated Bother COc1ccc(CCCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC ZINC000587926703 FI Annotated Anodyne CC(=O)SCc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587926780 FI Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1OC ZINC000587926867 FI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587926969 FI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587926970 FI Annotated Anodyne COc1ccc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1OC ZINC000587927093 FI Annotated Mild COc1cc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)ccc1C ZINC000587927140 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000587927297 FI Annotated Mild COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC ZINC000587927375 FI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC ZINC000587927376 FI Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1OC ZINC000587927433 FI Annotated Anodyne COc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587927441 FI Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 ZINC000587927499 FI Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cncc(C)c4[nH]3)c(O)c2)cc1OC ZINC000587927514 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 ZINC000587927521 FI Annotated Anodyne CCOC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 ZINC000587927601 FI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587927675 FI Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587927676 FI Annotated Bother COc1ccc(C[C@@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC ZINC000587927738 FI Annotated Bother COc1ccc(C[C@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC ZINC000587927741 FI Annotated Bother CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587927767 FI Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587927770 FI Annotated Bother CC(C)c1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 ZINC000587927786 FI Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1OC ZINC000587927820 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC ZINC000587927822 FI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC ZINC000587927826 FI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC ZINC000587927828 FI Annotated Anodyne COc1ccc(Cc2nc3ccc(Br)c(C)c3[nH]2)cc1OC ZINC000587927876 FI Annotated Anodyne COc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1OC ZINC000587927949 FI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587928091 FI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587928092 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2C)c(OC)c1 ZINC000587928386 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2C)c(OC)c1 ZINC000587928389 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(F)c(F)c(F)c3[nH]2)c(OC)c1 ZINC000587928536 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c1 ZINC000587928552 FI Annotated Anodyne COc1ccc(CCCc2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c1 ZINC000587928559 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2C)c(OC)c1 ZINC000587928598 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587928615 FI Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587928621 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587928624 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587928625 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587928626 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587928701 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587928703 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587928704 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587928706 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(C)cc(Br)cc2[nH]1 ZINC000587928757 FI Annotated Anodyne COc1ccc(CCCc2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c1 ZINC000587928823 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000587928849 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(C)c(Br)ccc2[nH]1 ZINC000587928896 FI Annotated Anodyne COc1ccc(CCCc2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c1 ZINC000587929112 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(Cl)nc(Cl)c3[nH]2)c(OC)c1 ZINC000587929122 FI Annotated Anodyne COc1ccc(CCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c1 ZINC000587929129 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c1 ZINC000587929130 FI Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc1OC ZINC000587929144 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)cc(C)cc2[nH]1 ZINC000587929202 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587929410 FI Annotated Bother COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587929421 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587929422 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587929423 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587929424 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(C#N)cc(Cl)c3[nH]2)c(OC)c1 ZINC000587929491 FI Annotated Mild COc1ccccc1CC(=O)c1nc2c(C)c(C)c(Br)cc2[nH]1 ZINC000587929505 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587929507 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587929509 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587929511 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587929513 FI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587929586 FI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587929595 FI Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)ncc3[nH]2)c(OC)c1 ZINC000587929617 FI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587929646 FI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587929647 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587929833 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587929834 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587929835 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587929836 FI Annotated Anodyne COc1cccc(C2(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CCCC2)c1 ZINC000587929915 FI Annotated Anodyne COc1cccc(C2(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CCCC2)c1 ZINC000587929918 FI Annotated Bother COc1cccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587929926 FI Annotated Anodyne COc1cccc(C2(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CCCC2)c1 ZINC000587930026 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587930319 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587930321 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587930323 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587930325 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000587930348 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587930357 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587930358 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587930359 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587930360 FI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c1 ZINC000587930407 FI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 ZINC000587930444 FI Annotated Anodyne COc1cccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587930495 FI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 ZINC000587930631 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2C)c(OC)c1 ZINC000587930690 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc2c1 ZINC000587931043 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](C)c3cccc(OC)c3)nc2c1 ZINC000587931045 FI Annotated Anodyne COc1cccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587931063 FI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2C)c(OC)c1 ZINC000587931075 FI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587931088 FI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587931090 FI Annotated Anodyne COc1cccc(C2(c3nc4cc(Cl)nc(C#N)c4[nH]3)CCCC2)c1 ZINC000587931124 FI Annotated Mild COc1cc(O)cc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 ZINC000587931252 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587931298 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587931299 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587931301 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587931303 FI Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(Br)c(C)cc2[nH]1 ZINC000587931306 FI Annotated Anodyne COc1cccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587931384 FI Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000587931629 FI Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587931654 FI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 ZINC000587931662 FI Annotated Anodyne COc1cccc(C2(c3nc4cc(OC)c(OC)cc4[nH]3)CCCC2)c1 ZINC000587931685 FI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587931740 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587931745 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587931749 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587931751 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587931754 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587931756 FI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587931793 FI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587931801 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587931868 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587931871 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587931874 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587931878 FI Annotated Anodyne COc1cccc(C2(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CCCC2)c1 ZINC000587931941 FI Annotated Anodyne COc1cccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587932001 FI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 ZINC000587932106 FI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 ZINC000587932172 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587932191 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587932192 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587932193 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587932194 FI Annotated Anodyne COc1cccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587932294 FI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587932295 FI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587932304 FI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587932358 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587932361 FI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587932602 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587932604 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587932715 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587932716 FI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587932717 FI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587932718 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC000587932750 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC000587932751 FI Annotated Anodyne COc1cccc(C2(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CCCC2)c1 ZINC000587932957 FI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587932975 FI Annotated Anodyne COc1cccc(C2(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CCCC2)c1 ZINC000587932977 FI Annotated Anodyne COc1cccc(C2(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CCCC2)c1 ZINC000587932978 FI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587932988 FI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 ZINC000587933165 FI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c1 ZINC000587933238 FI Annotated Anodyne COC(=O)c1cccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c12 ZINC000587933246 FI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 ZINC000587933325 FI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 ZINC000587933555 FI Annotated Anodyne COc1cccc(C2(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CCCC2)c1 ZINC000587933590 FI Annotated Anodyne COC(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c1 ZINC000587933616 FI Annotated Anodyne COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CCCC2)c1 ZINC000587933627 FI Annotated Anodyne COc1cccc(C2(c3nc4cc(OC)cc(OC)c4[nH]3)CCCC2)c1 ZINC000587933859 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)ncc2[nH]1 ZINC000587933923 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587933943 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587933949 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587933957 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cnc2[nH]1 ZINC000587933986 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2n1 ZINC000587933989 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587934010 FI Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587934056 FI Annotated Anodyne COc1ccc(C2(c3nc4nc(Cl)c[nH]c-4n3)CC3(CCC3)C2)cc1 ZINC000587934073 FI Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587934196 FI Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(Cc4ccccc4)c3O)c2)=N1 ZINC000587934197 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(Br)ccnc2[nH]1 ZINC000587934242 FI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc5c(cc4[nH]3)OCC(=O)N5)ccc2c1 ZINC000587934250 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(C)nc3[nH]1)CC2 ZINC000587934291 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(C)nc3[nH]1)CC2 ZINC000587934294 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(Br)ccnc3[nH]1)CC2 ZINC000587934309 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccnc3[nH]1)CC2 ZINC000587934314 FI Annotated Anodyne COc1ccc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934588 FI Annotated Anodyne COC(=O)c1cc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2cn1 ZINC000587934620 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(O)c3[nH]1)CC2 ZINC000587934662 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(O)c3[nH]1)CC2 ZINC000587934664 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587934667 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587934668 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587934669 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587934670 FI Annotated Anodyne CCOC(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 ZINC000587934722 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587934760 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587934762 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587934763 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587934764 FI Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587934855 FI Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587934909 FI Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2O)cc1 ZINC000587934913 FI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4c(S)nc(S)nc4[nH]3)ccc2c1 ZINC000587935090 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587935096 FI Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2ccnc(Br)c2[nH]1 ZINC000587935136 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cncc(Br)c2[nH]1 ZINC000587935138 FI Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc(C2CCCCC2)c1O ZINC000587935482 FI Annotated Anodyne COc1ccc(C2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935529 FI Annotated Bother COc1ccc(C2(c3nc4ccc(CCO)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935544 FI Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(C4CCCCC4)c3O)c2)=N1 ZINC000587935551 FI Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1cccc(Br)c1N ZINC000587935563 FI Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587935709 FI Annotated Mild COc1ccc([C@@H](c2ccccc2)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587935755 FI Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587935756 FI Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587935849 FI Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1c(N)cccc1Br ZINC000587935850 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587935851 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587935853 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587935856 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587935881 FI Annotated Mild Nc1c(Br)cccc1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587935904 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(C)c(Br)cnc3[nH]1)CC2 ZINC000587935924 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(C)c(Br)cnc3[nH]1)CC2 ZINC000587935927 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587935933 FI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Br)nc2[nH]1 ZINC000587935959 FI Annotated Anodyne COc1ccc(C2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936086 FI Annotated Bother COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)cc1 ZINC000587936094 FI Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(-c4cccc(F)c4)c3O)c2)=N1 ZINC000587936097 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)CC2 ZINC000587936104 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)CC2 ZINC000587936105 FI Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3cccc(Br)c3N)c2O)cc1 ZINC000587936318 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936327 FI Annotated Bother Nc1c(Br)cccc1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587936384 FI Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587936418 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc2c1 ZINC000587936458 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc2c1 ZINC000587936459 FI Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587936487 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587936935 FI Annotated Mild COc1ccc([C@H](c2ccccc2)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587936942 FI Annotated Mild Nc1c(Br)cccc1-n1c(O)ccc1OCCc1ccccc1 ZINC000587936962 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)CC2 ZINC000587936996 FI Annotated Bother COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)CC2 ZINC000587936998 FI Annotated Bother O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4)c3O)c2)n1 ZINC000587937002 FI Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587937009 FI Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937030 FI Annotated Anodyne Nc1c(Br)cccc1-n1c(O)ccc1OCc1ccccc1 ZINC000587937062 FI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587937160 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587937161 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587937162 FI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587937163 FI Annotated Anodyne COc1cccc(-c2cccc(-n3c(O)cc(CSC(C)=O)c3O)c2)c1 ZINC000587937274 FI Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc(C2CCCCC2)c1O ZINC000587937299 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccnc(Br)c3[nH]1)CC2 ZINC000587937301 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccnc(Br)c3[nH]1)CC2 ZINC000587937303 FI Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(F)cc4)c3O)c2)=N1 ZINC000587937336 FI Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1c(N)cccc1Br ZINC000587937405 FI Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3c(N)cccc3Br)c2O)cc1 ZINC000587937432 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(Br)ncc3[nH]1)CC2 ZINC000587937443 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)ncc3[nH]1)CC2 ZINC000587937444 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587937477 FI Annotated Bother Nc1cccc(Br)c1-n1c(O)ccc1OCCc1ccccc1 ZINC000587937489 FI Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1cccc(Br)c1N ZINC000587937491 FI Annotated Anodyne Nc1cccc(Br)c1-n1c(O)ccc1OCc1ccccc1 ZINC000587937511 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)CC2 ZINC000587937533 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)CC2 ZINC000587937534 FI Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937664 FI Annotated Bother Cc1ccccc1-c1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587937666 FI Annotated Anodyne CCCCc1ccc(-n2c(OC)cc(C#N)c2OC)c(Br)c1 ZINC000587937708 FI Annotated Mild COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)nc3[nH]1)CC2 ZINC000587937771 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)nc3[nH]1)CC2 ZINC000587937772 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cncc(Br)c3[nH]1)CC2 ZINC000587937802 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cncc(Br)c3[nH]1)CC2 ZINC000587937803 FI Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OC ZINC000587937823 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937886 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937887 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937888 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937889 FI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587938028 FI Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587938030 FI Annotated Bother CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(C)c1O ZINC000587938083 FI Annotated Anodyne COc1ccc(C2(c3nc4cnc(Cl)[nH]c-4n3)CC3(CCC3)C2)cc1 ZINC000587938104 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587938194 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587938195 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587938196 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587938197 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587938208 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587938209 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587938211 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587938212 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587938346 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587938347 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587938348 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587938349 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cnc3[nH]1)CC2 ZINC000587938433 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cnc3[nH]1)CC2 ZINC000587938434 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938445 FI Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccccc4F)c3O)c2)=N1 ZINC000587938453 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587938456 FI Annotated Anodyne COc1ccc(C2(c3nc4c(Cl)ncnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938533 FI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587938674 FI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587938675 FI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587938676 FI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587938677 FI Annotated Anodyne Cc1ncc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)nc1Br ZINC000587939130 FI Annotated Anodyne Oc1ccc(OCCCc2ccccc2)n1-c1ccnc(Br)c1 ZINC000587939150 FI Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1ccnc(CCl)n1 ZINC000587939213 FI Annotated Reactive CC(C)(C)c1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 ZINC000587939341 FI Annotated Reactive COc1cc(-c2ccccc2)c(OC)n1-c1cnc(C)c(Br)n1 ZINC000587939373 FI Annotated Anodyne Cc1cc2c(n1NCc1ccccc1Br)CC(C)(C)CC2=O ZINC000587939445 FI Annotated Anodyne CCOc1cc(-n2c(O)ccc2OC(C)(C)C)c(Cl)cc1C(=O)O ZINC000587939480 FI Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccnc(CCl)n1 ZINC000587939662 FI Annotated Reactive COc1cc(-c2ccccc2)c(OC)n1-c1ccnc(Br)c1 ZINC000587939668 FI Annotated Anodyne Oc1cc(-c2ccco2)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939700 FI Annotated Anodyne Oc1cc(-c2ccccc2)c(O)n1NCc1ccccc1Br ZINC000587939995 FI Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587940010 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n(NCc2ccccc2Br)c1O ZINC000587940021 FI Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1ccnc(Br)c1 ZINC000587940200 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1NCc1ccccc1Br ZINC000587940300 FI Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccnc(Br)c1 ZINC000587940851 FI Annotated Anodyne C=CCOc1ccc(OCC=C)n1NCc1ccccc1Br ZINC000587940951 FI Annotated Mild COc1cc(C(C)=O)c(OC)n1-c1cc(Cl)cc(Br)c1 ZINC000587940973 FI Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1ccnc(Br)c1 ZINC000587940981 FI Annotated Anodyne Cc1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 ZINC000587941003 FI Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccnc(Br)c1 ZINC000587941063 FI Annotated Anodyne Oc1cc(C2CCCCC2)c(O)n1NCc1ccccc1Br ZINC000587941278 FI Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1ccnc(CCl)n1 ZINC000587941507 FI Annotated Reactive Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1ccnc(CCl)n1 ZINC000587941617 FI Annotated Reactive Oc1ccc(OCc2ccccc2)n1NCc1ccccc1Br ZINC000587941751 FI Annotated Anodyne Cc1ccccc1-c1cc(O)n(NCc2ccccc2Br)c1O ZINC000587941760 FI Annotated Anodyne CCOc1cc(-n2c(OC)ccc2OC(C)(C)C)c(Cl)cc1C(=O)O ZINC000587941807 FI Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccnc(CCl)n2)s1 ZINC000587942040 FI Annotated Reactive CCOc1cc(-n2c(OC(C)(C)C)cc(C)c2O)c(Cl)cc1C(=O)O ZINC000587942048 FI Annotated Anodyne CCOC(=O)c1cc(C)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1C ZINC000587942170 FI Annotated Clean C=C(C(=O)O)c1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943083 FI Annotated Anodyne COc1cc(C#N)c(OC)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943139 FI Annotated Mild CCOc1cc(C=O)c(OCC)n1-c1cc(F)c(Br)cc1F ZINC000587943535 FI Annotated Anodyne COC(=O)c1cc(OC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OC ZINC000587943536 FI Annotated Anodyne CCOc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943574 FI Annotated Anodyne CCOC(=O)c1cc(C)n(-c2cc(F)c(Br)cc2F)c1C ZINC000587943653 FI Annotated Clean Oc1cc(-c2ccco2)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943696 FI Annotated Anodyne COc1c(C)cc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944004 FI Annotated Anodyne Cc1c(C)c(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587944028 FI Annotated Anodyne COc1cc(C)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944163 FI Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944217 FI Annotated Mild Cc1cc(-n2c(O)cc(-c3ccccc3)c2O)nn1Cc1ccccc1F ZINC000587944258 FI Annotated Anodyne C=CCOc1ccc(OCC=C)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944280 FI Annotated Mild C=CCOc1ccc(OCC=C)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944281 FI Annotated Mild CCOc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944301 FI Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944561 FI Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCc1ccccc1 ZINC000587944606 FI Annotated Anodyne CC(C)c1cc(OC(C)(C)C)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587944609 FI Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCc1ccccc1 ZINC000587944610 FI Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944746 FI Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(Cc2ccccc2)c1O ZINC000587944750 FI Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(Cc2ccccc2)c1O ZINC000587944751 FI Annotated Anodyne COc1cc(C#N)c(OC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944758 FI Annotated Mild COc1cc(C#N)c(OC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944759 FI Annotated Mild Cc1ccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 ZINC000587944884 FI Annotated Anodyne Cc1ccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 ZINC000587944887 FI Annotated Anodyne Cc1ccccc1-c1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587945043 FI Annotated Anodyne Cc1ccccc1-c1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587945044 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945149 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945158 FI Annotated Anodyne COc1cc(C#N)c(OC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945304 FI Annotated Mild C=C(C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587945333 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945348 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587945360 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587945394 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587945395 FI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 ZINC000587945452 FI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 ZINC000587945453 FI Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945827 FI Annotated Anodyne Cc1c(C)c(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945944 FI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)CC2 ZINC000587946005 FI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)CC2 ZINC000587946006 FI Annotated Anodyne Oc1cc(C2CCCCC2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946077 FI Annotated Anodyne Oc1cc(-c2ccccc2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946153 FI Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587946407 FI Annotated Anodyne O=C(O)c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587946408 FI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946467 FI Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2)c1O ZINC000587946554 FI Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2)c1O ZINC000587946560 FI Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946784 FI Annotated Mild Oc1cc(-c2ccccc2Cl)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946871 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 ZINC000587949213 FI Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 ZINC000587949214 FI Annotated Anodyne N=c1[nH]c2nc(/C=C\c3ccccc3Oc3ccccc3)nc-2c(Cl)[nH]1 ZINC000587949228 FI Annotated Anodyne N=c1[nH]c2nc(/C=C/c3ccccc3Oc3ccccc3)nc-2c(Cl)[nH]1 ZINC000587949229 FI Annotated Anodyne NNC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949385 FI Annotated Reactive NNC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949386 FI Annotated Reactive Sc1nc(S)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 ZINC000587949390 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587949737 FI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)c(F)c(F)c4[nH]1)(C3)C2 ZINC000587949740 FI Annotated Anodyne c1c2c(cc3[nH]c(COC45CC6CC(CC(C6)C4)C5)nc13)OCCCO2 ZINC000587949957 FI Annotated Anodyne Fc1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1-n1cccn1 ZINC000587949989 FI Annotated Anodyne C=CCc1cccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12 ZINC000587949990 FI Annotated Mild FC(F)(F)c1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587949991 FI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(C)(C)C)nc4[nH]1)(C3)C2 ZINC000587950001 FI Annotated Anodyne COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1Cl ZINC000587950132 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 ZINC000587950174 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 ZINC000587950183 FI Annotated Anodyne N#Cc1nc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2nc1C#N ZINC000587950216 FI Annotated Mild N#Cc1nc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2nc1C#N ZINC000587950228 FI Annotated Mild CO[C@@H](C)COC1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 ZINC000587950596 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 ZINC000587950597 FI Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587950622 FI Annotated Anodyne Brc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1 ZINC000587950640 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 ZINC000587950730 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 ZINC000587950745 FI Annotated Anodyne Brc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1 ZINC000587950821 FI Annotated Anodyne Brc1ccnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587950822 FI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cnc5ccccc5c4[nH]1)(C3)C2 ZINC000587950833 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587950915 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587950999 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587951012 FI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)cnc(Cl)c4[nH]1)(C3)C2 ZINC000587951013 FI Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 ZINC000587951101 FI Annotated Anodyne FC1(F)Oc2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc2O1 ZINC000587951107 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587951209 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587951210 FI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C#N)cc(Cl)c4[nH]1)(C3)C2 ZINC000587951317 FI Annotated Mild Brc1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587951342 FI Annotated Anodyne COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1C ZINC000587951343 FI Annotated Anodyne O=C1COc2cc3[nH]c(Cc4ccccc4Oc4ccccc4)nc3cc2N1 ZINC000587951347 FI Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 ZINC000587951372 FI Annotated Anodyne CSc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587951449 FI Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587951501 FI Annotated Anodyne Brc1cncc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587951505 FI Annotated Anodyne Brc1nccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587951507 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 ZINC000587951588 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 ZINC000587951589 FI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc5ncccc5c4[nH]1)(C3)C2 ZINC000587951636 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 ZINC000587951641 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 ZINC000587951642 FI Annotated Anodyne FC(F)(F)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1 ZINC000587951659 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587951698 FI Annotated Bother CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587951700 FI Annotated Bother CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587951701 FI Annotated Bother CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587951702 FI Annotated Bother CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587951933 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587951934 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587951935 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587951936 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587951955 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587951956 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587951957 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587951958 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000587952173 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000587952174 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 ZINC000587952319 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 ZINC000587952320 FI Annotated Anodyne COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1Cl ZINC000587952349 FI Annotated Anodyne COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1Cl ZINC000587952350 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587952447 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587952448 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587952449 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587952450 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC000587952549 FI Annotated Bother CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC000587952550 FI Annotated Bother CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 ZINC000587952557 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 ZINC000587952558 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587952569 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587952570 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587952571 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587952572 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 ZINC000587952686 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 ZINC000587952687 FI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 ZINC000587952733 FI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 ZINC000587952734 FI Annotated Anodyne O=C(CCc1ccccc1)c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587953046 FI Annotated Bother CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587953099 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587953105 FI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587953106 FI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587953107 FI Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587953320 FI Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587953843 FI Annotated Anodyne C=CCC(C)(C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587954311 FI Annotated Mild C=CCC(C)(C)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587954417 FI Annotated Mild C=CCC(C)(C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587954531 FI Annotated Mild Cc1ccccc1C(C)(C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587954766 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587954786 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587954931 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587954938 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587954947 FI Annotated Anodyne O=C1COc2cc3[nH]c([C@@H](Cc4ccccc4)c4ccccc4)nc3cc2N1 ZINC000587955226 FI Annotated Anodyne O=C1COc2cc3[nH]c([C@H](Cc4ccccc4)c4ccccc4)nc3cc2N1 ZINC000587955227 FI Annotated Anodyne Sc1nc(S)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587955449 FI Annotated Anodyne Sc1nc(S)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587955453 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587955503 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587955552 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587955774 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587955779 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000587955838 FI Annotated Anodyne CCCOc1cc2nc(CC(C)(C)CC(=O)O)[nH]c2cc1Br ZINC000587955844 FI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCC)C(C)C)[nH]c2c1 ZINC000587955874 FI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CCC)C(C)C)[nH]c2c1 ZINC000587955876 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587956071 FI Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587956072 FI Annotated Anodyne CC(C)Oc1cc2nc(CC(C)(C)CC(=O)O)[nH]c2cc1Br ZINC000587956073 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000587956079 FI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587956109 FI Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587956110 FI Annotated Anodyne COC(=O)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000587956313 FI Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000587956314 FI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587956315 FI Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587956396 FI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCC(=O)c3ccc(CC)cc3)[nH]c2c1 ZINC000587956418 FI Annotated Anodyne CC#CCCCCCCCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587956430 FI Annotated Mild CC#CCCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587956888 FI Annotated Mild CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587956911 FI Annotated Anodyne CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(CC)cc3)[nH]c2c1 ZINC000587956991 FI Annotated Anodyne CCC[C@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000587957036 FI Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000587957037 FI Annotated Anodyne CC#CCCCCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587957200 FI Annotated Mild CCc1ccc(C(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587957204 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587958449 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587958803 FI Annotated Bother CC[C@]1(Cc2nc3cc(OC)c(OC)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958915 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc(OC)c(OC)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958916 FI Annotated Anodyne CC[C@]1(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959100 FI Annotated Mild CC[C@@]1(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959104 FI Annotated Mild COC(=O)c1cc(Br)c2[nH]c(Cc3cc(C)ccc3C)nc2c1 ZINC000587959235 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc3cccc(I)c3[nH]2)c1 ZINC000587959357 FI Annotated Anodyne CC[C@]1(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959507 FI Annotated Anodyne CC[C@@]1(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959508 FI Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587959524 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959770 FI Annotated Anodyne CC[C@]1(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959773 FI Annotated Anodyne Brc1c[nH]c2nc(Cc3ccccc3-c3ccccc3)nc-2n1 ZINC000587959791 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587959838 FI Annotated Bother COC(=O)c1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cn1 ZINC000587959922 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959940 FI Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587959941 FI Annotated Anodyne CC[C@]1(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959942 FI Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 ZINC000587959999 FI Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 ZINC000587960130 FI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 ZINC000587960166 FI Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(I)cc3[nH]2)c1 ZINC000587960237 FI Annotated Anodyne CC[C@]1(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960488 FI Annotated Anodyne CC[C@]1(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960495 FI Annotated Anodyne CC[C@@]1(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960499 FI Annotated Anodyne CC[C@@]1(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960502 FI Annotated Anodyne CC1=C(c2ccc3nc(CC4CCC(C)(C)CC4)[nH]c3c2)NNC(=O)C1 ZINC000587960570 FI Annotated Anodyne CCCOc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br ZINC000587961038 FI Annotated Anodyne CCCOc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br ZINC000587961051 FI Annotated Anodyne CCCOc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br ZINC000587961055 FI Annotated Anodyne CCCOc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br ZINC000587961060 FI Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CC3CCCCCC3)nc-2[nH]1 ZINC000587961117 FI Annotated Anodyne CC[C@]1(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC(=O)c2ccccc2C1 ZINC000587961125 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC(=O)c2ccccc2C1 ZINC000587961140 FI Annotated Anodyne CC[C@]1(Cc2nc3cc(OC)cc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961262 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc(OC)cc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961265 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961267 FI Annotated Mild CC[C@]1(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961287 FI Annotated Mild CC(C)Oc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br ZINC000587961289 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961590 FI Annotated Bother CC[C@]1(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961593 FI Annotated Bother Brc1c[nH]c2nc(Cc3cccc(-c4ccccc4)c3)nc-2n1 ZINC000587961631 FI Annotated Anodyne CC(C)Oc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br ZINC000587961663 FI Annotated Anodyne O=S(=O)(c1ccc2nc(CC3CCCCCC3)[nH]c2c1)C(F)(F)F ZINC000587961664 FI Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587961671 FI Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587961728 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc(OC)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961781 FI Annotated Anodyne CC[C@]1(Cc2nc3cc(OC)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961782 FI Annotated Anodyne CCCOc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br ZINC000587961806 FI Annotated Anodyne CCCOc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br ZINC000587961808 FI Annotated Anodyne Ic1cnc2[nH]c(CC3CCCCCC3)nc2c1 ZINC000587961831 FI Annotated Anodyne CC(C)Oc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br ZINC000587961929 FI Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br ZINC000587961931 FI Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br ZINC000587961933 FI Annotated Anodyne CC(C)Oc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br ZINC000587961935 FI Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000587962085 FI Annotated Anodyne CC[C@]1(Cc2nc3cc4c(cc3[nH]2)OCCO4)CC(=O)c2ccccc2C1 ZINC000587962328 FI Annotated Anodyne CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)OCCO4)CC(=O)c2ccccc2C1 ZINC000587962329 FI Annotated Anodyne CC[C@]1(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)CC(=O)c2ccccc2C1 ZINC000587962624 FI Annotated Anodyne CC[C@@]1(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)CC(=O)c2ccccc2C1 ZINC000587962629 FI Annotated Anodyne CC[C@]1(Cc2nc3cccc(C(=O)OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962644 FI Annotated Anodyne CC[C@@]1(Cc2nc3cccc(C(=O)OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962646 FI Annotated Anodyne Sc1nc(S)c2nc(Cc3ccccc3-c3ccccc3)[nH]c2n1 ZINC000587962658 FI Annotated Anodyne Cc1c(Br)cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1C ZINC000587962682 FI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc1-2 ZINC000587962704 FI Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3c2)cc1 ZINC000587962776 FI Annotated Clean C[C@H](CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)CC(=O)O ZINC000587963171 FI Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963478 FI Annotated Anodyne CC1(C)CCC(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000587963568 FI Annotated Anodyne CC1(C)CCC(Cc2nc3cc(I)cnc3[nH]2)CC1 ZINC000587964009 FI Annotated Anodyne CCCCOc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br ZINC000587964811 FI Annotated Anodyne CCCCOc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br ZINC000587964813 FI Annotated Anodyne CN(C)CCOc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587965522 FI Annotated Anodyne CCCC/C=C/c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587965808 FI Annotated Anodyne CCCC/C=C\c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587965811 FI Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587966142 FI Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587966144 FI Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587966279 FI Annotated Anodyne CC1=C(c2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)NNC(=O)C1 ZINC000587966628 FI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 ZINC000587966859 FI Annotated Anodyne CC(C)COc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br ZINC000587966866 FI Annotated Anodyne CC(C)COc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br ZINC000587966867 FI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587966929 FI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587966930 FI Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587966975 FI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587966976 FI Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587967070 FI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587967076 FI Annotated Mild COC(=O)c1cc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1OC ZINC000587967136 FI Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587967434 FI Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587967436 FI Annotated Mild CC1=C(c2ccc3nc(/C=C(\C)C4CCCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587967456 FI Annotated Anodyne CC1=C(c2ccc3nc(/C=C(/C)C4CCCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587967466 FI Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3c2)NNC(=O)C1 ZINC000587967701 FI Annotated Anodyne O=C(O)/C=C/C=C\c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587967817 FI Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587967822 FI Annotated Anodyne CC/C(=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(C)cc1 ZINC000587968035 FI Annotated Anodyne CC/C(=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(C)cc1 ZINC000587968036 FI Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12 ZINC000587968120 FI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 ZINC000587968376 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)c(F)cc4[nH]1)(C3)C2 ZINC000587968407 FI Annotated Anodyne Cc1cc(Br)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 ZINC000587968447 FI Annotated Anodyne CC/C(=C\c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 ZINC000587968473 FI Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 ZINC000587968475 FI Annotated Anodyne C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587968488 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)c(F)cc4[nH]1)(C3)C2 ZINC000587968513 FI Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(I)cnc3[nH]2)C1 ZINC000587968573 FI Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587968610 FI Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587968613 FI Annotated Mild O=[N+]([O-])c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1[N+](=O)[O-] ZINC000587968634 FI Annotated Bother O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(OC(F)(F)F)cc4[nH]1)(C3)C2 ZINC000587968802 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c5cccnc5c5ncccc5c4[nH]1)(C3)C2 ZINC000587968842 FI Annotated Bother O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(F)cc(C(F)(F)F)c4[nH]1)(C3)C2 ZINC000587968919 FI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)cc1N ZINC000587968937 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc5nc6ccccc6nc5cc4[nH]1)(C3)C2 ZINC000587968942 FI Annotated Bother COC(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1OC ZINC000587968963 FI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/C(=O)c3ccc(C)cc3)nc2c1 ZINC000587969042 FI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(/C=C\C(=O)c3ccc(C)cc3)nc2c1 ZINC000587969046 FI Annotated Mild Cc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br ZINC000587969293 FI Annotated Anodyne N#Cc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1C(F)(F)F ZINC000587969326 FI Annotated Mild O=C(c1ccccc1)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587969353 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(F)c(Br)c4[nH]1)(C3)C2 ZINC000587969591 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc(OC(F)(F)F)c4[nH]1)(C3)C2 ZINC000587969616 FI Annotated Anodyne Cc1c(Br)ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 ZINC000587969620 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(F)cc(Br)c4[nH]1)(C3)C2 ZINC000587969622 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cc(F)c4[nH]1)(C3)C2 ZINC000587969626 FI Annotated Anodyne COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1OC ZINC000587969916 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 ZINC000587969920 FI Annotated Bother CCOC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000587970001 FI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)c(F)c4[nH]1)(C3)C2 ZINC000587970120 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccc(Br)nc3[nH]2)CC1 ZINC000587970201 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(Br)ccnc3[nH]2)CC1 ZINC000587970430 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccnc(Br)c3[nH]2)CC1 ZINC000587970566 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Br)ncc3[nH]2)CC1 ZINC000587970593 FI Annotated Anodyne COc1cc(OC)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2c1 ZINC000587970675 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 ZINC000587970930 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 ZINC000587971100 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 ZINC000587971152 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Br)cnc3[nH]2)CC1 ZINC000587971187 FI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cncc(Br)c3[nH]2)CC1 ZINC000587971242 FI Annotated Anodyne COc1cc2nncc(-c3cnc(NC(C)C)c(C4CC4)c3)c2cc1OC ZINC000059047316 FI Annotated Anodyne CC(=O)O[C@H]1CC2=C(COC2=O)[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 ZINC000059110247 FI Annotated Anodyne CC(=O)O[C@@H]1CC2=C(COC2=O)[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 ZINC000059110251 FI Annotated Anodyne CC(=O)OC1=C(C)C(=O)[C@]23[C@H](C=C(C)C)C[C@H](C)[C@H]2CC[C@H](C)[C@H]3C1=O ZINC000059110598 FI Annotated Mild Nc1nc2c(c(Nc3ccc(Br)cc3)n1)-c1ccccc1C2 ZINC000059111540 FI Annotated Anodyne C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@H](CC)OC)O1 ZINC000059151552 FI Annotated Reactive C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@@H](CC)OC)O1 ZINC000059151554 FI Annotated Reactive C#C/C=C\C[C@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@H](CC)OC)O1 ZINC000059151555 FI Annotated Reactive C#C/C=C\C[C@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@@H](CC)OC)O1 ZINC000059151556 FI Annotated Reactive COc1ccc2c(c1)OC[C@H]1c3cc(O)c4c(c3O[C@@H]21)C=CC(C)(C)O4 ZINC000059205286 FI Annotated Anodyne C/C(=N/N/C(S)=N/C(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000059213978 FI Annotated Mild C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 ZINC000059262429 FI Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 ZINC000059262430 FI Annotated Anodyne Cc1c(O)ccc2c1CCC/C2=N\NC(=O)Cc1cccc2ccccc12 ZINC000059378805 FI Annotated Reactive Cc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)C[C@@H]2C)c1 ZINC000059503681 FI Annotated Anodyne CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](C)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 ZINC000059588825 FI Annotated Anodyne in-vitro biogenic CCCCOC(C)(C)[C@@H](O)COCc1c2ccoc2cc2oc(=O)ccc12 ZINC000059589133 FI Annotated Anodyne in-vitro biogenic CCOc1ccccc1[C@H]1c2c(-c3ccccc3)noc2NC(=N)[C@H]1C#N ZINC000059796477 FI Annotated Mild CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2c3ccccc3C[C@@H]12 ZINC000059889203 FI Annotated Anodyne C[C@@H](C(=O)COCc1ccccc1)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002152 FI Annotated Anodyne C[C@H](C(=O)COCc1ccccc1)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002153 FI Annotated Anodyne C[C@@H](C(=O)COCc1ccccc1)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002156 FI Annotated Anodyne COC(=O)c1cc2c(cc1C[C@@H]1Cc3cc4c(cc3C1=O)CCC4)CCC2 ZINC000006003320 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2\C[C@H](C)OC3=C2CCCCCC3)cc1 ZINC000006004982 FI Annotated Mild Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H](C)OC3=C2CCCCCC3)cc1 ZINC000006004984 FI Annotated Mild Cc1ccc(S(=O)(=O)C2=Cc3ccccc3[C@]2(O)c2ccccc2)cc1 ZINC000006005234 FI Annotated Anodyne CS/C=C\C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 ZINC000006005428 FI Annotated Anodyne Cc1cc(Nc2ccc(NS(C)(=O)=O)cc2)c2c(ccc3[nH]ccc32)n1 ZINC000006009956 FI Annotated Anodyne C=CCN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC1=S ZINC000006018103 FI Annotated Mild O=C1C[C@@H](n2cccc2)c2c(Br)sc(Br)c21 ZINC000006018128 FI Annotated Anodyne COC(=O)[C@@H]1[C@@H](C)c2ccc3c([nH]c4ccccc43)c2[C@H](C)[C@H]1C(=O)OC ZINC000006018173 FI Annotated Anodyne Oc1ccccc1/C=N/Nc1nnc2c3ccccc3c3ccccc3c2n1 ZINC000006018181 FI Annotated Mild CCN(CC)/C(Cl)=C(Cl)\C(=C1\Nc2ccc(OC)cc21)[N+](=O)[O-] ZINC000006018623 FI Annotated Anodyne COc1ccc2c(c1)/C(=C(C(\Cl)=C(\Cl)N1CCCCC1)/[N+](=O)[O-])N2 ZINC000006018624 FI Annotated Anodyne COC(=O)/C=C(/C(=O)OC)c1cc2ccc3c([nH]c4ccccc43)c(C)c-2c1 ZINC000006019525 FI Annotated Bother Cc1cc2c(cc1Cl)S[C@@H](c1ccccc1)C(O)=NS2(=O)=O ZINC000006019874 FI Annotated Anodyne CC(C)(C)C1=Nn2c(nnc2-c2ccc(Br)cc2)SC1 ZINC000006022800 FI Annotated Anodyne C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@@H](C)CN1C ZINC000006037844 FI Annotated Mild in-vitro N#CC1=C(N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000006041289 FI Annotated Reactive N#CC1=C(N)OC2=C(CCCc3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006041291 FI Annotated Reactive O[C@]1(c2ccc3ccccc3c2)c2ccc3ccccc3c2C2=NCCN21 ZINC000006041418 FI Annotated Anodyne O=C1C=CC2(C=C1)O[C@H](CCc1ccccc1)[C@@H](CCc1ccccc1)O2 ZINC000006041733 FI Annotated Mild Cc1cc(C)c(C[C@H]2COC(=O)[C@]2(O)Cc2c(C)cc(C)cc2C)c(C)c1 ZINC000006041931 FI Annotated Anodyne CC1(C)C=Cc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@H]31)OCO4 ZINC000006201924 FI Annotated Anodyne CC1(C)C=Cc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@H]31)OCO4 ZINC000006201926 FI Annotated Anodyne CC1(C)C=Cc2cc3c(cc2O1)OC[C@@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000006201928 FI Annotated Anodyne Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(Br)cc1 ZINC000006288103 FI Annotated Mild Cc1noc(C)c1CN(C(=S)N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1 ZINC000006328750 FI Annotated Anodyne CCc1cc2c(c3c1CCCC3=O)C[C@]1(Cc3ccc(C(=O)OC)cc3C1)C2 ZINC000006371687 FI Annotated Anodyne CCCO[C@H]1C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F ZINC000006380680 FI Annotated Mild CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@H](C)[C@H]3O ZINC000006381592 FI Annotated Anodyne CCN(CC)Cc1ccc2nc3ccc(CN(CC)CC)cc3nc2c1 ZINC000006382516 FI Annotated Bother CCOC(=O)c1cc(C2=C(S)N(C[C@@H](C)CC)CC2)c(C(=O)CC)[nH]1 ZINC000006412280 FI Annotated Anodyne CCc1c(Oc2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O ZINC000006424894 FI Annotated Anodyne CCc1c(Sc2ccccc2)n(C/C=C/c2cccs2)c(=O)[nH]c1=O ZINC000006424970 FI Annotated Anodyne C=CC/C=C/C/C=C/CCCCCCCC(=O)[C@@]1(O)OC(=O)C=C1OC ZINC000006482810 FI Annotated Mild in-man endogenous Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccccc1)SC(=N)N2 ZINC000006483912 FI Annotated Anodyne Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccco1)SC(=N)N2 ZINC000006483934 FI Annotated Anodyne C=CCC[C@H](C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000006487323 FI Annotated Mild Cc1c(/N=C2\Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C ZINC000006498476 FI Annotated Mild C#CCN1CCC2(CC1)C(=O)c1cc(Cl)ccc1Oc1ccccc12 ZINC000060051752 FI Annotated Mild CCOC(=O)C1(CCOC)CCN(Cc2cc3ccccc3s2)CC1 ZINC000061688091 FI Annotated Anodyne c1ccc(C2(CN3CCNC[C@H]3Cc3cccc4ccccc34)CC2)cc1 ZINC000061711160 FI Annotated Anodyne COc1cc([C@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)ccc1F ZINC000061895361 FI Annotated Anodyne COc1cc([C@@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)ccc1F ZINC000061895362 FI Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000061895676 FI Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000061895677 FI Annotated Anodyne C[C@]1(Oc2cccc(C#N)c2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061895681 FI Annotated Mild C[C@@]1(Oc2cccc(C#N)c2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061895682 FI Annotated Mild Cn1c(NCc2ccccc2F)nc2cc(-c3ccccc3)sc2c1=O ZINC000061895811 FI Annotated Anodyne COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4ccncc4)cn23)c1 ZINC000061895828 FI Annotated Anodyne C[C@]1(Oc2ccc(F)cc2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061895856 FI Annotated Anodyne C[C@@]1(Oc2ccc(F)cc2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061895857 FI Annotated Anodyne CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061896065 FI Annotated Anodyne CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061896066 FI Annotated Anodyne C/C(O)=N\c1cccc(-c2ccnc3c2C[C@H](/C(O)=N/c2cccnc2)O3)c1 ZINC000061896200 FI Annotated Mild C/C(O)=N\c1cccc(-c2ccnc3c2C[C@@H](/C(O)=N/c2cccnc2)O3)c1 ZINC000061896201 FI Annotated Mild O[C@H](c1ccc(CN2CCCCC2)cc1)c1ncc(-c2ccccc2F)[nH]1 ZINC000061896214 FI Annotated Anodyne O[C@@H](c1ccc(CN2CCCCC2)cc1)c1ncc(-c2ccccc2F)[nH]1 ZINC000061896216 FI Annotated Anodyne O/C(=N\CCC(F)(F)F)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061897082 FI Annotated Mild O/C(=N\CCC(F)(F)F)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061897083 FI Annotated Mild CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2ccc(N(C)C)cc2)cs1 ZINC000061897089 FI Annotated Anodyne CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2ccc(N(C)C)cc2)cs1 ZINC000061897091 FI Annotated Anodyne COc1cccc(CNc2nc(NC(C)C)nc3ccsc23)c1OC ZINC000061897097 FI Annotated Anodyne N[C@@H](CCc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 ZINC000061897214 FI Annotated Anodyne N[C@H](CCc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 ZINC000061897217 FI Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2c(-c3ccco3)ccnc2O1 ZINC000061897812 FI Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2c(-c3ccco3)ccnc2O1 ZINC000061897814 FI Annotated Anodyne OCc1cccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061902575 FI Annotated Anodyne OCc1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061902577 FI Annotated Anodyne CCCCNC(=O)c1ccc2nc(CC)c(N(C)Cc3cccs3)n2c1 ZINC000061902646 FI Annotated Anodyne C[C@]1(Oc2ccc(CC#N)cc2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061903041 FI Annotated Mild C[C@@]1(Oc2ccc(CC#N)cc2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061903042 FI Annotated Mild COc1cccc([C@@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 ZINC000061903226 FI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 ZINC000061903227 FI Annotated Anodyne C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccccc1Cl ZINC000061903477 FI Annotated Anodyne C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccccc1Cl ZINC000061903478 FI Annotated Anodyne CCC(CC)C(=O)N(C)c1c(C)nc2c(OCC(=O)C(C)(C)C)cccn12 ZINC000061903754 FI Annotated Anodyne O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000061903795 FI Annotated Anodyne O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000061903796 FI Annotated Anodyne CCc1ccc(O[C@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061903851 FI Annotated Anodyne CCc1ccc(O[C@@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061903852 FI Annotated Anodyne CN(C(=O)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1)c1ccccc1 ZINC000061903958 FI Annotated Anodyne CN(C(=O)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1)c1ccccc1 ZINC000061903960 FI Annotated Anodyne CC(C)NC(=O)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061904106 FI Annotated Anodyne CC(C)NC(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061904107 FI Annotated Anodyne COc1cc([C@@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)ccc1F ZINC000061904197 FI Annotated Anodyne COc1cc([C@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)ccc1F ZINC000061904198 FI Annotated Anodyne COc1ccccc1-c1cc(NC=O)c2ncc(-c3ccc(F)cc3)n2c1 ZINC000061904217 FI Annotated Anodyne COCOc1cccc(CN2CC[C@](C)(Oc3ccc(SC)cc3)C2)c1 ZINC000061904280 FI Annotated Anodyne COCOc1cccc(CN2CC[C@@](C)(Oc3ccc(SC)cc3)C2)c1 ZINC000061904281 FI Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061904288 FI Annotated Anodyne O=C(NCc1ccccc1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061904289 FI Annotated Anodyne O=C(NCc1cccs1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061904388 FI Annotated Anodyne O=C(NCc1cccs1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061904390 FI Annotated Anodyne COCc1cccc(-c2csc([C@](C)(O)c3ccc(OC)cc3)n2)c1 ZINC000061904446 FI Annotated Anodyne COCc1cccc(-c2csc([C@@](C)(O)c3ccc(OC)cc3)n2)c1 ZINC000061904447 FI Annotated Anodyne COc1cccc(CN2CC[C@](C)(Oc3cccc(Cl)c3)C2)c1OC ZINC000061904532 FI Annotated Anodyne COc1cccc(CN2CC[C@@](C)(Oc3cccc(Cl)c3)C2)c1OC ZINC000061904533 FI Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc2sccc2c1 ZINC000061904723 FI Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc2sccc2c1 ZINC000061904724 FI Annotated Anodyne COc1ccccc1-c1csc([C@@](C)(NC(C)=O)c2ccccc2)n1 ZINC000061904830 FI Annotated Anodyne COc1ccccc1-c1csc([C@](C)(NC(C)=O)c2ccccc2)n1 ZINC000061904831 FI Annotated Anodyne CSc1ccc(O[C@@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061905087 FI Annotated Anodyne CSc1ccc(O[C@]2(C)CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061905088 FI Annotated Anodyne CCc1cnc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)nc1 ZINC000061905168 FI Annotated Anodyne CCc1cnc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)nc1 ZINC000061905169 FI Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)C(C)(C)C)cccn12 ZINC000061905250 FI Annotated Anodyne COC(=O)c1cccc(CN2C(=O)[C@@H](C)Sc3cc(Cl)ccc32)c1 ZINC000061905360 FI Annotated Anodyne COC(=O)c1cccc(CN2C(=O)[C@H](C)Sc3cc(Cl)ccc32)c1 ZINC000061905361 FI Annotated Anodyne COc1ccc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)cc1OC ZINC000061905428 FI Annotated Anodyne CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)c1 ZINC000061905459 FI Annotated Anodyne COc1ccccc1NC(=O)Nc1nc([C@H](N)C2CCCCC2)cs1 ZINC000061905569 FI Annotated Anodyne COc1ccccc1NC(=O)Nc1nc([C@@H](N)C2CCCCC2)cs1 ZINC000061905570 FI Annotated Anodyne N[C@@H](c1csc(Nc2nccc(C(F)(F)F)n2)n1)C1CCCCC1 ZINC000061905613 FI Annotated Anodyne N[C@H](c1csc(Nc2nccc(C(F)(F)F)n2)n1)C1CCCCC1 ZINC000061905614 FI Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 ZINC000061905676 FI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 ZINC000061905677 FI Annotated Anodyne C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)CCC1CCCC1 ZINC000061905828 FI Annotated Anodyne C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)CCC1CCCC1 ZINC000061905829 FI Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4ccccc4)n3c2)cc1OC ZINC000061905836 FI Annotated Anodyne CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccnn3C)c3ccoc23)cc1 ZINC000061905865 FI Annotated Anodyne C[C@]1(C(=O)Nc2cccc3cccnc23)CCN1C(=O)CCC1CCCC1 ZINC000061905871 FI Annotated Anodyne C[C@@]1(C(=O)Nc2cccc3cccnc23)CCN1C(=O)CCC1CCCC1 ZINC000061905872 FI Annotated Anodyne COc1ccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cn1 ZINC000061905998 FI Annotated Anodyne COCc1cccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)c1 ZINC000061906197 FI Annotated Anodyne COCc1cccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)c1 ZINC000061906198 FI Annotated Anodyne COc1ccc(OC)c([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 ZINC000061906313 FI Annotated Anodyne COc1ccc(OC)c([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 ZINC000061906314 FI Annotated Anodyne Cc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)Cc1cccs1 ZINC000061906504 FI Annotated Anodyne Cc1c(C(=O)N2CCCCC[C@@]2(C)C(=O)NCC(C)C)oc2ccccc12 ZINC000061906505 FI Annotated Anodyne Cc1c(C(=O)N2CCCCC[C@]2(C)C(=O)NCC(C)C)oc2ccccc12 ZINC000061906506 FI Annotated Anodyne Cn1c(NCc2ccccc2F)nc2cc(-c3ccsc3)sc2c1=O ZINC000061906550 FI Annotated Anodyne CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2sccc2C)cc1 ZINC000061906764 FI Annotated Anodyne CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2sccc2C)cc1 ZINC000061906765 FI Annotated Anodyne CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccs2)cs1 ZINC000061906772 FI Annotated Anodyne CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccs2)cs1 ZINC000061906773 FI Annotated Anodyne COc1ccc(O[C@@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 ZINC000061906894 FI Annotated Anodyne COc1ccc(O[C@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 ZINC000061906895 FI Annotated Anodyne COc1cc(F)ccc1-c1csc([C@@](C)(NC(C)=O)c2ccccc2)n1 ZINC000061906942 FI Annotated Anodyne COc1cc(F)ccc1-c1csc([C@](C)(NC(C)=O)c2ccccc2)n1 ZINC000061906943 FI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 ZINC000061906960 FI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 ZINC000061906961 FI Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(OC)c4)n3c2)cc1 ZINC000061907412 FI Annotated Anodyne COc1cccc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061907421 FI Annotated Anodyne COc1cccc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061907422 FI Annotated Anodyne COCc1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)c1 ZINC000061907550 FI Annotated Anodyne COCc1cccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)c1 ZINC000061907551 FI Annotated Anodyne COc1ccccc1-c1csc([C@@H](NC(C)=O)c2cccc(F)c2)n1 ZINC000061908227 FI Annotated Anodyne COc1ccccc1-c1csc([C@H](NC(C)=O)c2cccc(F)c2)n1 ZINC000061908228 FI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000061908343 FI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000061908344 FI Annotated Anodyne N#Cc1cccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061908375 FI Annotated Mild N#Cc1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061908376 FI Annotated Mild Cc1cnc(C)c(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061908752 FI Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061908753 FI Annotated Anodyne Cc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccccc2OC(F)F)cc1 ZINC000061908961 FI Annotated Anodyne Cc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccccc2OC(F)F)cc1 ZINC000061908962 FI Annotated Anodyne CC(=O)Nc1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061909001 FI Annotated Anodyne CC(=O)Nc1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061909002 FI Annotated Anodyne COc1cccc(-c2ccc(C3=CC(=O)CC(C)(C)C3=O)cc2)c1OC ZINC000061921074 FI Annotated Mild COc1ccccc1-c1n[nH]nc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1 ZINC000061921107 FI Annotated Mild COc1cccc(-c2n[nH]nc2C2=CC(=O)C[C@H](c3ccc(F)cc3)C2)c1 ZINC000061921129 FI Annotated Mild CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O ZINC000061921279 FI Annotated Anodyne CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O ZINC000061921280 FI Annotated Anodyne CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)ccc1c2=O ZINC000061921299 FI Annotated Anodyne CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)ccc1c2=O ZINC000061921300 FI Annotated Anodyne CCC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000061923248 FI Annotated Anodyne CCC[C@H]1CN(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000061923282 FI Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2-n2nncc2C1 ZINC000061924049 FI Annotated Anodyne c1ccc(-c2ccc(CN3Cc4ccccc4-n4nncc4C3)cc2)cc1 ZINC000061924093 FI Annotated Anodyne COc1ccccc1-c1csc([C@@H](NC(C)=O)c2ccc(F)c(F)c2)n1 ZINC000061925629 FI Annotated Anodyne COc1ccccc1-c1csc([C@H](NC(C)=O)c2ccc(F)c(F)c2)n1 ZINC000061925630 FI Annotated Anodyne CSc1ccc(CN2CC[C@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000061925843 FI Annotated Anodyne CSc1ccc(CN2CC[C@@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000061925844 FI Annotated Anodyne COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccc(F)c3)cs2)cc1 ZINC000061925852 FI Annotated Anodyne COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccc(F)c3)cs2)cc1 ZINC000061925853 FI Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1c(Cl)cccc1Cl ZINC000061926018 FI Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1c(Cl)cccc1Cl ZINC000061926019 FI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061926075 FI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061926076 FI Annotated Anodyne Cc1noc(C)c1-c1ccc(C(=O)NCCC(F)(F)F)c2occc12 ZINC000061926077 FI Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061926202 FI Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061926203 FI Annotated Anodyne CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2ccc(N(C)C)cc2)cs1 ZINC000061926267 FI Annotated Anodyne CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2ccc(N(C)C)cc2)cs1 ZINC000061926268 FI Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 ZINC000061926345 FI Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 ZINC000061926346 FI Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1 ZINC000061926421 FI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1 ZINC000061926422 FI Annotated Anodyne CSc1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)c(O)c2)cc1 ZINC000061926559 FI Annotated Anodyne CSc1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc(C)c(O)c2)cc1 ZINC000061926560 FI Annotated Anodyne O=C(NCc1cccc(Cl)c1)[C@H]1Cc2c(-c3ccccc3)ccnc2O1 ZINC000061926807 FI Annotated Anodyne O=C(NCc1cccc(Cl)c1)[C@@H]1Cc2c(-c3ccccc3)ccnc2O1 ZINC000061926808 FI Annotated Anodyne COc1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cc1OC ZINC000061926999 FI Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cc1OC ZINC000061927000 FI Annotated Anodyne C[C@@]1(Cc2ccc3c(c2)OCO3)C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000061927099 FI Annotated Anodyne C[C@]1(Cc2ccc3c(c2)OCO3)C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000061927100 FI Annotated Anodyne N[C@H](Cc1ccc(F)cc1)c1csc(Nc2nncc3ccccc23)n1 ZINC000061927468 FI Annotated Anodyne N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2nncc3ccccc23)n1 ZINC000061927471 FI Annotated Anodyne N[C@@H](c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061927806 FI Annotated Anodyne N[C@H](c1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061927807 FI Annotated Anodyne C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 ZINC000061928281 FI Annotated Anodyne C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 ZINC000061928283 FI Annotated Anodyne COc1cc(F)ccc1-c1csc([C@](C)(O)c2ccc(F)c(F)c2)n1 ZINC000061928403 FI Annotated Anodyne COc1cc(F)ccc1-c1csc([C@@](C)(O)c2ccc(F)c(F)c2)n1 ZINC000061928405 FI Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1oc2ccccc2c1C ZINC000061928931 FI Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1oc2ccccc2c1C ZINC000061928932 FI Annotated Anodyne COCCNc1nc(NCc2ccc(C(C)C)cc2)c2sccc2n1 ZINC000061929297 FI Annotated Anodyne CN(C)c1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cc1 ZINC000061929300 FI Annotated Anodyne CN(C)c1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cc1 ZINC000061929301 FI Annotated Anodyne CN(C)c1ccc(NC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc1 ZINC000061929433 FI Annotated Anodyne CN(C)c1ccc(NC(=O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc1 ZINC000061929435 FI Annotated Anodyne C[C@]1(Oc2cccc(F)c2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061929603 FI Annotated Anodyne C[C@@]1(Oc2cccc(F)c2)CCN(Cc2ccccc2OC(F)F)C1 ZINC000061929606 FI Annotated Anodyne CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 ZINC000061929808 FI Annotated Anodyne CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 ZINC000061929810 FI Annotated Anodyne CSc1ccc(CN2C(=O)C(F)(F)Oc3c(C(C)=O)cccc32)cc1 ZINC000061929987 FI Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccccc2)O3)cc1 ZINC000061930125 FI Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccccc2)O3)cc1 ZINC000061930127 FI Annotated Anodyne CC(C)c1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000061930474 FI Annotated Anodyne CC(C)c1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000061930475 FI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 ZINC000061930909 FI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 ZINC000061930911 FI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1F ZINC000061930974 FI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1F ZINC000061930977 FI Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1CC1CCN(CCCC2CCCC2)CC1 ZINC000061936110 FI Annotated Anodyne CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CC2CCC(C)CC2)CC1 ZINC000061936135 FI Annotated Anodyne CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCCC2CCCC2)CC1 ZINC000061936139 FI Annotated Anodyne N#C[C@H]1c2ccccc2-n2nncc2CN1Cc1cc(Cl)cc(Cl)c1 ZINC000061942533 FI Annotated Mild N#C[C@@H]1c2ccccc2-n2nncc2CN1Cc1cc(Cl)cc(Cl)c1 ZINC000061942535 FI Annotated Mild CCC[C@H]1CC(=O)C=C(c2ccc(OC)cc2)ON1C(=O)OC(C)(C)C ZINC000061942684 FI Annotated Mild Cc1nn(-c2ccc(Cl)cn2)c2c1C(=O)CC(C)(C)[C@H]2Br ZINC000061942801 FI Annotated Reactive Cc1nn(-c2ccc(Cl)cn2)c2c1C(=O)CC(C)(C)[C@@H]2Br ZINC000061942802 FI Annotated Reactive O=C1C=C(c2ccc(C(=O)O)c(Cl)c2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000061948852 FI Annotated Mild CC[C@@H](CO)Oc1cc(NCc2ccccc2O)c2ncn(C(C)C)c2c1 ZINC000061948937 FI Annotated Clean CC[C@H](CO)Oc1cc(NCc2ccccc2O)c2ncn(C(C)C)c2c1 ZINC000061948939 FI Annotated Clean CC[C@@H](CO)Oc1cc(NCc2cccc(O)c2)c2ncn(C(C)C)c2c1 ZINC000061948941 FI Annotated Anodyne CC[C@H](CO)Oc1cc(NCc2cccc(O)c2)c2ncn(C(C)C)c2c1 ZINC000061948943 FI Annotated Anodyne CC[C@@H](CO)Oc1cc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2c1 ZINC000061949000 FI Annotated Anodyne CC[C@H](CO)Oc1cc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2c1 ZINC000061949001 FI Annotated Anodyne C=CC[C@H]1[C@H](C)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000061959001 FI Annotated Mild C=CC[C@@H]1[C@H](C)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000061959003 FI Annotated Mild O=C1C[C@@]2(CCCc3ccccc32)OC(=O)[C@H]1SCCc1ccccc1 ZINC000061959296 FI Annotated Anodyne COC(=O)c1c(-c2ccc(OC)cc2)sc2cc(OC)c(OC)cc12 ZINC000061969036 FI Annotated Anodyne COc1cccc2sc3cc(C#CC4(O)CCCCC4)ccc3c(=O)c12 ZINC000061969063 FI Annotated Mild COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(Cl)cc23)cc1 ZINC000617960053 FI Annotated Clean CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1cccnc1 ZINC000617960089 FI Annotated Clean O=C(COc1ccc(Cl)cc1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000617960122 FI Annotated Clean O=C(COc1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccccc12 ZINC000617960144 FI Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc(O)cc1 ZINC000617960146 FI Annotated Clean O=C(COc1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960172 FI Annotated Clean CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@H]1CCC[C@@H]1C ZINC000617964403 FI Annotated Clean CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@@H]1CCC[C@H]1C ZINC000617964404 FI Annotated Clean CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@@H]1CCC[C@@H]1C ZINC000617964405 FI Annotated Clean CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@H]1CCC[C@H]1C ZINC000617964406 FI Annotated Clean CCC/N=c1\c(NC(=O)CCc2ccccc2)c(O)oc2ccccc12 ZINC000617996274 FI Annotated Anodyne CCOC(=O)C1=C(O)/C(=C/c2cc(F)ccc2F)O/C1=N\c1ccccc1 ZINC000618001847 FI Annotated Mild CCOC(=O)C1=C(O)/C(=C\c2ccc(F)cc2)O/C1=N\c1ccccc1 ZINC000618003617 FI Annotated Mild CCOC(=O)C1=C(O)/C(=C/c2c(F)cccc2F)O/C1=N\c1ccccc1 ZINC000618004078 FI Annotated Mild COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SC)nc(O)c21 ZINC000618005052 FI Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SC)nc(O)c21 ZINC000618005054 FI Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(O)c1 ZINC000618005081 FI Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(O)c1 ZINC000618005084 FI Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccc(F)cc2)/C1=C(\O)OC1CCCCC1 ZINC000618005638 FI Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccc(F)cc2)/C1=C(\O)OC1CCCCC1 ZINC000618005641 FI Annotated Anodyne CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O ZINC000618007425 FI Annotated Anodyne CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O ZINC000618007426 FI Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2[C@H](C)c2ccccc2)[C@@H]1C ZINC000618007441 FI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2[C@H](C)c2ccccc2)CCC[C@H]1C ZINC000618007442 FI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2[C@@H](C)c2ccccc2)CCC[C@H]1C ZINC000618007443 FI Annotated Anodyne CN(C)CCSSCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000618007872 FI Annotated Reactive CC(C)c1ccc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1 ZINC000618008535 FI Annotated Clean CN1CCN(C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009762 FI Annotated Anodyne C=CCO/C(O)=C1/C(C)=NC(SC)=C(C#N)[C@@H]1c1ccccc1OC ZINC000618016398 FI Annotated Reactive C=CCO/C(O)=C1/C(C)=NC(SC)=C(C#N)[C@H]1c1ccccc1OC ZINC000618016399 FI Annotated Reactive CN(C)CCSSCCCNC(=O)c1occc1-c1ccccc1 ZINC000618017143 FI Annotated Reactive CN1C[C@H]2CCN(c3ccc(-c4ccc(Br)cc4)cc3)[C@H]2C1 ZINC000062178519 FI Annotated Anodyne COc1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000621429880 FI Annotated Anodyne COc1ccccc1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000621431063 FI Annotated Anodyne COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)co2)cc1OC ZINC000621431135 FI Annotated Anodyne COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)co2)cc1OC ZINC000621431136 FI Annotated Anodyne COc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)co2)cc1OC ZINC000621431151 FI Annotated Anodyne COc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)co2)cc1OC ZINC000621431152 FI Annotated Anodyne COc1ccc(-c2cc(C3=N[C@H](Cc4ccccc4)CO3)co2)cc1OC ZINC000621431177 FI Annotated Anodyne COc1ccc(-c2cc(NC(=O)[C@H](C)c3ccccc3)on2)cc1OC ZINC000621431178 FI Annotated Anodyne COc1ccc(-c2cc(NC(=O)[C@@H](C)c3ccccc3)on2)cc1OC ZINC000621431179 FI Annotated Anodyne Cc1nn(-c2cc(F)c(C#N)c(NCC3CC3)c2)c2c1C(=O)CC(C)(C)C2 ZINC000621431187 FI Annotated Mild CCC(=O)Nc1cccc(N=c2[nH]c(Nc3ccccc3)ncc2Cl)c1 ZINC000621431439 FI Annotated Anodyne CC1(C)OC(O)=C(/C=N/c2cccc(O)c2)c2c1ccc1ccc(=O)oc21 ZINC000621471776 FI Annotated Mild CC1=NC(=S)N[C@@H](c2cccc(Br)c2)/C1=C(/O)OC(C)C ZINC000621474199 FI Annotated Anodyne CC1=NC(=S)N[C@H](c2cccc(Br)c2)/C1=C(/O)OC(C)C ZINC000621474200 FI Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(Cl)c1Cl ZINC000621475060 FI Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(Cl)c1Cl ZINC000621475061 FI Annotated Anodyne Cc1cccc(N2CCN(Cc3sccc3-n3cccc3)CC2)c1C ZINC000621476171 FI Annotated Anodyne N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1 ZINC000063298422 FI Annotated Mild CCc1ccc2[nH]cc/c(=N\C(=O)Nc3cccc(C(F)(F)F)n3)c2c1 ZINC000063540305 FI Annotated Anodyne CCc1ccc2/c(=N/C(=O)Nc3cccc(C(F)(F)F)n3)cc[nH]c2c1 ZINC000063540310 FI Annotated Anodyne CCOc1ccccc1[C@@H]1c2c(-c3ccccc3)noc2NC(=N)[C@H]1C#N ZINC000063562323 FI Annotated Mild CO[C@@H]1CC=C2N(c3c[nH]c4ccccc34)C(=O)C[C@]2(c2ccccc2)O1 ZINC000064251700 FI Annotated Anodyne CO[C@@H]1CC=C2N(c3ccc4[nH]ccc4c3)C(=O)C[C@]2(c2ccccc2)O1 ZINC000064251827 FI Annotated Anodyne Cc1nc(-c2ccc[n+](C)c2)sc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000064261561 FI Annotated Mild CC1=NN([C@@H]2C[C@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 ZINC000064274776 FI Annotated Anodyne CC1=NN([C@@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 ZINC000064274778 FI Annotated Anodyne CC1=NN([C@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)C(=O)C1 ZINC000064274780 FI Annotated Anodyne Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1 ZINC000064353909 FI Annotated Reactive N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccccc1F ZINC000064373129 FI Annotated Reactive N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccc(F)cc1 ZINC000064373394 FI Annotated Reactive Cc1ccccc1[C@H]1C(C#N)=C(N)OC(c2c[nH]c3ccccc23)=C1C#N ZINC000064373410 FI Annotated Reactive O=C(O)c1c(O)c([C@H]2Cc3ccccc32)nc2c(C(F)(F)F)cccc12 ZINC000064373448 FI Annotated Anodyne CCc1ccc(OC(C)=O)c(Cc2cc(CCCl)ccc2OC(C)=O)c1 ZINC000064415687 FI Annotated Reactive CCc1ccc(Cc2cc(CCCl)ccc2OC(C)=O)c(OC(C)=O)c1 ZINC000064416936 FI Annotated Reactive CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](c2ccco2)c2c[nH]nc2N1 ZINC000064446624 FI Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2ccco2)c2c[nH]nc2N1 ZINC000064446626 FI Annotated Anodyne O=C(O)[C@H]1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 ZINC000064447025 FI Annotated Anodyne O=C(O)[C@H]1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 ZINC000064447026 FI Annotated Anodyne CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc(F)cc2F)S3)n1 ZINC000064447676 FI Annotated Anodyne CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccc(F)cc2F)S3)n1 ZINC000064447677 FI Annotated Anodyne Cc1cn2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc2cn1 ZINC000064447742 FI Annotated Bother CC(C)=CCn1cc(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000064454471 FI Annotated Anodyne COc1cc2c(cc1OC1CC1)C=C(/C=C/C(=O)N1CCCCC1)CC2 ZINC000064503679 FI Annotated Anodyne CCOC(=O)c1c(C)oc2nc(Nc3ccccc3)nc(NC(C)C)c12 ZINC000064512657 FI Annotated Anodyne Cc1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CC[C@H](N(C)C)C3)c2o1 ZINC000064513378 FI Annotated Mild COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1C(F)(F)F ZINC000064513778 FI Annotated Anodyne O=C(/C=C/c1cccs1)Nc1ccc(N2CCCCC2)c(C(=O)O)c1 ZINC000064521171 FI Annotated Anodyne COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1 ZINC000064526289 FI Annotated Anodyne O=C(OC(C(F)(F)F)C(F)(F)F)c1cc2c(cn1)[nH]c1ccccc12 ZINC000064526762 FI Annotated Anodyne CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3F)c2=O)c1 ZINC000064527319 FI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000064539219 FI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000064539220 FI Annotated Anodyne COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3cccc(F)c3)c12 ZINC000064539329 FI Annotated Anodyne Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 ZINC000064539922 FI Annotated Anodyne C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccn1 ZINC000064540555 FI Annotated Mild CC(=O)Nc1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2 ZINC000064548325 FI Annotated Anodyne Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)c(C)c1 ZINC000064548701 FI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(Cc1ccccc1)c1ccc(O)cc1 ZINC000064548958 FI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(Cc1ccccc1)c1ccc(O)cc1 ZINC000064548959 FI Annotated Anodyne COc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000064549115 FI Annotated Anodyne COc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000064549116 FI Annotated Anodyne Cc1ccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 ZINC000064549215 FI Annotated Anodyne Cc1ccc([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 ZINC000064549216 FI Annotated Anodyne CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 ZINC000064549318 FI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000064549478 FI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000064549479 FI Annotated Anodyne C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21 ZINC000064549648 FI Annotated Bother Cc1nccn1Cc1c(O)ccc2c1nc(CSc1ccccc1)n2C ZINC000064550014 FI Annotated Clean C/C(=N\n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(O)cc1 ZINC000064550018 FI Annotated Mild CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C(C)/C=C/c1ccccc1 ZINC000064550089 FI Annotated Reactive CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C(C)/C=C/c1ccccc1 ZINC000064550090 FI Annotated Reactive COc1c2occc2c(CNc2ccc([N+](=O)[O-])cc2)c2ccc(=O)oc12 ZINC000064559190 FI Annotated Bother Cn1c(CSc2ccc(F)cc2)nc2c(CN3CCCC3)c(O)ccc21 ZINC000064559234 FI Annotated Clean Cn1c(CSc2ccccc2)nc2c(CN3CCCC3)c(O)ccc21 ZINC000064559469 FI Annotated Clean Cc1ccc(C(/C=C/c2c[nH]c3ccccc23)=C2/C(=O)NC(=O)N=C2O)cc1 ZINC000064564552 FI Annotated Anodyne CC(C)(C)C(=O)OC[C@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 ZINC000064573140 FI Annotated Anodyne CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 ZINC000064573142 FI Annotated Anodyne CC[C@@H](C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 ZINC000064573444 FI Annotated Anodyne CC[C@H](C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 ZINC000064573446 FI Annotated Anodyne CC[C@@H]1CC[C@]2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1 ZINC000064586051 FI Annotated Mild CC[C@H]1CC[C@]2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1 ZINC000064586053 FI Annotated Mild CC[C@@H]1CC[C@@]2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1 ZINC000064586055 FI Annotated Mild CC[C@H]1CC[C@@]2(C1)N=C(Nc1nc3ccccc3o1)NC1=C2C(=O)CCC1 ZINC000064586057 FI Annotated Mild C=C(NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(O)cc1 ZINC000064693658 FI Annotated Anodyne COc1cc(-c2c3c(cc4c2[nH]c2ccccc24)COC3=O)cc(O)c1O ZINC000064750310 FI Annotated Clean Cc1c(Sc2ccccc2)n(C/C=C/C2CCCCC2)c(=O)[nH]c1=O ZINC000006520168 FI Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)NC(=S)N2 ZINC000006521039 FI Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)NC(=S)N2 ZINC000006521041 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1 ZINC000006521911 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCC2)c1 ZINC000006521912 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CCC2CC=CC2)c1 ZINC000006521917 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC[C@H]2C=CCC2)c1 ZINC000006521918 FI Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC[C@@H]2C=CCC2)c1 ZINC000006521919 FI Annotated Anodyne COc1cc2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c(Cl)[nH]c2cc1C ZINC000006522234 FI Annotated Clean COc1ccc(/N=C(/C[S@@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000006522780 FI Annotated Mild O=C1Nc2ccc(F)c(F)c2[C@](C#Cc2ccsc2)(C(F)(F)F)O1 ZINC000006525016 FI Annotated Mild O=C1Nc2ccc(F)c(F)c2[C@@](C#Cc2ccsc2)(C(F)(F)F)O1 ZINC000006525021 FI Annotated Mild O=C1O[C@@H](COC(=O)c2ccc(Cl)cc2)C=C1c1cccc(Cl)c1 ZINC000006534885 FI Annotated Anodyne O=C1O[C@H](COC(=O)c2ccc(Cl)cc2)C=C1c1cccc(Cl)c1 ZINC000006534887 FI Annotated Anodyne O=C(C1=NS(=O)(=O)c2ccc(Cl)cc2S1)c1ccc(Cl)cc1 ZINC000006535323 FI Annotated Anodyne Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)cc1C ZINC000006566259 FI Annotated Clean O=C1Nc2ccc(F)c(F)c2[C@](C#Cc2cccs2)(C(F)(F)F)O1 ZINC000006567156 FI Annotated Mild O=C1Nc2ccc(F)c(F)c2[C@@](C#Cc2cccs2)(C(F)(F)F)O1 ZINC000006567158 FI Annotated Mild N=C(N)c1ccc2oc(/C=C/c3cc4cc(C(=N)N)ccc4s3)cc2c1 ZINC000006567350 FI Annotated Anodyne N#C[C@H](c1cc(Cl)ncn1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000006567366 FI Annotated Mild O=C1Nc2ccc(OC(F)(F)F)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006567528 FI Annotated Mild O=C1Nc2ccc(OC(F)(F)F)cc2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006567530 FI Annotated Mild O=C1Nc2ccc(Cl)cc2[C@](C#Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 ZINC000006567772 FI Annotated Mild O=C1Nc2ccc(Cl)cc2[C@@](C#Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 ZINC000006567775 FI Annotated Mild Oc1c2c(nn1-c1ccc(F)cc1)c1ccccc1c[n+]2Cc1ccccc1 ZINC000006575274 FI Annotated Anodyne Oc1c2c(nn1-c1ccccc1)c1ccccc1c[n+]2Cc1ccccc1 ZINC000006575275 FI Annotated Anodyne O=C1[C@H]2[C@@H]3S[C@@H](c4c3ccc3ccccc43)[C@@H]2C(=O)N1c1ccccc1 ZINC000006575390 FI Annotated Anodyne CN(C)/C=N/c1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000006665192 FI Annotated Mild CCCCN(CC)CCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000006730565 FI Annotated Anodyne Cc1ccc2cc3cc(C(=O)NCCN(C)Cc4ccccc4)oc3nc2c1 ZINC000006730585 FI Annotated Anodyne CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCCCc1ccccc1 ZINC000006733277 FI Annotated Mild COc1ccc(C2=Nc3cc(OC)ccc3NC(c3ccncc3)=N2)cc1 ZINC000006743704 FI Annotated Anodyne CCOc1ccc2c(c1)N=C(c1ccc(OC)cc1)N=C(c1ccncc1)N2 ZINC000006743737 FI Annotated Anodyne CCN(CC)c1ccc(NC(=O)C2=C(C)C(=O)OC23CCCCC3)c(C)c1 ZINC000006746395 FI Annotated Anodyne O=C(Nc1nnc(N2CCCCCC2)s1)c1csc2c1CCCC2 ZINC000006750040 FI Annotated Anodyne COC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1Cc1cccc(C)c1 ZINC000006750529 FI Annotated Anodyne COC(=O)c1cc2sccc2n1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000006750701 FI Annotated Anodyne COC(=O)c1cc2sccc2n1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000006750702 FI Annotated Anodyne Cc1ccc([S@@](=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1 ZINC000006772099 FI Annotated Anodyne Cc1ccc([S@](=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1 ZINC000006772100 FI Annotated Anodyne O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000006772612 FI Annotated Anodyne O=c1c2ccccc2n2c(-c3ccsc3)nnc2n1CCc1ccccc1 ZINC000006781259 FI Annotated Anodyne Brc1cccc(-c2nnc(CN3CCc4ccccc43)o2)c1 ZINC000006791482 FI Annotated Anodyne CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1NCc1cccs1 ZINC000006797402 FI Annotated Anodyne CCc1ccccc1NC(=O)CCC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000006797918 FI Annotated Anodyne CCc1ccccc1NC(=O)CCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000006797919 FI Annotated Anodyne CN(C)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000006798789 FI Annotated Anodyne CCc1nn(Cc2ccc(Cl)cc2)c(=O)c2cc3cc(C)ccc3n12 ZINC000006803427 FI Annotated Anodyne Cn1nc(C(=O)NCCC2=CCCCC2)c2c1-c1ccccc1SC2 ZINC000006817555 FI Annotated Anodyne CC[C@@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21 ZINC000006820496 FI Annotated Anodyne CC[C@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sccc21 ZINC000006820498 FI Annotated Anodyne COC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1cccc(SC)c1 ZINC000006820588 FI Annotated Anodyne CCOc1ccccc1NC(=O)[C@H](CC)n1c(C(=O)OC)cc2occc21 ZINC000006820693 FI Annotated Anodyne CCOc1ccccc1NC(=O)[C@@H](CC)n1c(C(=O)OC)cc2occc21 ZINC000006820697 FI Annotated Anodyne COC(=O)c1cc2oc(C)cc2n1Cc1ccc(Br)cc1F ZINC000006820777 FI Annotated Anodyne Cc1ccc(N2C[C@H](c3nnc(Cc4ccccc4Cl)o3)CC2=O)cc1 ZINC000006823031 FI Annotated Anodyne Cc1ccc(N2C[C@@H](c3nnc(Cc4ccccc4Cl)o3)CC2=O)cc1 ZINC000006823032 FI Annotated Anodyne Cc1ccc(N2C[C@H](c3nnc(Cc4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000006823037 FI Annotated Anodyne Cc1ccc(N2C[C@@H](c3nnc(Cc4ccc(Cl)cc4)o3)CC2=O)cc1 ZINC000006823038 FI Annotated Anodyne COC(=O)c1cc(/N=N\c2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 ZINC000006825062 FI Annotated Clean Cc1ccccc1NC(=O)CCC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000006857635 FI Annotated Anodyne Cc1ccccc1NC(=O)CCC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000006857637 FI Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CSc1nnc(C)n2c1cc1sccc12 ZINC000006893815 FI Annotated Anodyne CC[C@H]1CCCCN1C(=O)CSc1nnc(C)n2c1cc1sccc12 ZINC000006893816 FI Annotated Anodyne Cc1cc(=O)n(Cc2cccc(F)c2)c2c1c(C)nn2-c1cccc(F)c1 ZINC000006917772 FI Annotated Anodyne Cc1cc(=O)n(Cc2ccccc2F)c2c1c(C)nn2-c1cccc(F)c1 ZINC000006917774 FI Annotated Anodyne Cc1ccc(C)c(Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c1 ZINC000006917793 FI Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccccc1Cl ZINC000006917812 FI Annotated Anodyne O=S(=O)(Nc1cc(F)ccc1F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006929276 FI Annotated Anodyne O=C(NCCc1ccccc1)c1cccnc1SCc1cccc(F)c1 ZINC000006947857 FI Annotated Anodyne O=c1cc(-c2ccc(Cl)cc2Cl)[nH]c2c(-c3ccccn3)cnn12 ZINC000653633714 FI Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653634442 FI Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653634443 FI Annotated Anodyne CCCC/C=C/c1cn2c(NC(=O)Cc3cccc(OC)c3)cnc2cn1 ZINC000653665399 FI Annotated Anodyne COc1ccc(-c2nn3c(=O)cc(C(C)C)[nH]c3c2-c2ccccc2)cc1 ZINC000653667441 FI Annotated Anodyne COc1cc(OC(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667578 FI Annotated Anodyne O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c2c(-c3ccccn3)cnn12 ZINC000653668347 FI Annotated Anodyne CSc1nn2cc(-c3nc4c(OCC5CC5)cccc4o3)nc2s1 ZINC000653670141 FI Annotated Anodyne COc1nn2cc(-c3cc4cc(OC(F)(F)F)ccc4o3)nc2s1 ZINC000653671303 FI Annotated Anodyne COc1cccc(-c2cc(N[C@H](C)c3cccc(O)c3)nc(C)n2)c1F ZINC000653672853 FI Annotated Anodyne COc1cccc(-c2cc(N[C@@H](C)c3cccc(O)c3)nc(C)n2)c1F ZINC000653672854 FI Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4ncccc4c3)[nH]c2c1-c1ccc(F)cc1 ZINC000653675511 FI Annotated Anodyne C[C@@H]1CCc2cc(-c3occc3C#N)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653677636 FI Annotated Mild C[C@H]1CCc2cc(-c3occc3C#N)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653677637 FI Annotated Mild O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1cccs1 ZINC000653681815 FI Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1cccs1 ZINC000653681816 FI Annotated Anodyne CN(C)c1ccc(-c2cnc3cnc(-c4ccccc4N(C)C)cn23)cc1 ZINC000653686443 FI Annotated Anodyne CCCCCCn1c(C)nc2c(oc3nc(C(F)(F)F)ccc32)c1=O ZINC000653686894 FI Annotated Anodyne O=C1C=C2C=C(c3ccc(Cl)c(Cl)c3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000653687113 FI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1C(=O)CC2 ZINC000653687679 FI Annotated Anodyne O=C(N=c1cc[nH]cc1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F ZINC000653688013 FI Annotated Anodyne O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccccc1F ZINC000653688504 FI Annotated Bother CC(C)Cn1ccnc1/C=C/C=C/C(=O)/C=C/c1nccn1CC(C)C ZINC000653691201 FI Annotated Mild Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1C(=O)c1ccccc1 ZINC000653692058 FI Annotated Bother COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)cc1F ZINC000653694189 FI Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3cccc(OC)c3O)C2=O)ccc1O ZINC000653694232 FI Annotated Mild COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(F)ccc1F ZINC000653697638 FI Annotated Anodyne COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1c(F)cccc1F ZINC000653697698 FI Annotated Anodyne CC(C)n1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1 ZINC000653698597 FI Annotated Mild C[C@@H](N=c1nc[nH]c2sc(-c3ccc(C(N)=O)cc3)cc12)c1ccccc1 ZINC000653698608 FI Annotated Anodyne CCCn1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1 ZINC000653698610 FI Annotated Mild Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C#N)cc1 ZINC000653699470 FI Annotated Mild O=C(c1cccs1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O ZINC000653700241 FI Annotated Clean Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(O)cc1 ZINC000653700463 FI Annotated Bother Cc1nc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cs1 ZINC000653700470 FI Annotated Bother Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C=O)cc1 ZINC000653700507 FI Annotated Bother Cc1n[nH]c(C)c1CCn1c(C)nc2c([N+](=O)[O-])c(Cl)c(Cl)cc21 ZINC000653700545 FI Annotated Bother O=C(Nc1cc(-c2cncnc2)cc(C(F)(F)F)c1)Nc1nccs1 ZINC000653702460 FI Annotated Anodyne O=C(NCCCCCCS)c1cc(-c2cccc3ccccc23)[nH]n1 ZINC000653707397 FI Annotated Mild O=C(NCCCCCCS)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000653707405 FI Annotated Mild Cc1ncn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)n1 ZINC000653708721 FI Annotated Anodyne CC(=O)N1N=C(c2ccc(C#N)cc2)O[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000653716279 FI Annotated Mild CC(=O)N1N=C(c2ccc(C#N)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000653716280 FI Annotated Mild Cc1ccc2[nH]cc(CNCc3cc(-c4ccc([N+](=O)[O-])cc4)no3)c2c1 ZINC000653716335 FI Annotated Bother C[C@@H](NC(=O)OCC(F)(F)C(F)F)c1nc2ccc(F)cc2s1 ZINC000653716365 FI Annotated Anodyne CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 ZINC000653717491 FI Annotated Clean CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 ZINC000653717492 FI Annotated Clean CC1=C(C(=O)OC(C)C)[C@H](c2ccsc2)N2C(=N1)Nc1ccccc12 ZINC000653720240 FI Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2ccsc2)N2C(=N1)Nc1ccccc12 ZINC000653720241 FI Annotated Anodyne CC1=NN(c2ccc(C)cc2)C(=O)[C@]12C(=O)C=CC[C@@H]2c1ccc(C)cc1 ZINC000653721527 FI Annotated Mild Cc1nnc2ccc3c(cc(-c4cnc[nH]4)n3Cc3cccc(Cl)c3)n12 ZINC000653721720 FI Annotated Anodyne O=C(O)c1ccnc2cc(OCc3ccc(Cl)c(OCC4CC4)c3)[nH]c12 ZINC000653722480 FI Annotated Anodyne COc1cc(C[C@@H](O)c2ccc(-c3ccoc3)cc2)c([N+](=O)[O-])cc1OC ZINC000653725340 FI Annotated Bother COc1cc(C[C@H](O)c2ccc(-c3ccoc3)cc2)c([N+](=O)[O-])cc1OC ZINC000653725341 FI Annotated Bother NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl ZINC000653725363 FI Annotated Anodyne NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl ZINC000653725364 FI Annotated Anodyne COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccncc2)cc1 ZINC000653731194 FI Annotated Anodyne O=C(O)[C@H]1CNCC[C@H]1CCCC#Cc1ccccc1Cc1ccccc1 ZINC000653735541 FI Annotated Mild CCCCc1ccc(-n2cc(COC(=O)c3cc4ccccc4[nH]3)nn2)cc1 ZINC000653738886 FI Annotated Anodyne Cc1ccc(-c2cnc(NC[C@H]3CCNC3)nc2-c2ccc(C#N)cc2)cc1 ZINC000653739198 FI Annotated Mild CCNC(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1 ZINC000653740449 FI Annotated Anodyne C=C(C)Cn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O ZINC000653740638 FI Annotated Mild C=C(C)Cn1c(SCC(=O)c2cccs2)nc2sccc2c1=O ZINC000653740747 FI Annotated Mild CC1=NN(c2ccc(C)cc2)C(=O)[C@]12C(=O)C=CC[C@H]2c1ccc(C)cc1 ZINC000653747453 FI Annotated Mild CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12C(=O)C=CC[C@@H]2c1ccc(C)cc1 ZINC000653747454 FI Annotated Mild CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12C(=O)C=CC[C@H]2c1ccc(C)cc1 ZINC000653747455 FI Annotated Mild CSc1nn2cc(-c3nc4cc(OC(F)(F)F)ccc4o3)nc2s1 ZINC000653756226 FI Annotated Anodyne COc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653757090 FI Annotated Anodyne COc1cc(OC)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 ZINC000653758326 FI Annotated Anodyne COc1cc(OC)cc(-c2cnc3cnc(-c4ccccc4N(C)C)cn23)c1 ZINC000653758367 FI Annotated Anodyne CSc1nn2cc(-c3nc4ccc(OCC5CC5)cc4o3)nc2s1 ZINC000653760634 FI Annotated Anodyne Cc1nc(-c2cc3cc(N4CCCCC4)cc(C#N)c3[nH]2)sc1C(=O)O ZINC000653764473 FI Annotated Mild Cc1ccc2nc(Nc3ncnc4c3cnn4-c3ccccc3)sc2c1 ZINC000653765547 FI Annotated Anodyne COc1cc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)ccc1O ZINC000653765555 FI Annotated Anodyne Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000653766303 FI Annotated Anodyne Cc1cc(S(=O)(=O)N2CC[C@@H](F)[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000653766397 FI Annotated Anodyne CCc1nn2cc(-c3cc4cccc(OCCCC#N)c4o3)nc2s1 ZINC000653767514 FI Annotated Mild Cc1nc(-c2cc3cc(OC4CCCC4)cc(C#N)c3[nH]2)sc1C(=O)O ZINC000653768341 FI Annotated Mild O=C(N=c1cc[nH]cc1)Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1 ZINC000653768383 FI Annotated Anodyne CCNC(=O)Nc1cn(Cc2ccccc2)c2cc(-c3cccnc3)cnc12 ZINC000653768400 FI Annotated Clean COc1cc(-c2nn[nH]c2-c2cc3ccccc3s2)cc(OC)c1OC ZINC000653771309 FI Annotated Anodyne COc1cc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)ccc1O ZINC000653773165 FI Annotated Anodyne C[S@@](=O)c1ccc([C@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl ZINC000653780333 FI Annotated Anodyne C[S@](=O)c1ccc([C@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl ZINC000653780334 FI Annotated Anodyne C[S@](=O)c1ccc([C@@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl ZINC000653780335 FI Annotated Anodyne C[S@@](=O)c1ccc([C@@H](NC2CCC2)c2cc3cccnc3[nH]2)cc1Cl ZINC000653780336 FI Annotated Anodyne C[C@@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2cccc3ccccc23)C1 ZINC000653780347 FI Annotated Mild C[C@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2cccc3ccccc23)C1 ZINC000653780348 FI Annotated Mild C/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccccn1 ZINC000653782573 FI Annotated Mild CCCc1cccc2c(-c3cnc(-c4ccnc(C(=O)O)c4)s3)n[nH]c12 ZINC000653782616 FI Annotated Anodyne O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2ccc(F)cc2)CC1 ZINC000653782728 FI Annotated Anodyne CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)n[nH]c12 ZINC000653784948 FI Annotated Anodyne COc1cc2c(cc1C(C)=O)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000653785020 FI Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccc(Cl)cc23)cn1 ZINC000653786508 FI Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cc(Cl)ccc23)cn1 ZINC000653786553 FI Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3c(Cl)cccc23)cn1 ZINC000653786562 FI Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cccc(Cl)c23)cn1 ZINC000653786564 FI Annotated Anodyne C#CCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 ZINC000653786670 FI Annotated Mild C=CCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)n[nH]c12 ZINC000653787326 FI Annotated Mild CC(C)c1nc(-c2nnc(C3CCN(C4CCC4)CC3)o2)c2ccccn12 ZINC000653788064 FI Annotated Anodyne NCCCCCCc1ccnc(SCc2nc3ccccc3s2)n1 ZINC000653788973 FI Annotated Anodyne O=C(NCCCCc1ccc2ccccc2c1)n1c(=O)oc2ccccc21 ZINC000653790230 FI Annotated Anodyne CC(C)c1nc(-c2nnc(C3CCN(CC4CC4)CC3)o2)c2ccccn12 ZINC000653790946 FI Annotated Anodyne CC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12 ZINC000653790962 FI Annotated Anodyne O=C(c1ccccc1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O ZINC000653792856 FI Annotated Clean C[C@@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12 ZINC000653793206 FI Annotated Mild C[C@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12 ZINC000653793209 FI Annotated Mild O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@H]2CCCC[C@H]21 ZINC000653794437 FI Annotated Anodyne O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@H]2CCCC[C@@H]21 ZINC000653794438 FI Annotated Anodyne O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@@H]2CCCC[C@H]12 ZINC000653794439 FI Annotated Anodyne O=C(NC(=O)c1ccccc1F)N[C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]12 ZINC000653794440 FI Annotated Anodyne COc1nc2ccccc2cc1/C=C/c1noc(COc2ccccc2)n1 ZINC000653794495 FI Annotated Anodyne C/C(=N\N=C1/SCC(=O)N1Cc1cccc2ccccc12)c1ccco1 ZINC000653795241 FI Annotated Mild C=C1CC[C@@H]2[C@]3(C)CO[C@@H](C)O[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000653795370 FI Annotated Mild O=C(O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000653795613 FI Annotated Clean O=C(O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000653795614 FI Annotated Clean CCCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000653795637 FI Annotated Anodyne CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)cn4)s3)n[nH]c12 ZINC000653795638 FI Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCCCC3)cc3sccc32)cc1 ZINC000653795671 FI Annotated Anodyne CC(C)C1=CC[C@H](C(=O)NCc2cc(F)cc(F)c2)[C@@]12C=CC(=O)CC2 ZINC000653797720 FI Annotated Mild O=C1CS/C(=N\N=C2CCCCCCC2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653798089 FI Annotated Mild COc1ccc(Cc2nc(/C=C/c3cc4ccccc4nc3OC)no2)cc1 ZINC000653798264 FI Annotated Anodyne CCN1CCC[C@@H]1C(=O)NC12C[C@@H]3CC(C)(C[C@H](C1)c1ccccc13)C2 ZINC000653798380 FI Annotated Anodyne COC12C[C@@H]3CC(NC(=O)N4CCCCC4)(C[C@H](C1)c1ccccc13)C2 ZINC000653798400 FI Annotated Anodyne N=C(N)Nc1ccc(CNc2c(-c3ccc(F)cc3)nc3ccccn23)cc1 ZINC000653799423 FI Annotated Anodyne N=C(N)Nc1ccc(CNc2c(-c3cccc(F)c3)nc3ccccn23)cc1 ZINC000653799455 FI Annotated Anodyne COc1cccc(-c2nc(/C=C/c3cc4ccccc4nc3OC)no2)c1 ZINC000653799561 FI Annotated Anodyne CCCc1cccc2c(-c3cnc(-c4ccc(CO)nc4)s3)n[nH]c12 ZINC000653799992 FI Annotated Anodyne CC(C)Oc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1 ZINC000653801626 FI Annotated Anodyne O=C(O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000653804901 FI Annotated Clean O=C(O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000653804902 FI Annotated Clean O=C1CS[C@H](c2ccccc2Br)c2cc(Cl)cnc2N1 ZINC000653810021 FI Annotated Anodyne O=C1CS[C@@H](c2ccccc2Br)c2cc(Cl)cnc2N1 ZINC000653810026 FI Annotated Anodyne COc1cc2c(c3oc(=O)c4c5ccc(O)cc5oc4c13)C(C)(C)[C@@H](C)O2 ZINC000653812742 FI Annotated Bother COc1cc2c(c3oc(=O)c4c5ccc(O)cc5oc4c13)C(C)(C)[C@H](C)O2 ZINC000653812749 FI Annotated Bother CCCOc1ccc2c(c1)c(-c1ccccc1S(C)(=O)=O)cn2C(C)=O ZINC000653813279 FI Annotated Anodyne c1ccc(-c2cc(-c3nnc4n3N=C(C3CCCCC3)CS4)n[nH]2)cc1 ZINC000653822634 FI Annotated Anodyne COc1cc([C@@H]2O[C@@H](C)Cn3c2c(C)c2ccccc23)cc(OC)c1OC ZINC000653822813 FI Annotated Anodyne Cn1cc(-c2ccc(-c3cncc4ccc(-c5ccnn5C)nc34)cc2)cn1 ZINC000653825372 FI Annotated Anodyne OCC[C@@H]1Cc2ccccc2[C@H](CCN2CCC(c3ccccc3)CC2)O1 ZINC000653827696 FI Annotated Anodyne Cn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)nc34)cc2)cn1 ZINC000653829408 FI Annotated Anodyne Cn1cc(-c2ccc(-c3cncc4ccc(-c5ccn(C)n5)nc34)cc2)cn1 ZINC000653829430 FI Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CC2CN(C(C)=O)C2)cc1O ZINC000653831347 FI Annotated Mild C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(O)cc1CC1CN(C(C)=O)C1 ZINC000653831375 FI Annotated Mild C[C@@]12CCCC[C@H]1CC[C@@H]1OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C12 ZINC000653833210 FI Annotated Anodyne C[C@H]1Sc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N=C1c1ccccc1 ZINC000653834549 FI Annotated Anodyne C[C@@H]1Sc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N=C1c1ccccc1 ZINC000653834550 FI Annotated Anodyne COc1cc([C@H]2O[C@@H](C)Cn3c2c(C)c2ccccc23)cc(OC)c1OC ZINC000653835443 FI Annotated Anodyne Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000653837761 FI Annotated Anodyne Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1CCc2ccccc2O1 ZINC000653837763 FI Annotated Anodyne CN1C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000653840587 FI Annotated Clean C=C(C)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12 ZINC000653845451 FI Annotated Mild CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccc(F)cc1 ZINC000653845482 FI Annotated Anodyne O=[N+]([O-])c1cc(CSc2nnc(C3CCCCC3)o2)cc([N+](=O)[O-])c1 ZINC000653846489 FI Annotated Bother COn1c(-c2ccc(C)cc2)c(Br)c2cc(C#N)c(C#N)cc21 ZINC000653848321 FI Annotated Mild CCN(Cc1cc(=O)n2c(C3CCC3)c(C)sc2n1)c1ccc(F)cc1 ZINC000653848340 FI Annotated Anodyne CC(C)(C)OC(=O)NCCOc1cccc2c1cnn2-c1ccccc1F ZINC000653848611 FI Annotated Anodyne CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000653849013 FI Annotated Anodyne CO[C@@]1(C(C)C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000653851642 FI Annotated Anodyne CCN(Cc1cc(=O)n2c(C(C)C)c(C)sc2n1)c1ccc(F)cc1 ZINC000653856880 FI Annotated Anodyne C/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1cccs1 ZINC000653857481 FI Annotated Mild CCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(C)ccc1O ZINC000653857500 FI Annotated Mild CCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(C)ccc1O ZINC000653857501 FI Annotated Mild Oc1ccc(-c2[nH]nc(NCc3ccncc3)c2-c2ccc(O)cc2)cc1 ZINC000653859635 FI Annotated Anodyne O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(F)cc2)N1c1ccccc1 ZINC000653866611 FI Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(F)cc2)N1c1ccccc1 ZINC000653866612 FI Annotated Mild C/C(=N\N=C1/SCC(=O)N1Cc1ccccc1Cl)c1cccs1 ZINC000653867771 FI Annotated Mild CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1cccc(O)c1 ZINC000653869280 FI Annotated Anodyne CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1cccc(O)c1 ZINC000653869281 FI Annotated Anodyne CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1cccc(O)c1 ZINC000653869282 FI Annotated Anodyne CON1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1cccc(O)c1 ZINC000653869283 FI Annotated Anodyne O=C1C(O)=C([C@@H](Nc2ccccc2)c2ccccn2)C(=O)c2ccccc21 ZINC000653873021 FI Annotated Mild O=C1C(O)=C([C@H](Nc2ccccc2)c2ccccn2)C(=O)c2ccccc21 ZINC000653873022 FI Annotated Mild Cn1cc(-c2ccc3c(c2)-c2[nH]c4cc(-c5cn[nH]c5)ccc4c2C3=O)cn1 ZINC000653873562 FI Annotated Anodyne O[C@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1Cc1cccs1 ZINC000653873809 FI Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1Cc1cccs1 ZINC000653873810 FI Annotated Mild Cn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 ZINC000653875544 FI Annotated Anodyne O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000653876607 FI Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000653876609 FI Annotated Mild Cc1c([C@@](O)(c2cscn2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653876693 FI Annotated Mild Cc1c([C@](O)(c2cscn2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653876697 FI Annotated Mild O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12 ZINC000653882400 FI Annotated Anodyne COc1ccccc1-c1nnc(-c2sc(-c3cccnc3)nc2C)o1 ZINC000653883001 FI Annotated Anodyne Cc1c([C@@](O)(c2nccs2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653885946 FI Annotated Mild Cc1c([C@](O)(c2nccs2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653885947 FI Annotated Mild CC1=CS[C@@](OCC2CCCCC2)(c2ccccc2)c2noc(=O)n21 ZINC000653886885 FI Annotated Anodyne CC1=CS[C@](OCC2CCCCC2)(c2ccccc2)c2noc(=O)n21 ZINC000653886886 FI Annotated Anodyne Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000653887014 FI Annotated Bother Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000653887037 FI Annotated Bother O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12 ZINC000653887865 FI Annotated Anodyne O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12 ZINC000653887866 FI Annotated Anodyne O[C@@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1cccc2ccccc12 ZINC000653887867 FI Annotated Anodyne O=C1c2cc(-c3cn[nH]c3)ccc2-c2[nH]c3cc(-c4cn[nH]c4)ccc3c21 ZINC000653893421 FI Annotated Anodyne CCCCCCCCC[C@@H](O)[C@H](CO)n1cc(CCCCCC)nn1 ZINC000653894830 FI Annotated Mild O=c1/c(=C/c2cccc(Cc3ccccc3)c2)sc2nc3ccccc3n12 ZINC000653899211 FI Annotated Anodyne CC(=O)Oc1cccc2cc(-c3cc(Br)cs3)c(=O)oc12 ZINC000653899226 FI Annotated Anodyne Cc1ccc(N[C@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccccn2)cc1 ZINC000653901704 FI Annotated Mild Cc1ccc(N[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccccn2)cc1 ZINC000653901705 FI Annotated Mild C/C(=N\N=C1/SCC(=O)N1Cc1cccc(Cl)c1)c1cccs1 ZINC000653912884 FI Annotated Mild COC[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@]23C)[C@@H]1C ZINC000653914334 FI Annotated Anodyne CCOC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O ZINC000653918461 FI Annotated Clean Clc1ccccc1-c1nnc2cncc(OCCc3ccccc3)n12 ZINC000653919132 FI Annotated Anodyne Clc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1 ZINC000653919138 FI Annotated Anodyne CC(C)(C)CCNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 ZINC000066058768 FI Annotated Anodyne CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21 ZINC000066065899 FI Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCCC[C@@H]1n1ccnc1 ZINC000066073845 FI Annotated Bother O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1COCc1ccccc1 ZINC000066074366 FI Annotated Anodyne Cc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N ZINC000066076808 FI Annotated Mild CC(C)c1cccnc1CN(CCCCN)[C@@H]1CCCc2cccnc21 ZINC000066077025 FI Annotated Anodyne CC(C)c1cccnc1CN(CCCCN)[C@H]1CCCc2cccnc21 ZINC000066077027 FI Annotated Anodyne C=C1CCC[C@@]23OC4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C(OC)=CC4=O ZINC000066077315 FI Annotated Mild CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000066077448 FI Annotated Anodyne Cc1cc(OCCc2nc[nH]c2C)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066077602 FI Annotated Anodyne Cc1cc(C)cc(NC(=O)c2cccnc2SCc2cc[n+](C)cc2)c1 ZINC000066077662 FI Annotated Anodyne NNC(=O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1 ZINC000066078552 FI Annotated Reactive C=C(CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)[C@@H](O)Cc1c(O)cc(C)cc1O ZINC000066079938 FI Annotated Mild C=C(CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)[C@H](O)Cc1c(O)cc(C)cc1O ZINC000066079941 FI Annotated Mild CCCOCCCNC(=S)Nc1cc(OCC)c(Cl)cc1OCC ZINC000066080001 FI Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCCCCCc1c[nH]c(N)n1 ZINC000066097788 FI Annotated Anodyne O=c1c2ccccc2c(Nc2n[nH]c3ccccc23)nn1-c1ccccc1 ZINC000066099902 FI Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1 ZINC000066101225 FI Annotated Bother CCCSCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066101386 FI Annotated Anodyne Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)C5CCOCC5)cc34)[nH]c2c1 ZINC000066102282 FI Annotated Anodyne NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066103200 FI Annotated Anodyne c1cc(Nc2ccc(NC3=NCCS3)cc2)ccc1NC1=NCCS1 ZINC000066104031 FI Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 ZINC000066111619 FI Annotated Anodyne Fc1ccc([C@H]2CCNC/C2=N/OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000066111924 FI Annotated Mild Fc1ccc([C@@H]2CCNC/C2=N/OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000066111925 FI Annotated Mild Fc1ccc([C@H]2CCNC/C2=N\OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000066111926 FI Annotated Mild Fc1ccc([C@@H]2CCNC/C2=N\OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000066111927 FI Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@H]1O ZINC000066112128 FI Annotated Mild CCCOC(=O)CCn1ccc2c3[nH]c(-c4ccccc4)cc(=O)c3ccc21 ZINC000066112221 FI Annotated Anodyne C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1N ZINC000066112536 FI Annotated Mild C[C@H]1Oc2ccccc2/C(=N/OCc2ccc(Cl)cc2)[C@H]1n1ccnc1 ZINC000066112709 FI Annotated Mild C[C@@H]1Oc2ccccc2/C(=N/OCc2ccc(Cl)cc2)[C@H]1n1ccnc1 ZINC000066112710 FI Annotated Mild C[C@H]1Oc2ccccc2/C(=N/OCc2ccc(Cl)cc2)[C@@H]1n1ccnc1 ZINC000066112711 FI Annotated Mild C[C@@H]1Oc2ccccc2/C(=N/OCc2ccc(Cl)cc2)[C@@H]1n1ccnc1 ZINC000066112712 FI Annotated Mild COc1cc(OC)cc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)c1 ZINC000066112989 FI Annotated Anodyne Fc1ccc(CO/N=C2/CNCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000066113977 FI Annotated Mild Fc1ccc(CO/N=C2/CNCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000066113979 FI Annotated Mild Fc1ccc(CO/N=C2\CNCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000066114001 FI Annotated Mild Fc1ccc(CO/N=C2\CNCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000066114003 FI Annotated Mild FC(F)(F)COc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 ZINC000066114440 FI Annotated Anodyne CC(C)=CCOc1ccc(/C=C/C(=O)NNc2nncc3ccccc23)cc1 ZINC000066122769 FI Annotated Reactive C[C@@H]1O[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@H]1O ZINC000066123006 FI Annotated Mild C[C@@H]1O[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1N ZINC000066123244 FI Annotated Mild CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)C1CCCCC1)CC2 ZINC000066123286 FI Annotated Anodyne COc1ccc(OC)c(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000066124488 FI Annotated Anodyne COc1ccc2c(c1)[C@@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccc(F)cc1 ZINC000066136325 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccc(F)cc1 ZINC000066136326 FI Annotated Anodyne COc1ccc2c(c1)[C@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccc(F)cc1 ZINC000066136327 FI Annotated Anodyne COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@H]([C@H](O)CN=[N+]=[N-])OC2 ZINC000066136556 FI Annotated Clean Cc1ccc(-c2nnc(NC(=O)C(C)(C)Oc3ccccc3)o2)cc1C ZINC000066139335 FI Annotated Anodyne CCCCCCCCN1N=N[C@H]2[C@H]1[C@@H]1C[C@H]2N(C(=O)OC(C)(C)C)O1 ZINC000066139471 FI Annotated Mild O=C(/N=c1\[nH]c2ccccc2n1Cc1ccccc1Cl)c1ccco1 ZINC000066139718 FI Annotated Anodyne C=CCN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066147721 FI Annotated Mild C=CCN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000066147723 FI Annotated Anodyne CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(CO)cc3)c2=O)cc1 ZINC000066156703 FI Annotated Anodyne c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1 ZINC000066157246 FI Annotated Anodyne Cc1c(/C=C/c2cc3cc(C(=N)N)ccc3o2)oc2cc(C(=N)N)ccc12 ZINC000066157456 FI Annotated Anodyne C[C@H]1Oc2cc(Cl)ccc2/C(=N/OCc2ccccc2)[C@H]1n1ccnc1 ZINC000066157583 FI Annotated Mild C[C@H]1Oc2cc(Cl)ccc2/C(=N/OCc2ccccc2)[C@@H]1n1ccnc1 ZINC000066157586 FI Annotated Mild C[C@@H]1Oc2cc(Cl)ccc2/C(=N/OCc2ccccc2)[C@@H]1n1ccnc1 ZINC000066157587 FI Annotated Mild COc1ccc(CCN[C@H](C)COc2c(C)ccc(C)c2C)cc1OC ZINC000066165941 FI Annotated Anodyne COc1ccc(CCN[C@@H](C)COc2c(C)ccc(C)c2C)cc1OC ZINC000066165943 FI Annotated Anodyne CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21 ZINC000066166841 FI Annotated Mild Cc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1 ZINC000066166847 FI Annotated Mild Cc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)cc1 ZINC000066166848 FI Annotated Mild COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000066166950 FI Annotated Anodyne C=CCN1C(=O)[C@]2(CC(C)=C[C@H](COc3ccccc3)O2)c2ccccc21 ZINC000066166971 FI Annotated Mild C=CCN1C(=O)[C@]2(CC(C)=C[C@@H](COc3ccccc3)O2)c2ccccc21 ZINC000066166972 FI Annotated Mild C=CCN1C(=O)[C@@]2(CC(C)=C[C@H](COc3ccccc3)O2)c2ccccc21 ZINC000066166973 FI Annotated Mild CCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1 ZINC000066167360 FI Annotated Anodyne OCc1c(CO)c(-c2ccc(Cl)c(Cl)c2)n2c1Cc1ccccc1C2 ZINC000066251129 FI Annotated Anodyne NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000066251361 FI Annotated Anodyne CCCCNC(=O)/C=C/c1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 ZINC000066251374 FI Annotated Anodyne OCc1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)c1ccc(Cl)cc1 ZINC000066252038 FI Annotated Anodyne OCc1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)c1ccc(Cl)cc1 ZINC000066252039 FI Annotated Anodyne COC(=O)c1sc2cc(-c3ccc(C(F)(F)F)cc3)cnc2c1N ZINC000066259316 FI Annotated Anodyne CCN(CC)c1ccc(/C=C2\Oc3ccc(OC(C)=O)cc3C2=O)cc1 ZINC000066260057 FI Annotated Mild Cc1cc2c3ccccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1 ZINC000066260079 FI Annotated Anodyne CCCCN/C=C1\C(=O)Nc2ccc(Cl)cc2N(c2ccccc2)C1=O ZINC000066262759 FI Annotated Anodyne C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)[nH]c3ccccc23)CC[C@@H]1N ZINC000066263042 FI Annotated Mild C[C@@H]1CN(Cc2cccn2-c2cccnc2)Cc2cc(Cl)ccc2O1 ZINC000067820168 FI Annotated Anodyne C[C@H]1CN(Cc2cccn2-c2cccnc2)Cc2cc(Cl)ccc2O1 ZINC000067820170 FI Annotated Anodyne OCc1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12 ZINC000068152327 FI Annotated Anodyne CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)C12CCC(O)(CC1)CC2 ZINC000068152683 FI Annotated Anodyne Cc1noc(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000068204806 FI Annotated Anodyne CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1 ZINC000068206945 FI Annotated Anodyne N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1Cc1ccccc1 ZINC000069061590 FI Annotated Anodyne CC(=O)OC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)O[C@H]1O ZINC000069482501 FI Annotated Anodyne in-vitro biogenic Cc1ccc(OCC(=O)OC/C(O)=N/C23CC4CC(CC(C4)C2)C3)cc1C ZINC000007001401 FI Annotated Mild CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F ZINC000007001727 FI Annotated Anodyne Cc1cc(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)s2)on1 ZINC000007005566 FI Annotated Anodyne Cc1cc(-c2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)s2)on1 ZINC000007005568 FI Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(C(C#N)=C3CCCC3)n2)cc1 ZINC000007109618 FI Annotated Reactive CC(=O)Oc1ccc(/C=C/COC/C=C/c2ccc(OC(C)=O)cc2)cc1 ZINC000070455130 FI Annotated Anodyne in-vitro biogenic C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@]2(OC)CC1 ZINC000070455313 FI Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1ccc(c(O)c1OC)CCCCC(=O)CC2 ZINC000070455432 FI Annotated Anodyne in-vitro biogenic O=C1CCCCCC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000070462975 FI Annotated Anodyne O=C1C=C(N2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2c(O)cccc21 ZINC000071280648 FI Annotated Mild CN(C)CCCNc1nc2c3ccncc3ccc2c2cc3c(cc12)OCO3 ZINC000071280942 FI Annotated Bother COc1cc2cc[n+](CCc3cccc(C(F)(F)F)c3)cc2cc1OC ZINC000071294426 FI Annotated Anodyne Cc1nc(C#Cc2cc(Br)cc(Br)c2)cs1 ZINC000071295970 FI Annotated Mild N=C(N)C1(C(=O)NCCCCCCCCCCOCC2CCCC2)CC1 ZINC000071296265 FI Annotated Anodyne O=C(c1cccc2[nH]ccc12)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000071296351 FI Annotated Anodyne CC[C@@H]1/C(=N/NC(N)=S)C[C@@H](c2ccccc2)O[C@H]1c1ccccc1 ZINC000071296499 FI Annotated Mild N#Cc1c(/C=C/c2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2oc1=O ZINC000071296507 FI Annotated Mild O=C(c1cccc2[nH]ccc12)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000071316576 FI Annotated Anodyne CC(=O)Oc1c(Cl)c(Cl)c2oc(C(=O)C=C(C)C)c(N)c2c1C#N ZINC000071318491 FI Annotated Mild N#Cc1c(/C=C/c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2oc1=O ZINC000071319275 FI Annotated Mild O=C(OCCBr)C1(c2ccc(-c3ccccc3)c(F)c2)CC1 ZINC000071329048 FI Annotated Reactive CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)cn2C)c(=O)n1C ZINC000071330062 FI Annotated Anodyne O=C(c1ccc2[nH]ccc2c1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071330481 FI Annotated Anodyne C[N+]1(CCOc2cnc3c4c(cccc24)C(=O)c2ccccc2-3)CCCCC1 ZINC000071331654 FI Annotated Bother O=C1c2ccc(C#Cc3ccc(Cl)cc3)nc2CCN1C1CCCC1 ZINC000071332091 FI Annotated Mild O=C1c2ccc(C#Cc3ccccc3Cl)nc2CCN1C1CCCC1 ZINC000071333702 FI Annotated Mild CCOC(=O)C(C)(C)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000071334132 FI Annotated Mild Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)n[nH]1 ZINC000071334580 FI Annotated Mild O=C(O)c1cn(C/C=C/c2ccc(Cl)cc2)c2c(F)cccc2c1=O ZINC000071335379 FI Annotated Anodyne O=C1c2ccc(C#Cc3ccccc3Cl)nc2CCN1C1CCCCC1 ZINC000071340521 FI Annotated Mild Cc1c/c(=N\C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2[nH]1 ZINC000071341008 FI Annotated Bother CC[N+](C)(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000071341650 FI Annotated Bother C[N+]1(CCOc2cnc3c4c(cccc24)C(=O)c2ccccc2-3)CCCC1 ZINC000071359407 FI Annotated Bother CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 ZINC000071769896 FI Annotated Anodyne CC(C)c1cccc(Oc2ccc(/C(=N/O)NCc3ccncc3)cn2)c1 ZINC000072100824 FI Annotated Mild CC(C)c1ccc(Oc2ncccc2/C(=N/O)NCc2ccncc2)cc1 ZINC000072100929 FI Annotated Mild Cc1ccccc1CN/C(=N\O)c1cccnc1Oc1c(F)cccc1F ZINC000072100951 FI Annotated Mild CC(C)c1cccc(Oc2cc(/C(=N/O)NCc3ccncc3)ccn2)c1 ZINC000072100959 FI Annotated Mild CCOc1ccc(-c2nc(CNCCCN(C)c3ccccc3)co2)cc1 ZINC000072100981 FI Annotated Anodyne CCOc1ccc(-c2nc(CNCc3cccc(OC)c3OC)co2)cc1 ZINC000072101148 FI Annotated Anodyne N#CCCN(Cc1coc(-c2cccc3ccccc23)n1)C[C@@H]1CCCO1 ZINC000072101167 FI Annotated Mild N#CCCN(Cc1coc(-c2cccc3ccccc23)n1)C[C@H]1CCCO1 ZINC000072101168 FI Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NC1CCCC1 ZINC000072101172 FI Annotated Mild CCOc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccco2)cc1 ZINC000072101219 FI Annotated Mild O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CCCCC1 ZINC000072101220 FI Annotated Anodyne O=C(N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CCCCC1 ZINC000072101221 FI Annotated Anodyne Brc1ccc(-c2nc(Cn3ncc4c3CCCC4)co2)cc1 ZINC000072101293 FI Annotated Anodyne COc1cccc(Oc2ccc(/C(=N/O)N3Cc4ccccc4C3)cn2)c1 ZINC000072101417 FI Annotated Mild Cc1ccc(Oc2cc(/C(=N/O)NC3CCCC3)ccn2)c2c1CCC2 ZINC000072101463 FI Annotated Mild Cc1ccc(/C(=N/O)N2CCSC2)c(Oc2ccc3ccccc3c2)n1 ZINC000072101472 FI Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1[C@@H](C)C=C[C@H]1C ZINC000072101584 FI Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1[C@@H](C)C=C[C@@H]1C ZINC000072101585 FI Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1[C@H](C)C=C[C@H]1C ZINC000072101586 FI Annotated Mild CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2cccc3ccccc23)n1 ZINC000072101692 FI Annotated Anodyne CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2cccc3ccccc23)n1 ZINC000072101693 FI Annotated Anodyne CC(C)(C)CN/C(=N\O)c1ccnc(Oc2ccc(F)c(Cl)c2)c1 ZINC000072101696 FI Annotated Mild CN(/C(=N\O)c1cccnc1OCc1cccc(F)c1)c1ccccc1 ZINC000072101740 FI Annotated Mild O[C@](c1ccc(C(F)(F)F)cc1)(c1cncnc1)c1ccccc1Cl ZINC000072101809 FI Annotated Anodyne O[C@@](c1ccc(C(F)(F)F)cc1)(c1cncnc1)c1ccccc1Cl ZINC000072101810 FI Annotated Anodyne CN(C)CC(C)(C)CNCc1coc(-c2ccc(Cl)cc2Cl)n1 ZINC000072101829 FI Annotated Anodyne COC[C@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1 ZINC000072101834 FI Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1 ZINC000072101835 FI Annotated Mild CCOc1ccccc1-c1nc(CNCc2cccc(OC)c2OC)co1 ZINC000072101893 FI Annotated Anodyne FC(F)(F)Oc1ccc(-c2nc(Cn3ncc4c3CCCC4)co2)cc1 ZINC000072101935 FI Annotated Anodyne COc1ccc(Oc2cc(/C(=N/O)N3[C@@H](C)CCC[C@H]3C)ccn2)cc1 ZINC000072101966 FI Annotated Mild COc1ccc(Oc2cc(/C(=N/O)N3[C@@H](C)CCC[C@@H]3C)ccn2)cc1 ZINC000072101967 FI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N(C)Cc3cccnc3)cn2)c1 ZINC000072102015 FI Annotated Mild Cc1cccc(Oc2ncccc2/C(=N/O)NCc2cccs2)c1C ZINC000072102048 FI Annotated Mild CCOc1ccc(-c2nc(CNCc3c(OC)cccc3OC)co2)cc1 ZINC000072102071 FI Annotated Anodyne O/N=C(\NCc1ccccc1)c1cccnc1Oc1c(F)cccc1F ZINC000072102073 FI Annotated Mild COc1ccc(CCN(C)Cc2coc(-c3ccc(F)cc3)n2)cc1OC ZINC000072102147 FI Annotated Anodyne COc1ccccc1Oc1ncccc1/C(=N/O)N1[C@H](C)CCC[C@H]1C ZINC000072102153 FI Annotated Mild Cc1ccc(Oc2cc(/C(=N/O)NCc3ccco3)ccn2)c2c1CCC2 ZINC000072102155 FI Annotated Mild Cc1ccc(/C(=N/O)N2CCCC2)c(OCc2ccc(C(C)C)cc2)n1 ZINC000072102246 FI Annotated Mild O/N=C(\NCc1c(F)cccc1F)c1cccnc1Oc1ccccc1 ZINC000072102254 FI Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N(C)Cc2ccco2)cc1 ZINC000072102300 FI Annotated Mild O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCSCC1 ZINC000072102322 FI Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2cccs2)cc1 ZINC000072102341 FI Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CCC2)cc1 ZINC000072102413 FI Annotated Mild C[C@H]1C[C@@H](C)CN(/C(=N\O)c2ccnc(Oc3ccc(F)c(F)c3)c2)C1 ZINC000072102497 FI Annotated Mild C[C@H]1C[C@H](C)CN(/C(=N\O)c2ccnc(Oc3ccc(F)c(F)c3)c2)C1 ZINC000072102498 FI Annotated Mild C[C@@H]1C[C@@H](C)CN(/C(=N\O)c2ccnc(Oc3ccc(F)c(F)c3)c2)C1 ZINC000072102499 FI Annotated Mild Fc1cccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c1 ZINC000072102761 FI Annotated Anodyne COCCN(/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1C)C(C)C ZINC000072102769 FI Annotated Mild CSc1ccc(Oc2ccc(/C(=N/O)N(C)Cc3ccco3)cn2)cc1 ZINC000072102776 FI Annotated Mild CCCN(CC1CC1)/C(=N\O)c1cccnc1Oc1ccc(OC)cc1 ZINC000072102874 FI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc(C(C)C)c1 ZINC000072102905 FI Annotated Mild Cc1ccc(/C(=N/O)NCc2ccccc2)c(OCc2cccc(F)c2)n1 ZINC000072102910 FI Annotated Mild CCOc1cccc(-c2nc(CN(CCC#N)Cc3cccnc3)co2)c1 ZINC000072102948 FI Annotated Mild CC(C)c1cccc(Oc2cc(/C(=N/O)NCc3cccnc3)ccn2)c1 ZINC000072102960 FI Annotated Mild O/N=C(\NCc1ccccc1)c1ccc(Oc2cccc3cccnc23)nc1 ZINC000072102997 FI Annotated Mild O/N=C(/c1cccnc1Oc1ccc2ccccc2c1)N1CCSC1 ZINC000072103090 FI Annotated Mild COc1ccc(CCN(C)Cc2coc(-c3ccccc3C)n2)cc1OC ZINC000072103099 FI Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)N(C)C2CCCCC2)cc1 ZINC000072103295 FI Annotated Mild Cc1ccc(/C(=N/O)NC2CCCCC2)c(OCc2cccc(F)c2)n1 ZINC000072103447 FI Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccc(C)o2)cc1 ZINC000072103514 FI Annotated Mild Cc1ccc(/C(=N/O)NCc2cccs2)c(OCc2ccccc2C)n1 ZINC000072103687 FI Annotated Mild O/N=C(\NC1CCCC1)c1ccc(Oc2cccc3c2CCCC3)nc1 ZINC000072103808 FI Annotated Mild COc1ccc(-c2cc([C@@H](C)C(=O)O)ccc2C[C@@H]2CCCC2=O)cc1 ZINC000072104864 FI Annotated Anodyne C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(C(=O)O)cc1 ZINC000072105082 FI Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2cc(O)ccc21 ZINC000072107060 FI Annotated Anodyne O=C(c1ccccc1)N1c2ccccc2S(=O)(=O)c2ccc(Cl)cc21 ZINC000072107408 FI Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1coc2ccccc2c1=O ZINC000072107413 FI Annotated Clean COc1ccc(-c2cc(C[C@H]3CCCC3=O)ccc2[C@@H](C)C(=O)O)cc1 ZINC000072107432 FI Annotated Anodyne COc1ccc(C(=O)N2c3ccccc3Oc3cc(C#N)ccc32)cc1O ZINC000072107763 FI Annotated Mild COc1cc2c(cc1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2 ZINC000072107795 FI Annotated Anodyne C/C(=N\OCCN)c1ccc(Nc2c3ccccc3nc3occc23)cc1 ZINC000072107977 FI Annotated Mild S=C(N/N=C/c1cc2cccc(Cl)c2nc1Cl)NC1CCCC1 ZINC000072108033 FI Annotated Mild COc1cc(Br)c(Br)c2nc3ccccc3nc12 ZINC000072108114 FI Annotated Bother CC(=O)OC[C@@H](C)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000072108509 FI Annotated Reactive CN(C)CCCNc1cc(-c2ccccc2)c(C#N)c2nc3ccccc3n12 ZINC000072108537 FI Annotated Mild CN(C)CCNc1cc(-c2cccc(F)c2)c(C#N)c2nc3ccccc3n12 ZINC000072108617 FI Annotated Mild CC1=CC[C@H]2[C@]3(C)CCC[C@@](C)(C(=O)OCCO)[C@H]3CC[C@]2(CC#N)C1 ZINC000072108788 FI Annotated Mild CNCc1[nH]c2c(ccc3cnc(/C=C/c4ccccc4)cc32)c1C(=O)O ZINC000072109182 FI Annotated Anodyne Cc1cccc2cc(/C=N/NC(=S)NC3CCCCC3)c(Cl)nc12 ZINC000072109991 FI Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1 ZINC000072110231 FI Annotated Anodyne Cc1cc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nncs2)ccc1O ZINC000072110233 FI Annotated Anodyne CC(=O)OC1=C(/C=C/c2ccccc2)Oc2ccccc2C1=C(C#N)C#N ZINC000072110363 FI Annotated Reactive CS(=O)(=O)Nc1ccc2c(c1)Cc1cc(-c3ccccc3)cnc1C=C2 ZINC000072110904 FI Annotated Anodyne Cc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1cccc(Cl)c1C ZINC000072111062 FI Annotated Anodyne Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nc(-c2ccccc2)n1C ZINC000072111066 FI Annotated Anodyne CCCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 ZINC000072111073 FI Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2cc(O)ccc21 ZINC000072111146 FI Annotated Anodyne CCCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(F)cc1 ZINC000072111395 FI Annotated Mild CCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072111457 FI Annotated Mild O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccncc1 ZINC000072112330 FI Annotated Anodyne CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(SC)cc1 ZINC000072112532 FI Annotated Mild CCCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccccc1 ZINC000072112647 FI Annotated Mild CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072112768 FI Annotated Mild COc1ccc2c(-n3ccc4c(OC)c(OC)c(OC)cc43)cn(C)c2c1 ZINC000072113142 FI Annotated Anodyne Fc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 ZINC000072113171 FI Annotated Anodyne Fc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 ZINC000072113172 FI Annotated Anodyne Fc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 ZINC000072113173 FI Annotated Anodyne Fc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c(F)c1 ZINC000072113174 FI Annotated Anodyne O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccn1 ZINC000072113813 FI Annotated Anodyne CN(C(=O)N(C)C1C2CC3CC(C2)CC1C3)c1ccc(F)c(F)c1F ZINC000072114782 FI Annotated Anodyne CC(C)(C)c1ccc([C@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 ZINC000072114839 FI Annotated Mild CC(C)(C)c1ccc([C@@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 ZINC000072114840 FI Annotated Mild Cc1nc(Nc2ccc3oc(=O)ccc3c2)nc(Cl)c1CCCl ZINC000072116665 FI Annotated Reactive O=C1OCC(Nc2cccc(Cl)c2)=C1c1ccc(Br)cc1 ZINC000072117133 FI Annotated Anodyne O=C1OCC(Nc2ccc(Cl)cc2)=C1c1ccc(Br)cc1 ZINC000072117134 FI Annotated Anodyne Cc1cc(Cl)cc(C)c1Oc1ccc(=O)n(Nc2cccc(C#N)c2)n1 ZINC000072118202 FI Annotated Mild CN(C)CCCNCc1nccc2c3ccccc3n(Cc3ccccc3)c12 ZINC000072118372 FI Annotated Anodyne Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(Cl)cc3)n2)c(C)c1 ZINC000072118380 FI Annotated Anodyne O=C(/C=C/c1ccc2c(ccc[n+]2[O-])c1)c1ccc(Br)cc1 ZINC000072118480 FI Annotated Mild CC(C)(N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 ZINC000072118605 FI Annotated Anodyne CCN(CC)CCNCc1nccc2c3ccccc3n(CC(C)C)c12 ZINC000072118655 FI Annotated Anodyne CC(C)N1CCN=C1/N=C(/Nc1ccc(Cl)c(Cl)c1)NC(C)(C)C ZINC000072118753 FI Annotated Mild N/C(=N\c1nccn1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000072118939 FI Annotated Mild O=C1OCC(Nc2cc(F)cc(F)c2)=C1c1ccc(Br)cc1 ZINC000072119632 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@@H](C1CCCCC1)C2 ZINC000072122084 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@@H](C1CCCCC1)C2 ZINC000072122085 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](C1CCCCC1)C2 ZINC000072122086 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](C1CCCCC1)C2 ZINC000072122087 FI Annotated Anodyne Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(F)cc3)c2n1 ZINC000072123178 FI Annotated Anodyne COc1ccc(-n2ncc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1 ZINC000072124309 FI Annotated Anodyne CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(NC(C)=O)cc1 ZINC000072127527 FI Annotated Anodyne O=[N+]([O-])c1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 ZINC000072128555 FI Annotated Bother O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCc2ccccc2C1 ZINC000072134055 FI Annotated Anodyne Cc1ccc(CN2[C@H](C)[C@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000072134256 FI Annotated Anodyne Cc1ccc(CN2[C@@H](C)[C@H](C)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000072134257 FI Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1F ZINC000072134821 FI Annotated Clean O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1cccc(F)c1 ZINC000072137635 FI Annotated Clean C[C@H]1C[C@@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 ZINC000072138222 FI Annotated Anodyne C[C@H]1C[C@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 ZINC000072138223 FI Annotated Anodyne CCC[C@@H]1CN(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000072138500 FI Annotated Anodyne CCC[C@@H]1CN(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000072138501 FI Annotated Anodyne CCC[C@H]1CN(c2ccc(OC)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000072138502 FI Annotated Anodyne Cc1ccc(Cn2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1 ZINC000072139595 FI Annotated Clean CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccco2)cc1 ZINC000072141209 FI Annotated Mild Cc1ccc(/C(=N/O)NC2CCC(C)CC2)c(OCc2cccc(F)c2)n1 ZINC000072141326 FI Annotated Mild Cc1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000072141367 FI Annotated Anodyne CCOc1cccc(-c2nc(CNCc3ccc(OC)c(OC)c3)co2)c1 ZINC000072141380 FI Annotated Anodyne CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC=N2)cc1C ZINC000072141386 FI Annotated Mild CN(C)c1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 ZINC000072141442 FI Annotated Anodyne CN(C)c1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 ZINC000072141443 FI Annotated Anodyne Cc1ccc(/C(=N/O)N(C)Cc2ccco2)c(Oc2cccc(F)c2)n1 ZINC000072141457 FI Annotated Mild COc1cc(N=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC ZINC000072141537 FI Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072141644 FI Annotated Mild O=C(C[C@H]1C(=O)N(c2ccccc2)C[C@H]1c1ccccc1)Nc1ccccc1 ZINC000072141730 FI Annotated Anodyne O=C(C[C@H]1C(=O)N(c2ccccc2)C[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000072141732 FI Annotated Anodyne O=C(C[C@@H]1C(=O)N(c2ccccc2)C[C@H]1c1ccccc1)Nc1ccccc1 ZINC000072141734 FI Annotated Anodyne O=C(C[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000072141735 FI Annotated Anodyne Cc1ccc(/C(=N/O)N2C[C@@H](C)C[C@@H](C)C2)c(Oc2cccc(F)c2)n1 ZINC000072142429 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H](C)C[C@H](C)C2)c(Oc2cccc(F)c2)n1 ZINC000072142431 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@H](C)C[C@@H](C)C2)c(Oc2cccc(F)c2)n1 ZINC000072142433 FI Annotated Mild O=C1OCC(Nc2ccccc2Cl)=C1c1ccc(Br)cc1 ZINC000072142594 FI Annotated Anodyne CN(Cc1ccco1)/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072142910 FI Annotated Mild CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2F)cc1 ZINC000072169782 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c(Cc2ccccc2)c1Cc1c(O)ccc2ccccc12 ZINC000072170928 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c(-c2ccoc2)c1Cc1c(O)ccc2ccccc12 ZINC000072170967 FI Annotated Anodyne O=c1[nH]c(=S)[nH]c(-c2ccco2)c1Cc1c(O)ccc2ccccc12 ZINC000072171870 FI Annotated Anodyne COCCOc1cccc(-c2nc3ccc(SC(C)C)nn3c2C)c1 ZINC000072173294 FI Annotated Anodyne C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C)cc1 ZINC000072174795 FI Annotated Reactive C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000072174879 FI Annotated Reactive O=c1[nH]c2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12 ZINC000072175310 FI Annotated Anodyne O/N=C(/c1cccnc1Oc1ccc2c(c1)CCCC2)N1CCCCC1 ZINC000072175343 FI Annotated Mild CCCCNC(=O)c1ccc(C2OOC(c3ccc(CC)cc3)OO2)cc1 ZINC000072175363 FI Annotated Reactive COc1cc(C(C)=O)cc(NC(=O)CCCC[C@@H]2CCSS2)c1O ZINC000072175373 FI Annotated Reactive O=C1/C(=C/c2ccc3[nH]ccc3c2)CNC/C1=C\c1ccc2[nH]ccc2c1 ZINC000072175568 FI Annotated Mild Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@H](O)CN1C(=O)C1CCC1 ZINC000072175629 FI Annotated Anodyne Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](O)CN1C(=O)C1CCC1 ZINC000072175630 FI Annotated Anodyne Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](O)CN1C(=O)C1CCC1 ZINC000072175631 FI Annotated Anodyne Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](O)CN1C(=O)C1CCC1 ZINC000072175632 FI Annotated Anodyne COc1cc(CNc2cc3c(cn2)[nH]c2ccccc23)cc(OC)c1OC ZINC000072175689 FI Annotated Anodyne Cc1ccc2nc3c(cc2c1)C=Nn1c(nnc1-c1ccccc1Cl)N3 ZINC000072175742 FI Annotated Anodyne O=C1Oc2ccc3ccccc3c2C(=O)/C1=N/Nc1ccc(Cl)cc1 ZINC000072175751 FI Annotated Mild O=C(C[C@@H]1CC[C@@H](/C=C/C(=O)c2ccccc2)OO1)OCc1ccccc1 ZINC000072176385 FI Annotated Reactive COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)c(OC)c1OC ZINC000072176689 FI Annotated Anodyne Cc1cc(-c2cc(C)c([C@@H]3CCCN3C(=O)c3cncs3)cn2)ccn1 ZINC000072176951 FI Annotated Anodyne Cc1cc(-c2cc(C)c([C@H]3CCCN3C(=O)c3cncs3)cn2)ccn1 ZINC000072176952 FI Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12 ZINC000072177585 FI Annotated Anodyne O=C1Oc2ccc(-c3ccccc3)cc2C(=O)/C1=N/Nc1ccc(F)cc1 ZINC000072177640 FI Annotated Mild Cc1ccccc1N/N=C1\C(=O)Oc2ccc(-c3ccccc3)cc2C1=O ZINC000072177641 FI Annotated Mild Cc1cccc(N/N=C2\C(=O)Oc3ccc(-c4ccccc4)cc3C2=O)c1 ZINC000072177828 FI Annotated Mild CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(C3=CCNCC3)ccc12 ZINC000072178277 FI Annotated Bother O=C(C[C@@H]1CC[C@@H](/C=C\C(=O)c2ccccc2)OO1)OCc1ccccc1 ZINC000072178330 FI Annotated Reactive COC(=O)c1nc(C2CCCCC2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072178822 FI Annotated Anodyne COc1c(CN(Cc2ccccc2)C(C)=O)ccc2c1OC(C)(C)C=C2 ZINC000072178859 FI Annotated Anodyne COc1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 ZINC000072178885 FI Annotated Anodyne Cc1nccn1CCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000072179064 FI Annotated Anodyne Oc1ccc2ccccc2c1[C@@H](c1ccc(F)cc1)N1CCC(O)CC1 ZINC000072179410 FI Annotated Clean Oc1ccc2ccccc2c1[C@H](c1ccc(F)cc1)N1CCC(O)CC1 ZINC000072179411 FI Annotated Clean Cc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCOCC3)n12 ZINC000072179465 FI Annotated Anodyne Cc1nccn1CCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000072179503 FI Annotated Anodyne Cc1cc2nc(-c3c(N)ncc(C#N)c3-c3ccc(O)cc3)[nH]c2cc1C ZINC000072179862 FI Annotated Mild Cc1c(Cl)cccc1NC(=O)O[C@](C)(OC1CCCCC1)C(=O)O ZINC000072179915 FI Annotated Anodyne Cc1c(Cl)cccc1NC(=O)O[C@@](C)(OC1CCCCC1)C(=O)O ZINC000072179916 FI Annotated Anodyne CCOc1ccccc1-c1nc(CNCc2cc(OC)cc(OC)c2)co1 ZINC000072179924 FI Annotated Anodyne Cc1ccc(/C(=N/O)N2CC=CCC2)c(Oc2cccc3c2CCCC3)n1 ZINC000072179993 FI Annotated Mild COc1cc(C)ccc1Oc1ncccc1/C(=N/O)NC1CCCCC1 ZINC000072180097 FI Annotated Mild C=CCc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CC2)c(OC)c1 ZINC000072180104 FI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccco2)c(C)c1 ZINC000072180180 FI Annotated Mild O/N=C(\NCc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072180184 FI Annotated Mild Cc1ccc(/C(=N/O)N2CCSCC2)c(Oc2cccc(C(C)C)c2)n1 ZINC000072180294 FI Annotated Mild O/N=C(/c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1)N1CCCCC1 ZINC000072180331 FI Annotated Mild Cc1ccc(/C(=N/O)NCC2CC2)c(Oc2cccc3c2CCCC3)n1 ZINC000072180659 FI Annotated Mild Cc1ccc(/C(=N/O)N2Cc3ccccc3C2)c(Oc2cccc(F)c2)n1 ZINC000072180682 FI Annotated Mild Cc1ccc(CN/C(=N\O)c2ccc(Oc3ccc(Cl)cc3)nc2)o1 ZINC000072180885 FI Annotated Mild COCCN(/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1)C(C)C ZINC000072180903 FI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)n3ccnc3C)cn2)cc(C(C)C)c1 ZINC000072180959 FI Annotated Mild CCC(CC)N/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1OC ZINC000072181030 FI Annotated Mild COc1cccc(N(C)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)n1 ZINC000072181132 FI Annotated Anodyne CCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1Oc1ccc(OC)cc1 ZINC000072181133 FI Annotated Mild CC(C)(C)CN/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072181268 FI Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NCC(C)(C)C ZINC000072181296 FI Annotated Mild CCCN(CC1CC1)/C(=N\O)c1cccnc1Oc1ccccc1OC ZINC000072181342 FI Annotated Mild COCCN(/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1)C(C)C ZINC000072181390 FI Annotated Mild Cc1oc(-c2ccccc2[N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072181625 FI Annotated Bother CC1CCC(N/C(=N\O)c2cccnc2Oc2c(F)cccc2F)CC1 ZINC000072181817 FI Annotated Mild CSc1ccc(Oc2cc(/C(=N/O)N3CCC(C)CC3)ccn2)cc1 ZINC000072181832 FI Annotated Mild O/N=C(\NCc1cc(F)cc(F)c1)c1ccc(Oc2cccc(F)c2)nc1 ZINC000072181834 FI Annotated Mild COc1cc(-c2nc(CN[C@@H](C)c3ccccc3)co2)cc(OC)c1OC ZINC000072181838 FI Annotated Anodyne COc1cc(-c2nc(CN[C@H](C)c3ccccc3)co2)cc(OC)c1OC ZINC000072181839 FI Annotated Anodyne CSCCN/C(=N\O)c1ccc(C)nc1Oc1ccc2ccccc2c1 ZINC000072181908 FI Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)n2ccnc2C)cc1C ZINC000072181924 FI Annotated Mild C[C@H]1C[C@@H](C)CN(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)C1 ZINC000072181925 FI Annotated Mild C[C@H]1C[C@H](C)CN(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)C1 ZINC000072181926 FI Annotated Mild C[C@@H]1C[C@@H](C)CN(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)C1 ZINC000072181927 FI Annotated Mild CCC(CC)N/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072181956 FI Annotated Mild CC(C)c1ccc(N/C(=N\O)c2cccnc2OCC(F)(F)F)cc1 ZINC000072181973 FI Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)NCc2ccco2)c2c1CCC2 ZINC000072181983 FI Annotated Mild O/N=C(\NCc1ccncc1)c1ccc(Oc2ccc3ccccc3c2)nc1 ZINC000072181995 FI Annotated Mild Oc1ccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)cc1 ZINC000072182064 FI Annotated Anodyne CC(C)OCCCNCc1coc(-c2ccccc2Br)n1 ZINC000072182205 FI Annotated Anodyne CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CC2)cc1C ZINC000072182233 FI Annotated Mild CCOc1ccccc1-c1nc(CNCc2ccc(OC)cc2OC)co1 ZINC000072182295 FI Annotated Anodyne Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072182416 FI Annotated Mild Oc1ccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)cc1 ZINC000072182550 FI Annotated Anodyne Brc1ccccc1-c1nc(CNCCOc2ccccc2)co1 ZINC000072182564 FI Annotated Anodyne Cc1ccc(Oc2ncccc2/C(=N/O)N2CCC[C@@H]2C)c2c1CCC2 ZINC000072182751 FI Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)N2CCC[C@H]2C)c2c1CCC2 ZINC000072182752 FI Annotated Mild Cc1ccc(/C(=N/O)N2[C@@H](C)CC[C@H]2C)c(OCc2cccc(F)c2)n1 ZINC000072182771 FI Annotated Mild Cc1ccc(/C(=N/O)N2[C@@H](C)CC[C@@H]2C)c(OCc2cccc(F)c2)n1 ZINC000072182772 FI Annotated Mild Cc1ccc(/C(=N/O)N2[C@H](C)CC[C@H]2C)c(OCc2cccc(F)c2)n1 ZINC000072182773 FI Annotated Mild CCOc1ccc(-c2nc(CNCc3ccc(OC)cc3OC)co2)cc1 ZINC000072182806 FI Annotated Anodyne CCOc1ccccc1-c1nc(CNCCCN(C)c2ccccc2)co1 ZINC000072182830 FI Annotated Anodyne Cc1ccc(Oc2cc(/C(=N/O)N3CCCCC3)ccn2)c2c1CCC2 ZINC000072182933 FI Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)n2nc(C)cc2C)cc1 ZINC000072183116 FI Annotated Mild O/N=C(\NCc1cccnc1)c1ccc(Oc2cccc3ccccc23)nc1 ZINC000072183130 FI Annotated Mild CN(Cc1cccnc1)Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000072183133 FI Annotated Anodyne O/N=C(/c1ccnc(Oc2cc(Cl)ccc2Cl)c1)N1CCC=N1 ZINC000072183136 FI Annotated Mild Cc1ccc(/C(=N/O)NCc2ccc(C)o2)c(Oc2cccc(F)c2)n1 ZINC000072183148 FI Annotated Mild CN(/C(=N\O)c1cccnc1OCc1ccccc1F)c1ccccc1 ZINC000072183190 FI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)NCc3cccs3)cn2)c1 ZINC000072183350 FI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2cccs2)cc1 ZINC000072183400 FI Annotated Mild Cc1cccc(Oc2ncccc2/C(=N/O)N(C)Cc2cccnc2)c1C ZINC000072183412 FI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)n3cnc(C)c3)cn2)cc(C(C)C)c1 ZINC000072183429 FI Annotated Mild CCOc1ccccc1-c1nc(CN(CC)c2ccc3c(c2)OCO3)co1 ZINC000072183434 FI Annotated Clean CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSC2)cc1 ZINC000072183457 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)NCc3cccs3)ccn2)cc1 ZINC000072183591 FI Annotated Mild CCCN(CC1CC1)/C(=N\O)c1cccnc1Oc1c(F)cccc1F ZINC000072183622 FI Annotated Mild CN(C)CCN(Cc1ccccc1)Cc1coc(-c2cccc(F)c2)n1 ZINC000072183643 FI Annotated Anodyne Cc1ccc(CN/C(=N\O)c2ccnc(Oc3ccc(Cl)cc3)c2)o1 ZINC000072183750 FI Annotated Mild O/N=C(\NCC1CCCCC1)c1cccnc1Oc1c(F)cccc1F ZINC000072183816 FI Annotated Mild Cc1ccc(/C(=N/O)N2[C@@H](C)CC[C@H]2C)c(OCc2ccccc2C)n1 ZINC000072183921 FI Annotated Mild Cc1ccc(/C(=N/O)N2[C@@H](C)CC[C@@H]2C)c(OCc2ccccc2C)n1 ZINC000072183922 FI Annotated Mild Cc1ccc(/C(=N/O)N2[C@H](C)CC[C@H]2C)c(OCc2ccccc2C)n1 ZINC000072183923 FI Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCC(C)CC2)cc1 ZINC000072183930 FI Annotated Mild C[C@@H]1CCc2ccccc2N1/C(=N\O)c1cccnc1OCC(C)(C)C ZINC000072183936 FI Annotated Mild C[C@H]1CCc2ccccc2N1/C(=N\O)c1cccnc1OCC(C)(C)C ZINC000072183937 FI Annotated Mild Cc1ccc(/C(=N/O)NCc2ccccc2F)c(Oc2cccc(F)c2)n1 ZINC000072183941 FI Annotated Mild Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)C[C@@H]2C)c1 ZINC000072183944 FI Annotated Anodyne O/N=C(\NCc1cccs1)c1cccnc1Oc1c(F)cccc1F ZINC000072184059 FI Annotated Mild Cc1ccc(/C(=N/O)N2CCC=N2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072184102 FI Annotated Mild Cc1ccc(/C(=N/O)N2CCCCCC2)c(Oc2ccc(F)c(F)c2)n1 ZINC000072184109 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)N3CCCCCC3)ccn2)cc1 ZINC000072184204 FI Annotated Mild COc1cccc(CNCc2coc(-c3ccccc3Br)n2)c1 ZINC000072184205 FI Annotated Anodyne CCOc1cccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)c1 ZINC000072184217 FI Annotated Anodyne O/N=C(\NCc1cc(F)ccc1F)c1cccnc1Oc1ccc(F)cc1 ZINC000072184229 FI Annotated Mild O/N=C(\NCc1cccnc1)c1cccnc1Oc1ccc2ccccc2c1 ZINC000072184234 FI Annotated Mild CCOc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 ZINC000072184317 FI Annotated Anodyne CCOc1ccc(-c2nc(CNCc3cc(OC)cc(OC)c3)co2)cc1 ZINC000072184331 FI Annotated Anodyne Cc1ccc(/C(=N/O)NC(C)C)c(Oc2cccc3ccc(C)nc23)n1 ZINC000072184335 FI Annotated Mild Cc1cc(C)n(/C(=N\O)c2cccnc2Oc2ccc(C)c3c2CCC3)n1 ZINC000072184376 FI Annotated Mild COc1cc(-c2nc(CN(C)c3ccccc3)co2)cc(OC)c1OC ZINC000072184450 FI Annotated Anodyne Cc1ccc(/C(=N/O)N2CCCC2)c(Oc2cccc3c2CCCC3)n1 ZINC000072184488 FI Annotated Mild Cc1ccc(/C(=N/O)N(C)c2ccccc2)c(OCc2ccccc2F)n1 ZINC000072184587 FI Annotated Mild O/N=C(\NCc1ccccc1F)c1cccnc1Oc1ccc(F)cc1 ZINC000072184602 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H](C)C[C@@H](C)C2)c(OCc2cccc(F)c2)n1 ZINC000072184611 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H](C)C[C@H](C)C2)c(OCc2cccc(F)c2)n1 ZINC000072184612 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@H](C)C[C@@H](C)C2)c(OCc2cccc(F)c2)n1 ZINC000072184613 FI Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CCCCC2)cc1 ZINC000072184654 FI Annotated Mild CN(/C(=N\O)c1cccnc1OCc1cccc(F)c1)C1CCCCC1 ZINC000072184710 FI Annotated Mild Cc1ccc(/C(=N/O)NCc2ccccc2)c(Oc2ccc(F)c(F)c2)n1 ZINC000072184741 FI Annotated Mild O/N=C(\NCc1ccco1)c1ccnc(Oc2ccc(F)c(Cl)c2)c1 ZINC000072184755 FI Annotated Mild COC[C@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1 ZINC000072184780 FI Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1 ZINC000072184781 FI Annotated Mild Fc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1 ZINC000072184827 FI Annotated Anodyne CCOc1cccc(-c2nc(CNCc3ccccc3OCC)co2)c1 ZINC000072184851 FI Annotated Anodyne CCOc1ccccc1-c1nc(Cn2nc(N)cc2-c2ccccc2)co1 ZINC000072184960 FI Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCCCC2)cc1 ZINC000072185005 FI Annotated Mild CSCCN/C(=N\O)c1cccnc1Oc1cccc2ccccc12 ZINC000072185015 FI Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)NC3CCC(C)CC3)cn2)c1 ZINC000072185023 FI Annotated Mild CCN(CCNCc1coc(-c2cccc(F)c2)n1)c1cccc(C)c1 ZINC000072185050 FI Annotated Anodyne Cc1ccc(/C(=N/O)NC2CCCCC2)c(OCc2ccccc2C)n1 ZINC000072185064 FI Annotated Mild O/N=C(/c1ccc(Oc2cccc3c2CCCC3)nc1)N1CCCCC1 ZINC000072185127 FI Annotated Mild CCN(CCNCc1coc(-c2cccc(OC)c2)n1)c1cccc(C)c1 ZINC000072185137 FI Annotated Anodyne CC(C)c1ccc(COc2ncccc2/C(=N/O)NC2CCCC2)cc1 ZINC000072185139 FI Annotated Mild Cc1ccc(/C(=N/O)NCc2cccs2)c(OCc2cccc(F)c2)n1 ZINC000072185165 FI Annotated Mild Cc1cc(C)n(/C(=N\O)c2ccnc(Oc3cccc4c3CCCC4)c2)n1 ZINC000072185204 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)NC3CCCCC3)ccn2)cc1 ZINC000072185233 FI Annotated Mild O/N=C(\NC1CCC1)c1ccnc(Oc2cc(Cl)ccc2Cl)c1 ZINC000072185261 FI Annotated Mild CCOc1ccc(Oc2nc(C)ccc2/C(=N/O)n2nc(C)cc2C)cc1 ZINC000072185303 FI Annotated Mild N#Cc1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c(F)c1 ZINC000072185366 FI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)NCc3ccc(C)o3)cn2)c1 ZINC000072185517 FI Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccccc2)cc1 ZINC000072185556 FI Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)NCc2c(F)cccc2F)cc1 ZINC000072185600 FI Annotated Mild CCN(CCNCc1coc(-c2ccc(OC)cc2)n1)c1cccc(C)c1 ZINC000072185605 FI Annotated Anodyne Cc1ccc(/C(=N/O)NC2CCC2)c(Oc2cccc3c2CCCC3)n1 ZINC000072185652 FI Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)NCc2ccccc2C)cc1 ZINC000072185719 FI Annotated Mild Cc1ccc(/C(=N/O)N2CC=CC2)c(Oc2cccc3ccc(C)nc23)n1 ZINC000072185788 FI Annotated Mild Brc1ccccc1-c1nc(CNCCc2ccccc2)co1 ZINC000072185801 FI Annotated Anodyne Cc1cc(C)cc(Oc2nc(C)ccc2/C(=N/O)NCc2ccccn2)c1 ZINC000072185828 FI Annotated Mild Cc1ccc(C(C)C)c(Oc2cc(/C(=N/O)NC[C@@H]3CCCO3)ccn2)c1 ZINC000072185836 FI Annotated Mild Cc1ccc(C(C)C)c(Oc2cc(/C(=N/O)NC[C@H]3CCCO3)ccn2)c1 ZINC000072185837 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H]2C)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072185839 FI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@H]2C)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072185840 FI Annotated Mild Cc1ccc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)c(C)c1 ZINC000072185911 FI Annotated Anodyne Cc1cccc(N2CCN(Cc3coc(-c4ccccc4F)n3)C[C@@H]2C)c1 ZINC000072185976 FI Annotated Anodyne CSCCN/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1 ZINC000072186001 FI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N(C)Cc3ccco3)cn2)c1 ZINC000072186014 FI Annotated Mild O/N=C(\NC1CCCC1)c1cccnc1Oc1ccc2c(c1)CCCC2 ZINC000072186017 FI Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)NCC3CCCCC3)cn2)c1 ZINC000072186040 FI Annotated Mild CCOc1cccc(-c2nc(CNc3cc(C(C)(C)C)nn3C)co2)c1 ZINC000072186081 FI Annotated Anodyne O/N=C(\NC1CCCC1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072186149 FI Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)NCC2CCCCC2)cc1 ZINC000072186187 FI Annotated Mild Cc1cn(/C(=N\O)c2ccc(C)nc2Oc2ccc(F)c(Cl)c2)cn1 ZINC000072186188 FI Annotated Mild CCOc1cccc(-c2nc(Cn3cc(CCN)c4ccccc43)co2)c1 ZINC000072186230 FI Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)N(C)c2ccccc2)cc1 ZINC000072186257 FI Annotated Mild Cc1ccc(Oc2ccc(/C(=N/O)NCc3cccs3)cn2)c(C)c1 ZINC000072186306 FI Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)NCc3ccccc3C)cn2)c1 ZINC000072186361 FI Annotated Mild CSCCN/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1 ZINC000072186384 FI Annotated Mild O/N=C(/c1ccnc(Oc2cccc3ccccc23)c1)N1CCSC1 ZINC000072186391 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)N3C[C@@H](C)C[C@@H](C)C3)ccn2)cc1 ZINC000072186394 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)N3C[C@@H](C)C[C@H](C)C3)ccn2)cc1 ZINC000072186395 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)N3C[C@H](C)C[C@@H](C)C3)ccn2)cc1 ZINC000072186396 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)NCc3ccc(C)o3)ccn2)cc1 ZINC000072186397 FI Annotated Mild CN(Cc1ccco1)/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072186400 FI Annotated Mild COc1ccc(Oc2cc(/C(=N/O)NCc3ccccc3C)ccn2)cc1 ZINC000072186483 FI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)N3CCC(C)CC3)ccn2)cc1 ZINC000072186594 FI Annotated Mild O/N=C(\NCc1c(F)cccc1F)c1cccnc1Oc1ccc(F)cc1 ZINC000072186625 FI Annotated Mild CCOc1cccc(-c2nc(CNCCc3ccccc3OC)co2)c1 ZINC000072186629 FI Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)Cc1ccccc1)CC(=O)N2 ZINC000072187820 FI Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)Cc1ccccc1)CC(=O)N2 ZINC000072187821 FI Annotated Anodyne CCCN(CCC)C(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072322806 FI Annotated Mild CC(=O)c1cc2ncc(C(=O)Nc3ccc(Br)c(C)c3)cc2[nH]1 ZINC000072322841 FI Annotated Anodyne Cc1ccc(-c2cc(CNC(=O)c3cnc4c(C)csc4c3)no2)cc1 ZINC000072323095 FI Annotated Anodyne Cc1csc2cc(C(=O)NCc3cc(-c4ccc(F)cc4)on3)cnc12 ZINC000072323097 FI Annotated Anodyne CC(C)(C)n1cc(C(=O)NCc2cc(-c3ccccc3)on2)c2cccnc21 ZINC000072323220 FI Annotated Anodyne O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCc2ccccc21 ZINC000072323284 FI Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323326 FI Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2cnc3cc(C(C)=O)[nH]c3c2)c(C)c1 ZINC000072323388 FI Annotated Anodyne CCN(CC)CCCNC(=O)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323641 FI Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)C1 ZINC000072323715 FI Annotated Mild C[C@H]1C[C@H](C)CN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)C1 ZINC000072323716 FI Annotated Mild C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)C1 ZINC000072323717 FI Annotated Mild CCN(CC)c1ccc(NC(=O)c2cnc3[nH]c(C(C)=O)cc3c2)c(C)c1 ZINC000072323905 FI Annotated Anodyne COc1cccc2c1[C@H](/C=C\c1ccccc1)[C@H]([C@H](O)CN=[N+]=[N-])OC2 ZINC000073057617 FI Annotated Clean Cc1[nH]c(=O)c(C(=O)/C=C\c2cccc(Br)c2)c2c1CCCC2 ZINC000073062098 FI Annotated Mild CC(C)(C)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C\C#Cc2ccccc2)cc1 ZINC000073101002 FI Annotated Anodyne CCOC(=O)/C=C/c1cc(Cl)ccc1OCc1nc(C)c(C)nc1C ZINC000073139095 FI Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073139691 FI Annotated Anodyne O=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000073139879 FI Annotated Anodyne COc1ccc2[nH]cc(C(=O)c3nccc4c3[nH]c3ccc(O)cc34)c2c1 ZINC000073140392 FI Annotated Anodyne CCCCCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O ZINC000073140639 FI Annotated Mild COc1ccc(-c2ncn(C)c2-c2cc(F)c(OC)c(OC)c2)cc1F ZINC000073140934 FI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)c1 ZINC000073159910 FI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)c1 ZINC000073159913 FI Annotated Anodyne Cc1ncc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCOCC3)c2)[nH]1 ZINC000073160265 FI Annotated Anodyne CCOC(=O)c1cnn2c(NC(C)(C)C)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000073160415 FI Annotated Anodyne c1ccc(C(CNCc2nnnn2C2CCCCC2)c2ccccc2)cc1 ZINC000073162230 FI Annotated Anodyne CCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1 ZINC000073162575 FI Annotated Mild C(CNCc1nnnn1C1CCCCC1)=C(c1ccccc1)c1ccccc1 ZINC000073163000 FI Annotated Anodyne CCc1c(OS(=O)(=O)c2ccc(C)cc2)c2cc(C#N)ccn2c1CC ZINC000073163142 FI Annotated Mild COc1ccccc1C1CC2(CCN(C(=O)Nc3onc(C)c3C)CC2)C1 ZINC000073164184 FI Annotated Anodyne COc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1 ZINC000073165486 FI Annotated Anodyne COc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] ZINC000073165849 FI Annotated Anodyne CO/N=C1\C[C@@H](c2ccc(OC)cc2)N(C)[C@@H](c2ccc(OC)cc2)[C@@H]1C ZINC000073167638 FI Annotated Mild CC(C)(C)c1ccc(CSc2nc(O)cc(NC(=O)C3CC3)n2)cc1 ZINC000073167688 FI Annotated Anodyne COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12 ZINC000073169553 FI Annotated Anodyne CON=C1[C@@H](C)[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@H]1C ZINC000073169578 FI Annotated Mild Cc1cc(O)ccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] ZINC000073170065 FI Annotated Anodyne CC(C)Cn1ncn(-c2nc3c(s2)[C@@H](C)Sc2sccc2-3)c1=O ZINC000073195692 FI Annotated Anodyne CC(C)Cn1ncn(-c2nc3c(s2)[C@H](C)Sc2sccc2-3)c1=O ZINC000073195693 FI Annotated Anodyne CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 ZINC000073196088 FI Annotated Anodyne CO/N=C1\C[C@@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@@H]1C ZINC000073196738 FI Annotated Mild COc1cc(OC)cc(/C(=C\CCN(C)C)c2ccc(OC)c(OC)c2)c1 ZINC000073196831 FI Annotated Anodyne CCC(O)(CC)CCCCC12CCC(COC[C@H](O)CCO)(CC1)CC2 ZINC000073197090 FI Annotated Anodyne CCC(O)(CC)CCCCC12CCC(COC[C@@H](O)CCO)(CC1)CC2 ZINC000073197091 FI Annotated Anodyne COc1ccc(CS/C=C\C[S@@](=O)Cc2ccc(OC)cc2)cc1 ZINC000073197640 FI Annotated Anodyne COc1ccc(CS/C=C\C[S@](=O)Cc2ccc(OC)cc2)cc1 ZINC000073197641 FI Annotated Anodyne COc1ccc(CS/C=C/C[S@@](=O)Cc2ccc(OC)cc2)cc1 ZINC000073197642 FI Annotated Anodyne COc1ccc(CS/C=C/C[S@](=O)Cc2ccc(OC)cc2)cc1 ZINC000073197643 FI Annotated Anodyne O=[N+]([O-])c1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1 ZINC000073198063 FI Annotated Bother CO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000073199134 FI Annotated Anodyne Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc2c1OC[C@H]1CO[C@@H]2O1 ZINC000073199217 FI Annotated Mild Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc2c1OC[C@@H]1CO[C@H]2O1 ZINC000073199218 FI Annotated Mild N#CCCN(CCc1ccccn1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000073199541 FI Annotated Mild C[C@H](NC(C)(C)C)C(=O)c1ccc(N=[N+]=[N-])c(I)c1 ZINC000073199649 FI Annotated Mild C[C@@H](NC(C)(C)C)C(=O)c1ccc(N=[N+]=[N-])c(I)c1 ZINC000073199651 FI Annotated Mild O=[N+]([O-])c1cccc(-n2cc(CSc3nc4ccccc4s3)nn2)c1 ZINC000073200059 FI Annotated Bother O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)c(C(F)(F)F)c1 ZINC000073200297 FI Annotated Bother CONC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12 ZINC000073222529 FI Annotated Bother Clc1ccc(-c2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)cc1 ZINC000073222530 FI Annotated Bother C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@@H](c2ccc(F)cc2)OC1 ZINC000073223800 FI Annotated Anodyne C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@H](c2ccc(F)cc2)OC1 ZINC000073223801 FI Annotated Anodyne Cc1ccc2cc1-c1cc(nc(N)n1)Sc1cccc(c1)OCCCO2 ZINC000073224289 FI Annotated Anodyne CC[C@@H](C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 ZINC000073224922 FI Annotated Anodyne CC[C@H](C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 ZINC000073224923 FI Annotated Anodyne C[C@]1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000073241629 FI Annotated Reactive O=C1c2ccc(-c3nc4ccc(F)cc4s3)cc2N=C[C@@H]2CCCN12 ZINC000073257959 FI Annotated Anodyne Cc1cc(Br)ccc1/N=N/[C@H]1C(=O)ON=C1c1ccccc1 ZINC000073258480 FI Annotated Mild C=CCOC[C@@H]1Cc2c(n(CC=C)c3ccccc23)[C@H]2CCCC(=O)N12 ZINC000073274000 FI Annotated Mild C=CCOC[C@H]1Cc2c(n(CC=C)c3ccccc23)[C@@H]2CCCC(=O)N21 ZINC000073274110 FI Annotated Mild CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)C1CCCCC1 ZINC000073274421 FI Annotated Anodyne Cc1nn(C)c(C)c1N(CC(C)C)C(=O)c1ccc(Br)cc1 ZINC000073276803 FI Annotated Anodyne CCc1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O ZINC000073280136 FI Annotated Anodyne C[C@@H](c1cc(N)nc(Nc2ccc(C#N)cc2)n1)c1c(F)cccc1F ZINC000073294250 FI Annotated Mild C[C@H](c1cc(N)nc(Nc2ccc(C#N)cc2)n1)c1c(F)cccc1F ZINC000073294252 FI Annotated Mild Cc1c(N)nc(Nc2ccc(C#N)cc2)nc1[C@@H](C)c1c(F)cccc1F ZINC000073294254 FI Annotated Mild Cc1c(N)nc(Nc2ccc(C#N)cc2)nc1[C@H](C)c1c(F)cccc1F ZINC000073294256 FI Annotated Mild C=C1C(=O)O[C@@]2(C)CC[C@@H]3[C@]1(CC[C@H]1[C@@]3(C)CCC[C@@]1(C)C(=O)OC)C2 ZINC000073295328 FI Annotated Mild COc1ccc2c(C(=O)c3nccc4c3[nH]c3cc(OC)ccc34)c[nH]c2c1 ZINC000073295364 FI Annotated Anodyne COc1ccc2c(c1)[nH]c1c(C(=O)c3c(O)[nH]c4ccccc34)nccc12 ZINC000073295365 FI Annotated Anodyne COc1ccc2c(C(=O)c3nccc4c3[nH]c3ccccc34)c(O)[nH]c2c1 ZINC000073295367 FI Annotated Anodyne C[C@@H](c1ccccc1)N1CO[C@@]2(C#Cc3ccc4c(c3)OCO4)CCC[C@@H]12 ZINC000073295522 FI Annotated Mild Cc1c(-c2ccc(-c3ccccc3OCC#N)cc2)[nH]c2ccncc2c1=O ZINC000073296274 FI Annotated Mild Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1[C@H](O)c1ccc(F)cc1 ZINC000073296463 FI Annotated Mild Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1[C@@H](O)c1ccc(F)cc1 ZINC000073296465 FI Annotated Mild C=C(C(=O)OCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073296468 FI Annotated Reactive Cc1c([C@@H](C)c2c(F)cccc2F)nc(Nc2ccc(C#N)cc2)[nH]c1=O ZINC000073296936 FI Annotated Mild Cc1c([C@H](C)c2c(F)cccc2F)nc(Nc2ccc(C#N)cc2)[nH]c1=O ZINC000073296938 FI Annotated Mild COc1cc2nncc(-c3cnc(NC(C)C)c(C(F)F)c3)c2cc1OC ZINC000073312173 FI Annotated Anodyne COc1cc2nncc(-c3cnc(NC(C)C)c(Cl)c3)c2cc1OC ZINC000073314320 FI Annotated Anodyne CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 ZINC000073314577 FI Annotated Anodyne O=C1C[C@@H]2S[C@@](COCc3ccccc3)(CCN2Cc2ccccc2)C1 ZINC000073314868 FI Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)C(=O)[C@H](C#N)C[C@]4(C)[C@H]3CC[C@]12C ZINC000073315355 FI Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCc1c-3nc(N)c(C#N)c1-c1cccnc1 ZINC000073316692 FI Annotated Mild O=C1c2ccccc2N2O[C@@]3(N4CCCC4)CCC[C@@H]3[C@]12c1ccccc1 ZINC000073351222 FI Annotated Anodyne CC(C)Cc1ccc([C@H](C)/C=C2\CC[C@H](CN3CCOCC3)C2=O)cc1 ZINC000073370588 FI Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)OC)=C(C)N=C(N1)N23 ZINC000073371000 FI Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OC)=C(C)N=C(N1)N23 ZINC000073371002 FI Annotated Mild COc1ccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)cc1 ZINC000073387050 FI Annotated Anodyne Cn1c(-c2cccnc2)cc2cnc(Nc3ccc4c(c3)OCCO4)cc21 ZINC000074373064 FI Annotated Anodyne Cc1ccccc1NC(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373798 FI Annotated Anodyne Cc1ccccc1NC(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373802 FI Annotated Anodyne COCCN1C(=O)COCc2cc(-c3csc4ccccc34)ccc21 ZINC000074374739 FI Annotated Anodyne COc1ccc(Cl)cc1-c1ccc2c(c1)COCC(=O)N2CC1CC1 ZINC000074374938 FI Annotated Anodyne O=C1COCc2ccc(-c3cccc(O)c3)cc2N1CCc1ccccc1 ZINC000074374961 FI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)COCC(=O)N2Cc1ccccc1 ZINC000074375347 FI Annotated Anodyne COc1ccccc1-c1ccc2c(c1)N(Cc1ccccc1)C(=O)COC2 ZINC000074375396 FI Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3csc4ccccc34)cc21 ZINC000074375483 FI Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)c1 ZINC000074375485 FI Annotated Anodyne COc1cccc(CN2C(=O)COCc3ccc(-c4ccccc4)cc32)c1 ZINC000074375734 FI Annotated Anodyne N#Cc1cccc(-c2cccc3c2COCC(=O)N3Cc2ccccc2)c1 ZINC000074375803 FI Annotated Anodyne O=C1COCc2cc(-c3cccc(O)c3)ccc2N1CCc1ccccc1 ZINC000074375807 FI Annotated Anodyne CC(C)Oc1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 ZINC000074375941 FI Annotated Anodyne C/C(O)=N\c1ccc(-c2cnc3ccc(-c4cccc(CO)c4)nn23)cc1 ZINC000074385886 FI Annotated Mild C/C(O)=N\c1cccc(-c2cnc3ccc(-c4ccc(CO)cc4)nn23)c1 ZINC000074385892 FI Annotated Mild C/C(O)=N\c1cccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)c1 ZINC000074385951 FI Annotated Mild C/N=C(\O)c1cccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 ZINC000074386002 FI Annotated Mild CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(N(C)C)c4)nn23)c1 ZINC000074386044 FI Annotated Anodyne C/N=C(\O)c1cccc(-c2cnc3ccc(Cc4cccc(C)c4)nn23)c1 ZINC000074386129 FI Annotated Mild COc1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1OC ZINC000074386142 FI Annotated Anodyne CC(C)c1cccc(-c2nc3c(NC4CCC(O)CC4)nccc3[nH]2)c1 ZINC000074386567 FI Annotated Anodyne CC(C)[C@H](CO)Nc1nccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 ZINC000074386624 FI Annotated Anodyne CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 ZINC000074386714 FI Annotated Anodyne COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4ccc(C)cc4)nc23)cc1OC ZINC000074386770 FI Annotated Anodyne Oc1cccc(-c2nc3/c(=N/c4ccc(F)c(Cl)c4)[nH]ccc3[nH]2)c1 ZINC000074386772 FI Annotated Anodyne CN(C)c1cccc(CNc2nccc3[nH]c(-c4cccc(F)c4)nc23)c1 ZINC000074386774 FI Annotated Anodyne COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C)c4)nc23)cc1OC ZINC000074386778 FI Annotated Anodyne COc1cccc(-c2nc3/c(=N/c4cccc(F)c4)[nH]ccc3[nH]2)c1F ZINC000074386803 FI Annotated Anodyne COc1cc(OC)cc(-c2cc3c(Nc4cccnc4)nccc3n2C)c1 ZINC000074386901 FI Annotated Anodyne COc1cc(OC)cc(-c2cc3c(Nc4ccccn4)nccc3n2C)c1 ZINC000074387012 FI Annotated Anodyne COc1cc(OC)cc(-c2cc3c(Nc4ccncc4)nccc3n2C)c1 ZINC000074387074 FI Annotated Anodyne O/C(=N\c1cccc(F)c1)Nc1ccc2nc(-c3cccs3)nn2c1 ZINC000074387188 FI Annotated Mild O/C(=N\c1cccc(F)c1)Nc1ccc2nc(Cc3ccccc3)nn2c1 ZINC000074387218 FI Annotated Mild O/C(=N\c1ccc2nc(-c3cccs3)nn2c1)Nc1ccc(F)cc1 ZINC000074387291 FI Annotated Mild FC(F)(F)Oc1cccc(-c2ccc3nnc(-c4ccncc4)n3c2)c1 ZINC000074387383 FI Annotated Anodyne Cc1ccc(-c2cnn(C(C)(C)C(=O)NCCc3ccccc3)c2)c(C)c1 ZINC000074387527 FI Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCCN1Cc1ccccc1-c1ccccc1 ZINC000074388084 FI Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccccc1-c1ccccc1 ZINC000074388085 FI Annotated Anodyne Cn1nc(C(C)(C)C)cc1Nc1cc2c(cn1)nc(-c1ccco1)n2C ZINC000074388486 FI Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC(C)C)cc3)cc2n1CC1CC1 ZINC000074388799 FI Annotated Anodyne O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000007991320 FI Annotated Mild CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2CC1)CO[C@H](C)C3 ZINC000007991991 FI Annotated Anodyne CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2CC1)CO[C@@H](C)C3 ZINC000007991992 FI Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000007992102 FI Annotated Anodyne COc1ccc(O[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000007992103 FI Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000007992104 FI Annotated Anodyne COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO)c(C(C)(C)C)c1 ZINC000007992105 FI Annotated Anodyne OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 ZINC000007992158 FI Annotated Anodyne OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 ZINC000007992159 FI Annotated Anodyne OC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1Oc1cc(Cl)cc(Cl)c1 ZINC000007992160 FI Annotated Anodyne OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@H]1Oc1cc(Cl)cc(Cl)c1 ZINC000007992161 FI Annotated Anodyne CC(C)(C)c1ccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007992564 FI Annotated Mild CC(C)(C)c1ccc(O[C@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007992565 FI Annotated Mild CC(C)(C)c1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007992566 FI Annotated Mild CC(C)(C)c1ccc(O[C@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007992567 FI Annotated Mild CC(C)(C)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007992588 FI Annotated Mild CC(C)(C)c1ccc(O[C@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007992589 FI Annotated Mild CC(C)(C)c1ccc(O[C@@H]2[C@@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007992590 FI Annotated Mild CC(C)(C)c1ccc(O[C@H]2[C@@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007992591 FI Annotated Mild COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1sccc1C ZINC000075402960 FI Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(F)cccc4[nH]3)n2C)cc1 ZINC000076762414 FI Annotated Anodyne C=CCc1c(OCCCNC(C)C)ccc2oc3ccccc3c(=O)c12 ZINC000078937552 FI Annotated Mild in-vitro CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C#N)(CCC)CCC)c1C ZINC000079071758 FI Annotated Reactive C[C@@H](NCCc1nc(-c2cn(C)c3ccccc23)no1)C1CCCCC1 ZINC000079605185 FI Annotated Anodyne CN(c1ccc(-c2csc(C(C#N)=C3CCCC3)n2)cc1)S(C)(=O)=O ZINC000008209906 FI Annotated Reactive Cn1c(=O)c2nc(-c3ccccc3Br)oc2c2ccccc21 ZINC000008375913 FI Annotated Anodyne CCCCCOc1c(OC)ccc2c1CN(CCc1ccc(N)cc1)C2=O ZINC000080273776 FI Annotated Anodyne CCCCCOc1c(OC)ccc2c1CN(CCc1ccc(O)cc1)C2=O ZINC000080810015 FI Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@H]3C[C@H]12 ZINC000082051605 FI Annotated Mild Cc1ccc(C2=NO[C@](CC(=O)O)(/C(O)=N/c3c(C)cccc3C)C2)cc1 ZINC000082055612 FI Annotated Mild c1ccc(Oc2ccccc2-c2nnc3ccc(-n4cccc4)nn23)cc1 ZINC000082060500 FI Annotated Anodyne CN(C)c1ccc(-c2nnc3ccc(-c4c[nH]c5ccccc45)nn23)cc1 ZINC000082060510 FI Annotated Anodyne Clc1nn2c(-c3cccc(Br)c3)nnc2c2ccccc12 ZINC000082060551 FI Annotated Anodyne C=C(C)CN(CC)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066554 FI Annotated Mild C=C(C)CN(CC)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066555 FI Annotated Mild CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 ZINC000082066898 FI Annotated Anodyne CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 ZINC000082066899 FI Annotated Anodyne CCN(CC)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066927 FI Annotated Anodyne C=CCN(C)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067115 FI Annotated Mild C=CCN(CC=C)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067189 FI Annotated Mild C=CCN(CC=C)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067190 FI Annotated Mild COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)C(C)C)n2)cc1 ZINC000082067215 FI Annotated Anodyne OCCN(Cc1ccccc1)c1cc(Oc2ccc3ccccc3c2)ncn1 ZINC000082067311 FI Annotated Anodyne OCCN(Cc1ccccc1)c1cc(Oc2cccc3ccccc23)ncn1 ZINC000082067407 FI Annotated Anodyne c1ccc2c(c1)CCN(c1cc(Oc3cccc4cccnc34)ncn1)C2 ZINC000082067467 FI Annotated Anodyne COc1cc(OC)cc(Oc2cc(NCc3cc(F)ccc3F)ncn2)c1 ZINC000082067529 FI Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)c1 ZINC000082067530 FI Annotated Anodyne COc1cccc(CNc2cc(Oc3cccc(F)c3)ncn2)c1OC ZINC000082067646 FI Annotated Anodyne COc1cccc(CNc2cc(Oc3ccccc3F)ncn2)c1OC ZINC000082067659 FI Annotated Anodyne COc1cc(OC)cc(Oc2cc(NCc3ccccc3F)ncn2)c1 ZINC000082067725 FI Annotated Anodyne COc1ccc(Oc2cc(NCCc3ccccn3)ncn2)c2ccccc12 ZINC000082067767 FI Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(NCc3cccc(Cl)c3)ncn2)c1 ZINC000082067822 FI Annotated Anodyne COc1cc(OC)cc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)c1 ZINC000082068278 FI Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)c1 ZINC000082068279 FI Annotated Anodyne COc1ccccc1CNc1cc(Oc2cccc3cccnc23)ncn1 ZINC000082068315 FI Annotated Anodyne COc1ccc(Oc2cc(NCc3cccnc3)ncn2)c2ccccc12 ZINC000082068320 FI Annotated Anodyne CCOc1ccccc1CNc1cc(Oc2ccccc2OC)ncn1 ZINC000082068336 FI Annotated Anodyne CCOc1ccccc1CNc1cc(Oc2ccc(OC)cc2)ncn1 ZINC000082068349 FI Annotated Anodyne COc1cc(OC)cc(Oc2cc(NCc3ccccc3C)ncn2)c1 ZINC000082068363 FI Annotated Anodyne C1=C(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)CCCC1 ZINC000082068433 FI Annotated Anodyne CC(C)(CO)CCCNc1cncc(Oc2cccc3cccnc23)n1 ZINC000082068517 FI Annotated Anodyne COc1ccc(OC)c(CCNc2cncc(Oc3cccc(F)c3)n2)c1 ZINC000082068523 FI Annotated Anodyne COc1ccccc1CCNc1cncc(Oc2cccc3cccnc23)n1 ZINC000082068553 FI Annotated Anodyne c1cc(Oc2cncc(NCC3CCCCC3)n2)cc(N2CCOCC2)c1 ZINC000082068562 FI Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccccc3F)n2)c1OC ZINC000082068583 FI Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccccc3F)n2)c1OC ZINC000082068591 FI Annotated Anodyne OCCCCNc1cncc(Oc2cccc(Nc3ccccc3)c2)n1 ZINC000082068617 FI Annotated Anodyne OCCCCNc1cncc(Oc2ccc(NCc3ccccc3)cc2)n1 ZINC000082068621 FI Annotated Anodyne CCCCOCCCNc1cncc(Oc2cccc3cccnc23)n1 ZINC000082068640 FI Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(F)cc3)n2)c1OC ZINC000082068654 FI Annotated Anodyne COc1cccc(CCNc2cncc(Oc3cccc(F)c3)n2)c1OC ZINC000082068655 FI Annotated Anodyne COc1cccc(CNc2cncc(Oc3cccc(F)c3)n2)c1OC ZINC000082068664 FI Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 ZINC000082068766 FI Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 ZINC000082068767 FI Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 ZINC000082068768 FI Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3F)n2)C1 ZINC000082068769 FI Annotated Anodyne COc1ccc(CNc2cncc(Oc3cccc4cccnc34)n2)cc1 ZINC000082068859 FI Annotated Anodyne COc1ccccc1Oc1cncc(NC[C@]2(C)C[C@@H](O)CC(C)(C)C2)n1 ZINC000082068872 FI Annotated Anodyne COc1ccccc1Oc1cncc(NC[C@]2(C)C[C@H](O)CC(C)(C)C2)n1 ZINC000082068873 FI Annotated Anodyne COc1ccccc1Oc1cncc(NC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)n1 ZINC000082068874 FI Annotated Anodyne COc1ccccc1Oc1cncc(NC[C@@]2(C)C[C@H](O)CC(C)(C)C2)n1 ZINC000082068875 FI Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 ZINC000082068876 FI Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 ZINC000082068877 FI Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 ZINC000082068878 FI Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(F)cc3)n2)C1 ZINC000082068879 FI Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 ZINC000082068880 FI Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 ZINC000082068881 FI Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 ZINC000082068882 FI Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3cccc(F)c3)n2)C1 ZINC000082068883 FI Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2)n1)OCCC1CCCCC1 ZINC000082072240 FI Annotated Anodyne CCCCOCCCNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082074811 FI Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)OCCc2ccccn2)cs1 ZINC000082075158 FI Annotated Anodyne O[C@H](c1cc(F)c(F)c(F)c1)c1nnc(Nc2cccc(Cl)c2)s1 ZINC000082078074 FI Annotated Anodyne O[C@@H](c1cc(F)c(F)c(F)c1)c1nnc(Nc2cccc(Cl)c2)s1 ZINC000082078076 FI Annotated Anodyne COc1cccc(Nc2nnc([C@H](O)c3ccc(SC)cc3)s2)c1 ZINC000082078196 FI Annotated Anodyne COc1cccc(Nc2nnc([C@@H](O)c3ccc(SC)cc3)s2)c1 ZINC000082078197 FI Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)cc1 ZINC000082078233 FI Annotated Anodyne COc1cccc(Nc2nnc([C@H](O)c3ccc(F)c(Cl)c3)s2)c1 ZINC000082078260 FI Annotated Anodyne COc1cccc(Nc2nnc([C@@H](O)c3ccc(F)c(Cl)c3)s2)c1 ZINC000082078262 FI Annotated Anodyne O[C@H](c1cccs1)c1nnc(Nc2cccc(C(F)(F)F)c2)s1 ZINC000082078271 FI Annotated Anodyne O[C@@H](c1cccs1)c1nnc(Nc2cccc(C(F)(F)F)c2)s1 ZINC000082078273 FI Annotated Anodyne Cc1cccc(C)c1Nc1nnc([C@H](O)c2cccc(N(C)C)c2)s1 ZINC000082078337 FI Annotated Anodyne Cc1cccc(C)c1Nc1nnc([C@@H](O)c2cccc(N(C)C)c2)s1 ZINC000082078338 FI Annotated Anodyne Cc1cccc(C)c1Nc1nnc([C@H](O)c2cc(F)c(F)c(F)c2)s1 ZINC000082078544 FI Annotated Anodyne Cc1cccc(C)c1Nc1nnc([C@@H](O)c2cc(F)c(F)c(F)c2)s1 ZINC000082078547 FI Annotated Anodyne Cc1noc(C)c1/C(O)=N/c1ccc2nc(-c3cccc(Cl)c3)nn2c1 ZINC000082078645 FI Annotated Anodyne COc1ccccc1Nc1nnc([C@H](O)c2ccc(F)c(Cl)c2)s1 ZINC000082078840 FI Annotated Anodyne COc1ccccc1Nc1nnc([C@@H](O)c2ccc(F)c(Cl)c2)s1 ZINC000082078843 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)c1csc([C@@H](O)c2ccc(Cl)cc2)n1 ZINC000082078959 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)c1csc([C@H](O)c2ccc(Cl)cc2)n1 ZINC000082078961 FI Annotated Anodyne COc1cc(-c2n[nH]c3ccnc(-c4ccsc4)c23)cc(OC)c1OC ZINC000082079014 FI Annotated Anodyne O/C(=N\Cc1ccccc1)c1csc([C@H](O)Cc2ccc(F)cc2)n1 ZINC000082079109 FI Annotated Mild O/C(=N\Cc1ccccc1)c1csc([C@@H](O)Cc2ccc(F)cc2)n1 ZINC000082079110 FI Annotated Mild COc1ccc(-c2nc3ccc(/N=C(\O)c4ccccc4OC)cn3n2)cc1 ZINC000082079195 FI Annotated Mild O/C(=N\CCc1ccccc1)c1csc([C@H](O)Cc2ccc(F)cc2)n1 ZINC000082079738 FI Annotated Mild O/C(=N\CCc1ccccc1)c1csc([C@@H](O)Cc2ccc(F)cc2)n1 ZINC000082079742 FI Annotated Mild COc1ccc(-c2ccc3nnc(-c4ccc(/N=C(\C)O)cc4)n3c2)cn1 ZINC000082081780 FI Annotated Mild COc1ccc(Nc2cc3c(cn2)[nH]/c(=N\Cc2ccccc2)n3C)c(C)c1 ZINC000082081822 FI Annotated Anodyne COc1ccc(/C(O)=N/c2ccc3nc(-c4ccsc4)nn3c2)cc1F ZINC000082081992 FI Annotated Mild COc1cccc(/C(O)=N/c2ccc3nc(-c4cccc(OC)c4)nn3c2)c1 ZINC000082082087 FI Annotated Mild C/C(O)=N\c1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1 ZINC000082082535 FI Annotated Mild C/N=C(\O)c1cccc(-c2ccc3ncc(-c4cccc(C(C)=O)c4)n3n2)c1 ZINC000082082724 FI Annotated Mild C/C(O)=N\c1ccc(-c2nnc3ccc(-c4cccc(CO)c4)cn23)cc1 ZINC000082082731 FI Annotated Mild CC(C)c1cccc(Nc2nnc([C@H](O)c3ccc4c(c3)OCO4)s2)c1 ZINC000082082887 FI Annotated Anodyne CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccc4c(c3)OCO4)s2)c1 ZINC000082082889 FI Annotated Anodyne FC(F)(F)Oc1cccc(-c2cc3c(cn2)ncn3Cc2cccnc2)c1 ZINC000082082895 FI Annotated Anodyne COc1ccc(-c2nnc3ccc(-c4cccc(N(C)C)c4)cn23)cc1OC ZINC000082082982 FI Annotated Anodyne COc1cccc([C@H](O)c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1 ZINC000082082989 FI Annotated Anodyne COc1cccc([C@@H](O)c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1 ZINC000082082990 FI Annotated Anodyne N=C(O)c1cccc(-c2cnc3ccc(Cc4ccc(F)c(F)c4)nn23)c1 ZINC000082083314 FI Annotated Anodyne COc1ccccc1Nc1nnc([C@H](O)c2ccc(SC)cc2)s1 ZINC000082083321 FI Annotated Anodyne COc1ccccc1Nc1nnc([C@@H](O)c2ccc(SC)cc2)s1 ZINC000082083324 FI Annotated Anodyne COc1ccc([C@@H](O)c2nnc(Nc3cccc(C(C)C)c3)s2)cc1 ZINC000082083360 FI Annotated Anodyne COc1ccc([C@H](O)c2nnc(Nc3cccc(C(C)C)c3)s2)cc1 ZINC000082083363 FI Annotated Anodyne COc1ccc(-c2cc3c(cn2)[nH]/c(=N\Cc2cccc(C)c2)n3C)c(C)c1 ZINC000082083481 FI Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000082086257 FI Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1coc(-c2cccs2)n1 ZINC000082086272 FI Annotated Anodyne O=C(NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086278 FI Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 ZINC000082132495 FI Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 ZINC000082132497 FI Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 ZINC000082132500 FI Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 ZINC000082132501 FI Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 ZINC000082133207 FI Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 ZINC000082136292 FI Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082139296 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 ZINC000082139434 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 ZINC000082139435 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 ZINC000082139439 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 ZINC000082139440 FI Annotated Anodyne CCN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000082139488 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000082140253 FI Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000082140401 FI Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082141875 FI Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082141878 FI Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082141879 FI Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082141881 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 ZINC000082142094 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 ZINC000082142096 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 ZINC000082142099 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 ZINC000082142101 FI Annotated Anodyne CN(C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1)C1CCCCC1 ZINC000082142436 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 ZINC000082142674 FI Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 ZINC000082143051 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 ZINC000082145296 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc(C)c2)n1 ZINC000082145299 FI Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 ZINC000082146456 FI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 ZINC000082146459 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146722 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146724 FI Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 ZINC000082147580 FI Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 ZINC000082147581 FI Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 ZINC000082147584 FI Annotated Anodyne C/C(=C(/C)c1ccc(CN(C)C)c(O)c1)c1ccc(CN(C)C)c(O)c1 ZINC000082150517 FI Annotated Clean C/C(=C(/C)c1ccc(O)c(CN(C)C)c1)c1ccc(O)c(CN(C)C)c1 ZINC000082150519 FI Annotated Clean CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2F)n1 ZINC000082150833 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2F)n1 ZINC000082150836 FI Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000082150994 FI Annotated Anodyne Cc1ccc(Cn2cnc(C(=O)N(C#N)CCCc3ccccc3)c2C)cc1 ZINC000082151296 FI Annotated Anodyne CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccccc2F)n1 ZINC000082152129 FI Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 ZINC000082152144 FI Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082152580 FI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082152583 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 ZINC000082152697 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 ZINC000082152700 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 ZINC000082152804 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2F)n1 ZINC000082152806 FI Annotated Anodyne Cc1ccnc(C(=O)c2[nH]c3ccc(C(C)(C)C)cc3c2CC(=O)O)c1 ZINC000082155105 FI Annotated Anodyne CC(C)=CCOc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)c(O)c1 ZINC000082155214 FI Annotated Mild O=c1c2cccc(Cl)c2[nH]c(=S)n1-c1ccccc1Br ZINC000082156196 FI Annotated Anodyne CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 ZINC000082156939 FI Annotated Anodyne C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@@H](c2ccc(OC)cc2)OC1 ZINC000082157857 FI Annotated Anodyne C=CC1=C(C(=O)Nc2ccc(OCC)cc2)[C@H](c2ccc(OC)cc2)OC1 ZINC000082157859 FI Annotated Anodyne O=C1CS[C@H](c2ccc(Br)cc2)c2c(ccc3[nH]ncc23)N1 ZINC000082158197 FI Annotated Anodyne O=C1CS[C@@H](c2ccc(Br)cc2)c2c(ccc3[nH]ncc23)N1 ZINC000082158198 FI Annotated Anodyne CCCS(=O)(=O)N(Cc1ccc2c(n1)C=CC(C)(C)O2)c1ccccc1 ZINC000082158438 FI Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F ZINC000082159883 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 ZINC000082160101 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 ZINC000082160102 FI Annotated Anodyne COc1cc(CNc2cc(-c3ccc(F)cc3F)ncn2)cc(OC)c1 ZINC000082160384 FI Annotated Anodyne CCOc1ccccc1CNc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082160415 FI Annotated Anodyne CCOc1ccccc1CNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 ZINC000082160420 FI Annotated Bother CCOc1ccccc1CNc1cc(-c2cc(OC)ccc2OC)ncn1 ZINC000082160976 FI Annotated Anodyne COc1ccc(OC)c(-c2cc(NCc3cc(F)cc(F)c3)ncn2)c1 ZINC000082161033 FI Annotated Anodyne CCN(CC)CCC[C@@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082161859 FI Annotated Anodyne CCN(CC)CCC[C@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082161861 FI Annotated Anodyne COc1ccccc1CCNc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000082162101 FI Annotated Bother COc1cccc([C@@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000082162198 FI Annotated Bother COc1cccc([C@H](C)Nc2cc(-c3cc(F)ccc3OC)ncn2)c1 ZINC000082162201 FI Annotated Anodyne COc1cccc([C@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000082162286 FI Annotated Bother COc1cccc([C@@H](C)Nc2cc(-c3cc(F)ccc3OC)ncn2)c1 ZINC000082162297 FI Annotated Anodyne COc1ccc([C@@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000082162301 FI Annotated Bother COc1ccc([C@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000082162314 FI Annotated Bother CCOc1cccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)c1 ZINC000082162322 FI Annotated Anodyne CCCCNc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163406 FI Annotated Bother Cc1cnc(-c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163434 FI Annotated Bother Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163511 FI Annotated Bother Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163643 FI Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163788 FI Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163789 FI Annotated Bother CCc1cnc(-c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163978 FI Annotated Bother CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163980 FI Annotated Bother CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164029 FI Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164111 FI Annotated Anodyne CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccc(F)cc2)s1 ZINC000082164118 FI Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 ZINC000082164120 FI Annotated Anodyne Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)o1 ZINC000082164667 FI Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2ccc(F)cc2)s1 ZINC000082165032 FI Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 ZINC000082165035 FI Annotated Anodyne CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccco2)n1 ZINC000082165259 FI Annotated Anodyne Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccco2)o1 ZINC000082165285 FI Annotated Anodyne COCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 ZINC000082165356 FI Annotated Anodyne Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccco2)o1 ZINC000082165640 FI Annotated Anodyne CCc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)s1 ZINC000082165678 FI Annotated Anodyne CCc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccco2)s1 ZINC000082165681 FI Annotated Anodyne Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)sc1C ZINC000082165685 FI Annotated Anodyne Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccco2)sc1C ZINC000082165688 FI Annotated Anodyne Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)oc1C ZINC000082165843 FI Annotated Anodyne Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)oc1C ZINC000082165845 FI Annotated Anodyne Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)oc1C ZINC000082165848 FI Annotated Anodyne Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)o1 ZINC000082166051 FI Annotated Anodyne Cc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccco2)o1 ZINC000082166070 FI Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccco2)o1 ZINC000082166183 FI Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2ccco2)n1 ZINC000082166222 FI Annotated Anodyne CCCCCc1nc(-c2cnc(NCCOC)nc2-c2ccco2)oc1C ZINC000082166288 FI Annotated Anodyne COCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 ZINC000082166292 FI Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 ZINC000082167428 FI Annotated Anodyne CCOc1ccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)cc1 ZINC000082167501 FI Annotated Anodyne Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173293 FI Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2cccc(C)c2)s1 ZINC000082173899 FI Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 ZINC000082173901 FI Annotated Anodyne Cc1cnc(-c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174088 FI Annotated Bother Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174246 FI Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174683 FI Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174685 FI Annotated Bother CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174928 FI Annotated Bother CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174931 FI Annotated Bother COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 ZINC000082175113 FI Annotated Anodyne CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccccc2F)s1 ZINC000082175119 FI Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 ZINC000082175122 FI Annotated Anodyne Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2F)oc1C ZINC000082175556 FI Annotated Anodyne Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2F)oc1C ZINC000082175559 FI Annotated Anodyne Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)o1 ZINC000082175815 FI Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2ccccc2F)s1 ZINC000082176107 FI Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 ZINC000082176109 FI Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 ZINC000082177152 FI Annotated Anodyne Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nc(C)c(C)s1 ZINC000082177418 FI Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2ccccc2C)s1 ZINC000082177695 FI Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 ZINC000082177696 FI Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1 ZINC000082177774 FI Annotated Anodyne CCCCCn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177844 FI Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177850 FI Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177851 FI Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CCN1CCCCC1 ZINC000082178157 FI Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CCc1ccccn1 ZINC000082178162 FI Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CC[C@@H]1CCCN1C ZINC000082178165 FI Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CC[C@H]1CCCN1C ZINC000082178166 FI Annotated Anodyne CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2CCc1ccccn1 ZINC000082178194 FI Annotated Anodyne COCCn1c(C2CCCCC2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178447 FI Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CCOC ZINC000082179377 FI Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 ZINC000082179985 FI Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 ZINC000082179986 FI Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21 ZINC000082180026 FI Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21 ZINC000082180027 FI Annotated Anodyne COCCn1c(-c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180099 FI Annotated Anodyne CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CCOC ZINC000082180495 FI Annotated Anodyne CC(C)c1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1 ZINC000082181806 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCOC ZINC000082186244 FI Annotated Anodyne CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082186273 FI Annotated Anodyne CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CC[C@H]1CCCN1C ZINC000082186274 FI Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 ZINC000082186398 FI Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 ZINC000082186400 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1 ZINC000082186614 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1 ZINC000082186617 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)C)n2CCN1CCCCC1 ZINC000082186644 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(C(C)C)n2CC[C@@H]1CCCN1C ZINC000082186808 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(C(C)C)n2CC[C@H]1CCCN1C ZINC000082186815 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(CCC)n2CCc1ccccn1 ZINC000082186847 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2C[C@@H]1CCCO1 ZINC000082186936 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2C[C@H]1CCCO1 ZINC000082186943 FI Annotated Anodyne COCCn1c(-c2ccsc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082190073 FI Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccccc2C)cs1)C(=O)NC(C)C ZINC000082191825 FI Annotated Anodyne Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)c(C)c1 ZINC000082191968 FI Annotated Anodyne CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082193747 FI Annotated Mild CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082193750 FI Annotated Mild CCCCCNc1ncnc2c1nc(CC(C)C)n2CCc1ccccn1 ZINC000082196862 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(C(C)C)n2CCc1ccccn1 ZINC000082196898 FI Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000082197835 FI Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 ZINC000082197837 FI Annotated Anodyne Cc1cnc(N2CCC[C@@H]2C)nc1NCc1cccc(C(F)(F)F)c1 ZINC000082202726 FI Annotated Anodyne Cc1cnc(N2CCC[C@H]2C)nc1NCc1cccc(C(F)(F)F)c1 ZINC000082202728 FI Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 ZINC000082214708 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 ZINC000082214721 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 ZINC000082214723 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 ZINC000082214724 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 ZINC000082214726 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 ZINC000082214739 FI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 ZINC000082214742 FI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 ZINC000082216533 FI Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2)n1 ZINC000082219587 FI Annotated Anodyne Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082221479 FI Annotated Bother CCCCCNc1ncnc2c1nc(CC(C)C)n2CC[C@@H]1CCCN1C ZINC000082222742 FI Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)C)n2CC[C@H]1CCCN1C ZINC000082222743 FI Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1O ZINC000082230169 FI Annotated Mild FC(F)(F)c1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000082230759 FI Annotated Anodyne FC(F)(F)c1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000082230760 FI Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1-c1ccccc1 ZINC000082231744 FI Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1-c1ccccc1 ZINC000082231745 FI Annotated Anodyne C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc12 ZINC000083921435 FI Annotated Anodyne in-vitro C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3C(C)(C)[C@@H](OCC(=O)C(N)=O)CC[C@@]23C)C1 ZINC000083923092 FI Annotated Mild in-vitro C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3C(C)(C)[C@@H](OCC(=O)C(N)=O)CC[C@@]23C)C1 ZINC000083923094 FI Annotated Mild in-vitro C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3C(C)(C)[C@@H](OCC(=O)C(N)=O)CC[C@@]23C)C1 ZINC000083923098 FI Annotated Mild in-vitro C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@@H](OCC(=O)C(N)=O)CC[C@@]23C)C1 ZINC000083923099 FI Annotated Mild in-vitro C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc12 ZINC000083923884 FI Annotated Anodyne in-vitro CC[n+]1c(C[C@@H]2C=C(C)N=C(c3ccccc3)N2C)ccc2ccccc21 ZINC000084415196 FI Annotated Anodyne CC[n+]1c(C[C@H]2C=C(C)N=C(c3ccccc3)N2C)ccc2ccccc21 ZINC000084415197 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000084462427 FI Annotated Anodyne Cc1cccc(C)c1/N=C(/O)[C@@H](C)/N=C(/O)C1=CC(C)(C)N([O])C1(C)C ZINC000084466456 FI Annotated Mild COc1cc(OC)cc(/C(=C/CCN(C)C)c2ccc(OC)c(OC)c2)c1 ZINC000084538219 FI Annotated Anodyne Cc1n[nH]c(=O)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 ZINC000084587494 FI Annotated Anodyne N#Cc1c(N2CCOCC2)sc(-c2cc[nH]n2)c1-c1ccc(Cl)cc1 ZINC000084596325 FI Annotated Mild O=C(C[C@@H](SC(=S)N1CCOCC1)c1ccccc1)c1ccccc1 ZINC000084596792 FI Annotated Anodyne O=C(C[C@H](SC(=S)N1CCOCC1)c1ccccc1)c1ccccc1 ZINC000084596793 FI Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(-n3ccnc3)cc2)n1-c1ccc(O)cc1 ZINC000084602094 FI Annotated Clean CN(C)C(=O)[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(C)O1 ZINC000084602321 FI Annotated Bother CN(C)C(=O)[C@@H]1CON(C)[C@H]1c1ccc2ccc3cccc4ccc1c2c34 ZINC000084602697 FI Annotated Bother Cc1nc2cc(C(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1 ZINC000084602843 FI Annotated Anodyne Cc1c(-c2ccc(Br)cc2)nsc1NC(=O)[C@@H]1C[C@H]1C ZINC000084603002 FI Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3ccncc3c2)c1F ZINC000084603597 FI Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(O)cc1 ZINC000084604030 FI Annotated Clean CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1 ZINC000084604306 FI Annotated Anodyne CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccnc2)s1 ZINC000084604572 FI Annotated Anodyne C[C@H](N[C@@H](CC(=O)c1ccccc1C(F)(F)F)C(=O)O)c1ccccc1 ZINC000084604763 FI Annotated Anodyne C[C@H](N[C@H](CC(=O)c1ccccc1C(F)(F)F)C(=O)O)c1ccccc1 ZINC000084604765 FI Annotated Anodyne Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CNCc1ccco1 ZINC000084604834 FI Annotated Clean CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cccnc2)s1 ZINC000084605255 FI Annotated Anodyne CN(C)C(=O)[C@@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(C)O1 ZINC000084614850 FI Annotated Bother O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1c(F)cccc1F ZINC000084615699 FI Annotated Anodyne CCOc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1 ZINC000084617129 FI Annotated Anodyne CCC[C@@]1(O)CCC2=C(C1)C(=O)c1cc3cccc(OC)c3cc1C2=O ZINC000084617162 FI Annotated Mild CC(=O)Nc1cccc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)c1 ZINC000084617797 FI Annotated Anodyne O=C(/C(=C/c1ccccc1O)C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000084618614 FI Annotated Mild O=C(/C(=C/c1ccc(O)cc1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000084618616 FI Annotated Mild CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC/C=C(\C)C/C=C/C(C)(C)O ZINC000084618934 FI Annotated Anodyne C=C(C)[C@@H](O)CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@H](C)CC ZINC000084618936 FI Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@@H](C)CC ZINC000084618938 FI Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@H](C)CC ZINC000084618940 FI Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@@H](C)CC ZINC000084618941 FI Annotated Mild N#Cc1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2[nH]c1=O ZINC000084619364 FI Annotated Mild N#Cc1c(N2CCOCC2)sc(-c2cn[nH]c2)c1-c1ccc(Cl)cc1 ZINC000084635387 FI Annotated Mild CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1C ZINC000084652475 FI Annotated Clean COC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1C ZINC000084652476 FI Annotated Clean COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c2ccccc12 ZINC000084652770 FI Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c2ccccc12 ZINC000084652771 FI Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c2ccccc12 ZINC000084652774 FI Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)c2ccccc12 ZINC000084652775 FI Annotated Reactive CCN1[C@@H](C(=O)OC)C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]21 ZINC000084652919 FI Annotated Clean O=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccccc12 ZINC000084653379 FI Annotated Anodyne CC(=O)N1CCC[C@@]1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1 ZINC000084653461 FI Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1 ZINC000084653462 FI Annotated Anodyne CCC(=O)Nc1ccc(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 ZINC000084654225 FI Annotated Clean CN(C)c1ccc(/C=C(\C#N)c2ccccc2I)cc1 ZINC000084655549 FI Annotated Reactive Cc1ccc(C)c(Cn2c(Sc3cccc(Cl)c3)cc(=O)[nH]c2=O)c1 ZINC000084668948 FI Annotated Anodyne O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 ZINC000084669081 FI Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000084669082 FI Annotated Anodyne Cc1nc2c(S(=O)(=O)c3ccccc3)c(N)c3cc(F)ccc3c2s1 ZINC000084669930 FI Annotated Anodyne Cc1cc(Oc2ccc(-c3ccn(CC4CC4)c(=O)c3C#N)cc2)ccn1 ZINC000084669941 FI Annotated Mild CC1(C)CC(=O)C(C(=S)SCCO)=C(Nc2ccc(Cl)cc2)C1 ZINC000084670169 FI Annotated Mild CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)OC(C)(C)C=C2 ZINC000084670724 FI Annotated Anodyne Fc1ccc(F)c(-c2noc(C[C@@H]3CCN(Cc4ccsc4)C3)n2)c1 ZINC000084671743 FI Annotated Anodyne Fc1ccc(F)c(-c2noc(C[C@H]3CCN(Cc4ccsc4)C3)n2)c1 ZINC000084671744 FI 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(=O)C4=O ZINC000084671973 FI Annotated Clean O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C1CC1 ZINC000084672255 FI Annotated Anodyne Cc1cc(=O)oc2c1c(OCCCN(C)C)cc1oc3c(c12)CCCC3 ZINC000084672437 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000084687131 FI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000084687132 FI Annotated Anodyne Cc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000084687362 FI Annotated Bother COc1ccc(SC[C@@H](O)Cn2c(C)c(C)c3ccccc32)c(OC)c1 ZINC000084687482 FI Annotated Anodyne COc1ccc(SC[C@H](O)Cn2c(C)c(C)c3ccccc32)c(OC)c1 ZINC000084687483 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)C(=O)CO3)CC1 ZINC000084687565 FI Annotated Anodyne O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2sccc2c1Cl ZINC000084687623 FI Annotated Anodyne O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2ccsc2c1Cl ZINC000084687624 FI Annotated Anodyne CC1=Nc2ccccc2CN1C[C@H](O)c1cc(Br)cs1 ZINC000084688273 FI Annotated Anodyne CC1=Nc2ccccc2CN1C[C@@H](O)c1cc(Br)cs1 ZINC000084688274 FI Annotated Anodyne O=C(Nc1ccc2sc(CO)nc2c1)C1CCC(C(F)(F)F)CC1 ZINC000084688325 FI Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](C/C=C/C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000084688547 FI Annotated Anodyne COc1ccc(C)c2sc(NS(=O)(=O)c3ccc4occc4c3)nc12 ZINC000084688775 FI Annotated Anodyne COc1cccc(C2=N[C@H](c3cccnc3)N[C@H](c3ccccc3O)C2)c1 ZINC000084689028 FI Annotated Clean COc1cccc(C2=N[C@@H](c3cccnc3)N[C@H](c3ccccc3O)C2)c1 ZINC000084689029 FI Annotated Clean COc1cccc(C2=N[C@H](c3cccnc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000084689032 FI Annotated Clean COc1cccc(C2=N[C@@H](c3cccnc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000084689034 FI Annotated Clean COc1ccc(OC)c(CN(C(=O)CF)c2cccc3cc(C)oc23)c1 ZINC000084689776 FI Annotated Anodyne CC1(C)NCCn2c1nc(-c1ccc(F)cc1)c2Nc1ccc(F)cc1 ZINC000084690176 FI Annotated Anodyne O=C1O/C(=C/Br)CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000084690335 FI Annotated Anodyne Cc1cc(NC(=S)NC(=O)c2c(F)cccc2F)c(C(C)C)cc1O ZINC000084704015 FI Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)c1sc(N/C=N\O)nc1-2 ZINC000084704051 FI Annotated Mild COc1ccc2c(c1)O[C@@H](c1ccccc1)c1sc(N/C=N\O)nc1-2 ZINC000084704054 FI Annotated Mild CSc1ccc(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)cc1 ZINC000084704174 FI Annotated Mild O=C1C(O)=C(Nc2ccc(-c3ccc(O)cc3)cc2)C(=O)c2ccccc21 ZINC000084704338 FI Annotated Mild Cc1c(C(=O)O)sc2c(Br)c(Br)sc12 ZINC000084704757 FI Annotated Anodyne NC1(c2ccc(-c3nc4ccccc4c(=O)n3-c3ccccc3)cc2)CCC1 ZINC000084705538 FI Annotated Anodyne NC1(c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)CCC1 ZINC000084705541 FI Annotated Anodyne CCc1cccc2ccn(C[C@H](O)CSc3ccc(OC)cc3OC)c12 ZINC000084706241 FI Annotated Anodyne CCc1cccc2ccn(C[C@@H](O)CSc3ccc(OC)cc3OC)c12 ZINC000084706244 FI Annotated Anodyne CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2c(F)cccc12 ZINC000084707869 FI Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2c(F)cccc12 ZINC000084707872 FI Annotated Reactive Fc1ccc(COc2nc3c(Cl)ccc(Cl)c3n3cnnc23)cc1 ZINC000084709827 FI Annotated Anodyne Cc1cccc(COc2nc3c(Cl)ccc(Cl)c3n3cnnc23)c1 ZINC000084709830 FI Annotated Anodyne C=C1CC[C@]2(N=C=O)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H](CC(C)(C)NC=O)[C@H]1[C@H]32 ZINC000084711241 FI Annotated Reactive COc1ccc(Nc2nnc(-c3c[nH]c4cc(OC)ccc34)s2)cc1 ZINC000084712795 FI Annotated Anodyne O=C(c1ccc(O)cc1)c1nccc2c1[nH]c1ccc(Br)cc12 ZINC000084712982 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)OCC3=O)CC1 ZINC000084713034 FI Annotated Anodyne Cc1nc2c(S(=O)(=O)c3ccccc3)c(N)c3ccccc3c2s1 ZINC000084713055 FI Annotated Anodyne Cc1noc(C(C)C)c1C(=O)N[C@@H]1C(=O)c2ccc(Cl)cc2CC1(C)C ZINC000084714844 FI Annotated Anodyne Cc1noc(C(C)C)c1C(=O)N[C@H]1C(=O)c2ccc(Cl)cc2CC1(C)C ZINC000084714847 FI Annotated Anodyne COc1cccc2[nH]cc([C@H](C#N)c3ccc(OC)c4c(CC#N)c[nH]c34)c12 ZINC000084724735 FI Annotated Mild C/C(=N\Nc1cc(C)nc2cc3c(cc12)OCO3)c1ccc([N+](=O)[O-])cc1 ZINC000084725405 FI Annotated Mild Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(=O)NC3(C)C)cc1 ZINC000084728292 FI Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccc(F)cc3)c(=O)oc12 ZINC000084730160 FI Annotated Anodyne Cc1c(C(=O)O)sc2cc(Br)c(O)c(Br)c12 ZINC000084739289 FI Annotated Anodyne COc1ccc([C@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1OC ZINC000084758428 FI Annotated Anodyne COc1ccc([C@@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1OC ZINC000084758429 FI Annotated Anodyne Cc1ccc(S(=O)(=O)c2c(N)c3ccccc3c3sc(C)nc23)cc1 ZINC000084758668 FI Annotated Anodyne CC(=O)NCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000084759284 FI Annotated Clean CCCCN(CCCC)CCn1cnc2c3cc(OC)ccc3nc-2c1O ZINC000008586406 FI Annotated Anodyne aggregator CC1(C)CC(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)c(=O)[nH]c2C1 ZINC000008592532 FI Annotated Anodyne C=Cc1ccc(Cn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)cc1 ZINC000008605761 FI Annotated Anodyne CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1 ZINC000008607524 FI Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000008608362 FI Annotated Anodyne O=C(Nc1ccccc1F)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000008619090 FI Annotated Anodyne O=C(Nc1ccccc1F)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000008619091 FI Annotated Anodyne CCCn1nc2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc2c1OCC ZINC000008628408 FI Annotated Anodyne CCCn1nc2cc(C(=O)N[C@H]3CCc4ccccc43)ccc2c1OCC ZINC000008628409 FI Annotated Anodyne O=[N+]([O-])c1cccc(C=NNc2cc(Cl)nc(-c3ccccc3)n2)c1 ZINC000008666826 FI Annotated Anodyne aggregator Cc1ccc([C@H]2c3c(O)nc(S)nc3N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 ZINC000008670254 FI Annotated Anodyne Cc1cc2nc(CCN(C(=S)NCC(C)C)C3CCCC3)[nH]c2cc1C ZINC000008672240 FI Annotated Anodyne Fc1ccc(NC(=S)N/N=C/c2cccc(Br)c2)c(F)c1 ZINC000008680895 FI Annotated Mild C[C@@H]1C[C@@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 ZINC000008682281 FI Annotated Anodyne C[C@@H]1C[C@](C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2 ZINC000008682282 FI Annotated Anodyne Cc1nn(CCC(N)=S)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008686123 FI Annotated Anodyne CCN(Cc1ccccc1)c1ccc(/C=N/N=C(/S)NC(C)C)cc1 ZINC000008687466 FI Annotated Mild CC[C@]1(C)Cc2nc3nc(=S)n(-c4ccccc4)c(O)c3cc2CO1 ZINC000008691077 FI Annotated Anodyne aggregator CC[C@@]1(C)Cc2nc3nc(=S)n(-c4ccccc4)c(O)c3cc2CO1 ZINC000008691078 FI Annotated Anodyne aggregator CCCN(C[C@@H]1COc2ccccc2O1)C(=S)Nc1ccc(C)cc1 ZINC000008694047 FI Annotated Anodyne CCCN(C[C@H]1COc2ccccc2O1)C(=S)Nc1ccc(C)cc1 ZINC000008694048 FI Annotated Anodyne Cc1ccc([C@@H]2c3c(O)nc(S)nc3N=C3CC(C)(C)CC(=O)[C@H]32)cc1 ZINC000008762834 FI Annotated Anodyne CCCn1nc2cc(C(=O)NCCc3ccc(C)cc3)ccc2c1OCC ZINC000008762958 FI Annotated Anodyne Cc1ccc(C)c(-n2nc3c4c(ccc3c2O)C(=O)c2ccccc2C4=O)c1 ZINC000008829206 FI Annotated Clean CCCCCCCC1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO1 ZINC000008860397 FI Annotated Mild CCCCCCCC1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CO1 ZINC000008860398 FI Annotated Mild NCCC1=C[C@@H](CCCCCCCC/C=C/[C@H](CO)CC(=O)O)CC1 ZINC000085489219 FI Annotated Anodyne in-vitro biogenic CNC/C(=C\CCC(=O)O)CCCCCCCC[C@@H]1C=C(CO)CC1 ZINC000085489274 FI Annotated Anodyne in-vitro biogenic CC[C@H](CCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1)OC ZINC000085510778 FI Annotated Anodyne in-vitro biogenic C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(=O)O ZINC000085530897 FI Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@@H](Cc5ccc(N)nc5)C4)(C[C@H](N)[C@@H]31)O2 ZINC000085543286 FI Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(CC[C@@H]1CC[C@H](CNC)C1)[C@H](N)C=O ZINC000085544930 FI Annotated Mild in-vitro biogenic C=C1[C@H]2CC[C@](C(=O)CCc3cccc(CCCO)c3)([C@H]2OC)C1(C)C ZINC000085546480 FI Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CCC[C@H]3CNC3CCCC3)[C@@H]1[C@H](O)C2 ZINC000085547587 FI Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C[C@]2(C[C@H]1CO)C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2 ZINC000085547591 FI Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C(C(=O)O)CC[C@@]31[C@]2(C)CNC(=N)NC1CCCCC1 ZINC000085549124 FI Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@@H](OC(=O)/C=C\C=C\[C@H]3O[C@@H]3C)[C@]1(C)[C@@]1(C)CCC(C)=C[C@H]1O2 ZINC000085549143 FI Annotated Mild CC1(C)[C@@H]2CC[C@@H](C3CCCC3)[C@]13CC(=O)C(CCCCN=C(N)N)=C3C2 ZINC000085549662 FI Annotated Mild in-vitro biogenic CC1=C2C[C@H]3C[C@H](CO)[C@@H](C)[C@]2(CC1=O)[C@@]3(C)CCc1ccc(O)cc1 ZINC000085549682 FI Annotated Mild in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592754 FI Annotated Clean in-vitro biogenic CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1CCc1ccccc1 ZINC000085597506 FI Annotated Anodyne in-vitro biogenic C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(OC)c(=O)c2[C@H]2[C@H](C)CCC[C@H]21 ZINC000085598819 FI Annotated Anodyne CC[C@@H](C)/C=C(\C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(=O)C(OC)=C3 ZINC000085599746 FI Annotated Mild O=C(/C=C/[C@H]1CCC=C[C@@H]1CO)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085625173 FI Annotated Mild in-vitro biogenic C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC=C3COC(=O)[C@H]3[C@]2(C)C[C@@H](O)[C@@H]1Cl ZINC000085639217 FI Annotated Reactive C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC=C3CO[C@@H](O)[C@H]3[C@]2(C)C[C@@H](O)[C@@H]1Cl ZINC000085639223 FI Annotated Reactive C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC=C(C=O)[C@@H](C=O)[C@]2(C)C[C@@H](O)[C@@H]1Cl ZINC000085639226 FI Annotated Reactive CCCCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CCCCCC(=O)O1 ZINC000085641185 FI Annotated Anodyne CCCCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCC(=O)O1 ZINC000085641192 FI Annotated Anodyne CC(C)=CC[C@H](OC(=O)C=C(C)C)c1coc(C2=CC(=O)C=CC2=O)c1 ZINC000085663137 FI Annotated Mild COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)OC)[C@@]2(C)CCc1ccoc1 ZINC000085669381 FI Annotated Anodyne CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1C=CC=C2C(=O)O ZINC000085692951 FI Annotated Anodyne COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=C[C@H](O)[C@@H]1C(C)(C)CCC[C@@]12C ZINC000085694490 FI Annotated Anodyne CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000085694595 FI Annotated Anodyne CC(=O)OC/C(=C/CO)[C@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 ZINC000085698548 FI Annotated Anodyne C/C(=C\CC[C@H]1C(=O)O[C@@H]2O[C@@H]21)C[C@@H](O)C[C@@H](C)CCCc1ccoc1 ZINC000085768538 FI Annotated Anodyne C/C(=C\CCc1ccoc1)C[C@@H](O)C[C@@H](C)CCC[C@H]1C(=O)O[C@@H]2O[C@@H]21 ZINC000085768551 FI Annotated Anodyne C/C(=C\CCc1ccoc1)C[C@@H](O)C[C@@H](C)CCC[C@@]12CC(=O)O[C@@H]1O2 ZINC000085768565 FI Annotated Anodyne COC1=C(C(=O)C(C)C)C(=O)C(C/C=C(\C)CCC=C(C)C)=C(O)C1=O ZINC000085830559 FI Annotated Mild C[C@@](O)(/C=C/Cl)[C@H](Cl)/C=C/[C@@](Cl)(CCl)CBr ZINC000085856526 FI Annotated Reactive C[C@](O)(/C=C/Cl)[C@H](Cl)/C=C/[C@@](Cl)(CCl)CBr ZINC000085856530 FI Annotated Reactive Cc1cc(O)c2c(c1)O[C@@](C)(CC[C@H]1C(C)(C)CCC[C@]1(O)CO)C=C2 ZINC000085884639 FI Annotated Anodyne COC1=CC(=O)C2=C(C[C@]3(C)[C@@H](C)CC[C@@H]4C(C)(C)CCC[C@]43O2)C1=O ZINC000085886627 FI Annotated Mild CC(=O)O[C@@H]1C/C(C)=C/C/C=C(/C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C ZINC000085888001 FI Annotated Anodyne COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1/C=C/C(C)(C)OO ZINC000085907520 FI Annotated Reactive CC(=O)O[C@@H]1CC(=O)[C@H]([C@H]2C(C=O)=CC[C@H]2/C(C)=C\CC=C(C)C)[C@@H]1C ZINC000085908445 FI Annotated Reactive CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@]45CC[C@H]32)C1 ZINC000085908608 FI Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC1=C(O)C(=O)C(CO)=CC1=O ZINC000085918715 FI Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)C(CO)=CC1=O ZINC000085918717 FI Annotated Mild COC1=CC(=O)C2=C(C[C@@]3(O2)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]23C)C1=O ZINC000085931225 FI Annotated Mild C=C1CCC[C@@]23OC4=C(C[C@]2(C)[C@@H](C)CC[C@]13C)C(=O)C(OC)=CC4=O ZINC000085932756 FI Annotated Mild C=C1CCC[C@@]23OC4=C(C[C@]2(C)[C@H](C)CC[C@@]13C)C(=O)C(OC)=CC4=O ZINC000085932760 FI Annotated Mild CC/C=C/C/C=C\C[C@@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O ZINC000085950254 FI Annotated Anodyne CCCCCC(=O)c1cc2c3c([nH]c2cc1OC)[C@@H](C)N(C(C)=O)CC3 ZINC000085950865 FI Annotated Anodyne COC(=O)[C@@H]1C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@H]1C3 ZINC000085956521 FI Annotated Anodyne in-man COC(=O)[C@@H]1C[C@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000085956524 FI Annotated Anodyne in-man COC(=O)[C@@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000085956527 FI Annotated Anodyne in-man COC(=O)[C@@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000085956529 FI Annotated Anodyne in-man endogenous CO[C@H]1CCC2=C(C[C@@H]3C([C@H](C)CC/C=C(\C)CO)=CC[C@]3(C)O2)C1=O ZINC000085976403 FI Annotated Mild COc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1 ZINC000085996401 FI Annotated Anodyne in-man COc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1 ZINC000085996404 FI Annotated Anodyne in-man metabolite CC1(C)C=Cc2c(cc3oc4oc5cc(O)ccc5c4c(=O)c3c2O)O1 ZINC000085999600 FI Annotated Bother C=C(C(=O)CC)[C@H]1C(C)=C[C@@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C ZINC000086001552 FI Annotated Mild O=C1O[C@@H](Cc2ccccc2)/C(=C/c2ccccc2)[C@@]1(O)Cc1ccccc1 ZINC000086023842 FI Annotated Anodyne CCOP(=O)(/C=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)OCC ZINC000089157400 FI Annotated Anodyne CCOP(=O)(CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)OCC ZINC000089157402 FI Annotated Anodyne Brc1cccnc1OCC1=CCN(Cc2ccccc2)CC1 ZINC000089157619 FI Annotated Anodyne CC(C)(C)N1C(=O)[C@@H](c2cccc(Br)c2)N(C(C)(C)C)C1=O ZINC000089202774 FI Annotated Anodyne CC(C)(C)N1C(=O)[C@H](c2cccc(Br)c2)N(C(C)(C)C)C1=O ZINC000089202777 FI Annotated Anodyne Cc1cc(C)cc(CN2CCc3cccc(CNC4=NCCS4)c32)c1 ZINC000089210122 FI Annotated Anodyne c1ccc2c(c1)CCN2C1=N/C(=[N+]2/CCc3ccccc32)c2ccccc21 ZINC000089210463 FI Annotated Anodyne c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cnnn2)cc1 ZINC000089469069 FI Annotated Anodyne c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cnnn2)cc1 ZINC000089469072 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(F)cc1Cl ZINC000089919346 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(F)cc1Cl ZINC000089919347 FI Annotated Anodyne CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000009223162 FI Annotated Anodyne O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)[C@H]12 ZINC000009348912 FI Annotated Anodyne CN(Cc1ccccc1)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000009635984 FI Annotated Anodyne CC[C@H]1CCCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000009698138 FI Annotated Anodyne c1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)on2)cc1 ZINC000095378908 FI Annotated Anodyne C=CCC[C@]1(C)C=Cc2c(cc(O)c3oc4cccc(O)c4c(=O)c23)O1 ZINC000095485914 FI Annotated Mild in-vitro biogenic COc1cc2c(cc1OC)[C@@H]1C(=O)c3cc4ccoc4cc3O[C@H]1CC2 ZINC000095486012 FI Annotated Anodyne in-vitro biogenic COc1cc(C)cc2c(-c3ccc4c(c3)[C@](C)(O)N[C@H](C)C4)ccc(O)c12 ZINC000095486204 FI Annotated Anodyne in-vitro biogenic COc1cc(O)c(-c2ccc3c(c2O)[C@@H](C)N[C@H](C)C3)c2cccc(O)c12 ZINC000095486316 FI Annotated Clean in-vitro biogenic CC(C)Cc1ccc([C@@H](C)/C=C2\CC[C@H](CN3CCOCC3)C2=O)cc1 ZINC000095550577 FI Annotated Mild Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 ZINC000095552077 FI Annotated Anodyne Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccccc1Cl ZINC000095552199 FI Annotated Mild CCCc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 ZINC000095553033 FI Annotated Anodyne CSc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 ZINC000095553036 FI Annotated Anodyne C=CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095554585 FI Annotated Mild CCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1 ZINC000095554763 FI Annotated Anodyne COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1OCc1ccccc1 ZINC000095555463 FI Annotated Anodyne Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc(Cl)cc1 ZINC000095556111 FI Annotated Mild Cc1cccnc1Nc1nc(-c2cccc(C#N)c2)c(-n2ccnc2)s1 ZINC000095556211 FI Annotated Mild Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccccc3)C[C@@H]1O2 ZINC000095556340 FI Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccccc3)C[C@@H]1O2 ZINC000095556341 FI Annotated Anodyne CCOc1ccc(/C=C2\C(=O)N(c3ccccc3F)N=C2C)cc1OC ZINC000095557735 FI Annotated Clean COC(=O)/C(=C/c1ccc(Cl)cc1)CS/C(N)=N\c1ccccc1 ZINC000095558305 FI Annotated Mild Cc1ccc(-c2c(C)nn3c(NCCN(C)C)cc(C(C)C)nc23)cc1 ZINC000095558567 FI Annotated Anodyne O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccccc1 ZINC000095559442 FI Annotated Anodyne CCCCc1cc2c(c(O)c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)C2 ZINC000095559515 FI Annotated Clean O=C1c2cc(Cl)ccc2N(CC2CC2)C(=O)CN1CC1CCCCC1 ZINC000095559726 FI Annotated Anodyne O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)c1c[nH]cc1-c1ccccc1 ZINC000095560018 FI Annotated Anodyne COc1cc2ccc3c4ccc(OC)c(OC)c4c[n+](C)c3c2cc1OC ZINC000095560139 FI Annotated Bother C#Cc1cccc(N(C)c2nc(Cl)nc3cc(OC)c(OC)cc23)c1 ZINC000095560448 FI Annotated Mild O=C(Nc1cc(F)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000095560559 FI Annotated Anodyne O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccc1F ZINC000095560599 FI Annotated Anodyne COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3C)c2=O)cc1 ZINC000095560640 FI Annotated Anodyne Cc1cnc2c(Cc3ccc(F)cc3)c(NC(=O)CC3CCCC3)nn2c1 ZINC000095561229 FI Annotated Anodyne Cc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1 ZINC000095561265 FI Annotated Anodyne COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000095561497 FI Annotated Anodyne Cc1cccc(C)c1-c1cnnc(NCc2cc(-c3ccccc3)[nH]n2)n1 ZINC000095562418 FI Annotated Anodyne CCc1cccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)c1 ZINC000095562640 FI Annotated Anodyne COc1ccc(-c2nn3c(NCc4cccnc4)cc(C)nc3c2C)cc1 ZINC000095562880 FI Annotated Anodyne CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)NCC1CC1)C(C)(C)CC2 ZINC000095562946 FI Annotated Anodyne Cc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccccc3)[nH]n2)n1 ZINC000095563576 FI Annotated Mild Cc1ccccc1NC(=O)CSc1nncnc1-c1ccccc1Cl ZINC000095563853 FI Annotated Anodyne C[C@H]1OCc2sc(NC(=O)CC(C)(C)C)c(C(=O)N3CCCCC3)c21 ZINC000095563990 FI Annotated Anodyne C[C@@H]1OCc2sc(NC(=O)CC(C)(C)C)c(C(=O)N3CCCCC3)c21 ZINC000095563991 FI Annotated Anodyne Cc1nc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3[nH]ncc23)cs1 ZINC000095564466 FI Annotated Anodyne Cc1ccnc(NC(=S)N2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000095564916 FI Annotated Anodyne Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000095565309 FI Annotated Anodyne Oc1cc2c(cc1O)[C@H]1C[C@@H](c3ccc(C(F)(F)F)cc3)CN[C@@H]1CC2 ZINC000095565820 FI Annotated Clean CC1CCC(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1 ZINC000095566720 FI Annotated Anodyne O=C(c1ccccc1)n1c2ccccc2c(=O)n1-c1ccccc1CCl ZINC000095567175 FI Annotated Reactive CC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 ZINC000095567281 FI Annotated Anodyne CC[C@H](c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 ZINC000095567282 FI Annotated Anodyne Cc1ccnc(NC(=S)N2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000095567535 FI Annotated Anodyne Oc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)O[C@H](CCc1ccccc1)C2 ZINC000095568076 FI Annotated Anodyne COc1cccc(-c2oc3c(c2C#CC2(N)CCCCC2)[C@@H](O)CCC3)c1 ZINC000095568241 FI Annotated Mild COc1cccc(-c2oc3c(c2C#CC2(N)CCCCC2)[C@H](O)CCC3)c1 ZINC000095568242 FI Annotated Mild O=c1[nH]c(=S)[nH]c2c1[C@H](CCc1cccc(Cl)c1)O[C@H](C1CC1)C2 ZINC000095568461 FI Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@@H](C3CC3)O[C@H]2CCc2cccc(Cl)c2)O1 ZINC000095569281 FI Annotated Anodyne N#Cc1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br ZINC000095569691 FI Annotated Mild O=C1COc2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1Cc1ccccc1 ZINC000095569789 FI Annotated Anodyne O=C1COc2ccccc2[C@H](c2nc3ccccc3[nH]2)N1Cc1ccccc1 ZINC000095569790 FI Annotated Anodyne Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(CC(C)C)nc2n1 ZINC000095570087 FI Annotated Anodyne COc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)[C@@H](O)CCC3)c1 ZINC000095570749 FI Annotated Anodyne COc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)[C@H](O)CCC3)c1 ZINC000095570750 FI Annotated Anodyne Brc1ccc([C@H]2C=C[C@H]3CCCN4CC[C@H]2[C@@H]3[C@]42CO2)cc1 ZINC000095571445 FI Annotated Anodyne COc1cc(NC(=O)[C@@H](C)c2cccc(F)n2)ccc1-c1ccnc(C)c1 ZINC000095572497 FI Annotated Anodyne COc1cc(NC(=O)[C@H](C)c2cccc(F)n2)ccc1-c1ccnc(C)c1 ZINC000095572498 FI Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095572617 FI Annotated Bother C[C@H]1CCC[C@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095572618 FI Annotated Bother C[C@@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095572619 FI Annotated Bother Cc1ccc(C(=O)N(C)c2nc(-c3cc(NC(C)C)ncn3)cs2)cc1 ZINC000095572857 FI Annotated Anodyne Brc1ccc(CSc2nnc(-c3cnccn3)s2)cc1 ZINC000095574315 FI Annotated Anodyne Brc1cccc(CSc2nnc(-c3cnccn3)s2)c1 ZINC000095574878 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc1oc(=O)[nH]c3cccc2c31 ZINC000095575407 FI Annotated Reactive CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)[C@@H](O)C2 ZINC000095575466 FI Annotated Anodyne CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)[C@@H](O)C2 ZINC000095575467 FI Annotated Anodyne O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccs1 ZINC000095575592 FI Annotated Anodyne CC[C@H]1S/C(=N/N=C(\C)COc2ccccc2)N(c2ccccc2)C1=O ZINC000095575768 FI Annotated Mild CC[C@@H]1S/C(=N/N=C(\C)COc2ccccc2)N(c2ccccc2)C1=O ZINC000095575769 FI Annotated Mild Cc1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 ZINC000095575900 FI Annotated Clean CCN(CC)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23 ZINC000095576647 FI Annotated Bother Fc1ccc(-c2csc(N/N=C\c3ccc4c(c3)OCO4)n2)c(F)c1 ZINC000095577149 FI Annotated Mild O=c1c(N2CCCC2)cc2nc(-c3ccccc3)nn3c4ccccc4c1c23 ZINC000095577159 FI Annotated Bother CCc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)C(C(=O)O)C(=O)O)cc1 ZINC000095577414 FI Annotated Anodyne CCc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)C(C(=O)O)C(=O)O)cc1 ZINC000095577415 FI Annotated Anodyne CCN(CC)CCCCNc1nc(C)c(OCc2ccccc2)c(C)n1 ZINC000095577520 FI Annotated Anodyne Cc1ncc(CO)c2c(Nc3ccccn3)c(NCc3ccccc3)oc12 ZINC000095578800 FI Annotated Anodyne C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 ZINC000095578929 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc1oc(=O)[nH]c3cccc2c31 ZINC000095578934 FI Annotated Reactive C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1 ZINC000095579363 FI Annotated Anodyne CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 ZINC000095579430 FI Annotated Anodyne O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccsc1 ZINC000095580149 FI Annotated Anodyne CC(C)CCN1Cc2cc(/C=C/CCO)ccc2N[C@@H](CC(C)C)C1=O ZINC000095581264 FI Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)N1CCN(CC2CCCCC2)CC1 ZINC000095581437 FI Annotated Reactive O=C(CCCC[C@H]1CCSS1)N1CCN(CC2CCCCC2)CC1 ZINC000095581438 FI Annotated Reactive CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccccc2O)o1 ZINC000095582101 FI Annotated Reactive CC(=O)c1ccc([C@H](O)C(F)(F)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095582312 FI Annotated Anodyne CC(=O)c1ccc([C@@H](O)C(F)(F)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095582313 FI Annotated Anodyne Cc1cc(-c2ccc(C#N)cc2)c(OCCO)c(-c2ccc(C#N)cc2)c1 ZINC000095582919 FI Annotated Mild CNc1c2ccc(I)cc2nc2ccc(OC)cc12 ZINC000095583120 FI Annotated Clean C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccccc3)o2)C1 ZINC000095583199 FI Annotated Reactive CN(Cc1cc(=O)n(Cc2ccccc2)[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000095583209 FI Annotated Anodyne CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccc(O)cc2)o1 ZINC000095583441 FI Annotated Reactive O=C(CCCC[C@@H]1CCSS1)N1CCN(C2CCCCC2)CC1 ZINC000095583993 FI Annotated Reactive O=C(CCCC[C@H]1CCSS1)N1CCN(C2CCCCC2)CC1 ZINC000095583994 FI Annotated Reactive C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000095584072 FI Annotated Reactive C[C@H](SC1=NS(=O)(=O)c2cccc(Cl)c2N1)c1ccccc1 ZINC000095584997 FI Annotated Anodyne C[C@@H](SC1=NS(=O)(=O)c2cccc(Cl)c2N1)c1ccccc1 ZINC000095584998 FI Annotated Anodyne Cc1cccc(-n2nnc(CCC(C)C)c2-c2ccc3nccnc3c2)n1 ZINC000095585104 FI Annotated Anodyne C=C(c1ccc2c(c1)c(C=O)cn2C)c1ccc(OC)c(OC)c1OC ZINC000095585473 FI Annotated Anodyne C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000095585626 FI Annotated Reactive CC(C)CCN1Cc2cc(CCCCO)ccc2N[C@@H](CC(C)C)C1=O ZINC000095585689 FI Annotated Anodyne CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2cccc(O)c2)o1 ZINC000095585791 FI Annotated Reactive O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccc(Br)cc1)(C3)C2)NO ZINC000095586017 FI Annotated Bother Cc1nc(-c2cccnc2)sc1C1=NN[C@H](c2ccc(F)cc2F)C1 ZINC000095586155 FI Annotated Anodyne Cc1nc(-c2cccnc2)sc1C1=NN[C@@H](c2ccc(F)cc2F)C1 ZINC000095586156 FI Annotated Anodyne Cc1ccccc1N(C)C(=O)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000095586888 FI Annotated Anodyne COc1cccc2c1C(=O)c1c(OC)cc(/C=N/c3ccccc3)cc1C2=O ZINC000095587031 FI Annotated Mild COc1cc(NC(=O)/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1 ZINC000095587134 FI Annotated Mild Clc1cccc(COc2ccccc2/C=N/O[C@@H]2CN3CCC2CC3)c1 ZINC000095587148 FI Annotated Mild Clc1cccc(COc2ccccc2/C=N/O[C@H]2CN3CCC2CC3)c1 ZINC000095587149 FI Annotated Mild CC1(C)CCc2cc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(O)cc2O1 ZINC000095587187 FI Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@](C)(O)CC(=O)/C=C(/C)CCCC(C)=O ZINC000095587237 FI Annotated Mild COc1c(C)cc(O)cc1/C=C/[C@@](C)(O)CC(=O)/C=C(/C)CCCC(C)=O ZINC000095587238 FI Annotated Mild COc1cc(C#C/C=C\C#Cc2ccccc2SC)cc(OC)c1OC ZINC000095587330 FI Annotated Mild Cn1c(SCc2ccccc2)nc(-c2ccc(Cl)cc2)c(C#N)c1=O ZINC000095587563 FI Annotated Mild CN(C)CCCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O ZINC000095587592 FI Annotated Bother C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000095587646 FI Annotated Mild CC(C)n1nc(Cn2nc3ccccc3c2CCCCO)c2ccccc21 ZINC000095587903 FI Annotated Anodyne C=CCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000095588165 FI Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2C)C(=O)/C(=C/c2ccccc2C)C1 ZINC000095588268 FI Annotated Mild CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2O)CCC(C)(C)O3)cc1 ZINC000095588332 FI Annotated Mild Clc1ccccc1COc1ccccc1/C=N/O[C@@H]1CN2CCC1CC2 ZINC000095588383 FI Annotated Mild Clc1ccccc1COc1ccccc1/C=N/O[C@H]1CN2CCC1CC2 ZINC000095588384 FI Annotated Mild CCOC(=O)c1c(OC2CCC(C)CC2)cc(Cc2ccccc2)[nH]c1=O ZINC000095588391 FI Annotated Anodyne COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000095588804 FI Annotated Reactive Cc1nc(-c2cccnc2)sc1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000095589007 FI Annotated Mild CC(C)n1nc(Cn2nc3c(c2CCCCO)CCCC3)c2ccccc21 ZINC000095589210 FI Annotated Anodyne COCOc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(O)cc2O)cc1 ZINC000095589748 FI Annotated Mild CCOC(=O)c1c(O[C@@H]2CCC[C@H](C)C2)cc(Cc2ccccc2)[nH]c1=O ZINC000095589830 FI Annotated Anodyne CCOC(=O)c1c(O[C@H]2CCC[C@H](C)C2)cc(Cc2ccccc2)[nH]c1=O ZINC000095589831 FI Annotated Anodyne CCOC(=O)c1c(O[C@@H]2CCC[C@@H](C)C2)cc(Cc2ccccc2)[nH]c1=O ZINC000095589832 FI Annotated Anodyne CCOC(=O)c1c(O[C@H]2CCC[C@@H](C)C2)cc(Cc2ccccc2)[nH]c1=O ZINC000095589833 FI Annotated Anodyne O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1CN2CCC1(F)CC2 ZINC000095590082 FI Annotated Anodyne O=c1cc(-c2ccccc2)c2ccccc2n1C[C@H]1CN2CCC1(F)CC2 ZINC000095590083 FI Annotated Anodyne COCCO[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000095590156 FI Annotated Anodyne COCCO[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000095590157 FI Annotated Anodyne CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCNCC1)N2 ZINC000095590489 FI Annotated Anodyne Clc1ccc(COc2ccccc2/C=N/O[C@@H]2CN3CCC2CC3)cc1 ZINC000095590565 FI Annotated Mild Clc1ccc(COc2ccccc2/C=N/O[C@H]2CN3CCC2CC3)cc1 ZINC000095590566 FI Annotated Mild CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2O)O1 ZINC000095591131 FI Annotated Mild CCOC(=O)c1c(O[C@@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O ZINC000095591314 FI Annotated Anodyne CCOC(=O)c1c(O[C@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O ZINC000095591315 FI Annotated Anodyne CCOC(=O)c1c(O[C@@H]2CCCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O ZINC000095591316 FI Annotated Anodyne CCOC(=O)c1c(O[C@H]2CCCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O ZINC000095591317 FI Annotated Anodyne CC(C)N1CC[C@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 ZINC000095591499 FI Annotated Mild CC(C)N1CC[C@@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 ZINC000095591500 FI Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC(=O)C(=O)c4[nH]cc(c43)C[C@@]12O ZINC000095591687 FI Annotated Mild CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)C3=CC(=O)C(=O)c4[nH]cc(c43)C[C@@]12O ZINC000095591688 FI Annotated Mild CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1Br ZINC000095591713 FI Annotated Anodyne Cn1c(SCc2ccccc2)nc(-c2cccc(Cl)c2)c(C#N)c1=O ZINC000095592095 FI Annotated Mild CCOC(=O)c1c(OC2CCCCCC2)cc(Cc2ccccc2)[nH]c1=O ZINC000095592581 FI Annotated Anodyne N#Cc1c(-c2ccccc2)c2ccccc2n(CCCN2CCCC2)c1=O ZINC000095592683 FI Annotated Mild OCc1c(CO)c(-c2ccc(F)cc2)n2c1CS[C@@H]2c1ccccc1 ZINC000095593179 FI Annotated Anodyne C=C1CC/C=C(\C)CC[C@H](C(=C)C)[C@@H](O)/C=C(\COC(C)=O)CC[C@H]1O ZINC000095593214 FI Annotated Mild COc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)OC(C)C)cc1 ZINC000095593224 FI Annotated Anodyne CCCCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000095593229 FI Annotated Bother Cc1nc2sc(C(=O)N[C@@H](C)c3cccnc3)c(N)c2c(C)c1Cl ZINC000095593357 FI Annotated Anodyne Cc1nc2sc(C(=O)N[C@H](C)c3cccnc3)c(N)c2c(C)c1Cl ZINC000095593358 FI Annotated Anodyne C=C(C)[C@H]1CC/C(C)=C/CC[C@@](C)(Cl)[C@H](O)CC/C(CO)=C/[C@@H]1O ZINC000095593388 FI Annotated Mild Brc1ccccc1COc1ccc2c(c1)CCc1nccn1-2 ZINC000095594288 FI Annotated Anodyne NC(N)=NCCc1cccc2c(-c3ccc(C(F)(F)F)cc3)cccc12 ZINC000095594293 FI Annotated Mild C=C(C)[C@H]1CC/C(C)=C/C/C=C(/C)[C@H](O)CC/C(COC(C)=O)=C/[C@@H]1O ZINC000095594393 FI Annotated Mild COc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1 ZINC000095595276 FI Annotated Anodyne CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cn1 ZINC000095595408 FI Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1cccc2c(CN=C(N)N)cccc12 ZINC000095595531 FI Annotated Mild COc1ccc2c(c1)Oc1ncn3ncnc3c1[C@@H]2c1ccc(Cl)cc1 ZINC000095595676 FI Annotated Anodyne COc1ccc2c(c1)Oc1ncn3ncnc3c1[C@H]2c1ccc(Cl)cc1 ZINC000095595677 FI Annotated Anodyne Cn1cc(-c2ccc(Cn3c4ccccc4c4nccnc43)c(F)c2)cn1 ZINC000095596070 FI Annotated Anodyne NC(N)=NCc1cccc2c(-c3ccc(Br)cc3)cccc12 ZINC000095596360 FI Annotated Mild Cc1nc2sc(C(=O)N[C@@H](C)c3ccncc3)c(N)c2c(C)c1Cl ZINC000095596390 FI Annotated Anodyne Cc1nc2sc(C(=O)N[C@H](C)c3ccncc3)c(N)c2c(C)c1Cl ZINC000095596391 FI Annotated Anodyne CCCCc1cc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000095596501 FI Annotated Bother CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)nc1 ZINC000095597584 FI Annotated Anodyne Fc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 ZINC000095598061 FI Annotated Anodyne CCCCCCCCCCCCS(=O)(=O)N1CCC[N+](C)(C)CC1 ZINC000095598395 FI Annotated Mild CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 ZINC000095598747 FI Annotated Anodyne CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 ZINC000095598748 FI Annotated Anodyne CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 ZINC000095598749 FI Annotated Anodyne CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 ZINC000095598750 FI Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1[C@@H](OC(C)=O)CCC2 ZINC000095598830 FI Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1[C@H](OC(C)=O)CCC2 ZINC000095598831 FI Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)C)c(Cc3ccc(OC)cc3C)n2c1 ZINC000095599002 FI Annotated Anodyne C=CCn1c(Cn2c(-c3cnccn3)nc3ccccc32)nc2ccccc21 ZINC000095599157 FI Annotated Mild CC(C)(C)[C@@H]1CCN2CCC[C@@](c3ccc([N+](=O)[O-])cc3)(C1)C21OCCO1 ZINC000095600791 FI Annotated Bother CC(C)(C)[C@H]1CCN2CCC[C@@](c3ccc([N+](=O)[O-])cc3)(C1)C21OCCO1 ZINC000095600792 FI Annotated Bother O=C(NCCc1ccccc1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 ZINC000095600813 FI Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccc(C(C)C)cc2)o1 ZINC000095601823 FI Annotated Bother CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc1o[nH]c(=O)c3cccc2c13 ZINC000095602133 FI Annotated Reactive CCc1c(C)sc(N(C)C(=O)c2ccc(Cl)cc2)c1C(=O)OC ZINC000095603220 FI Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(Cc3ccsc3)n2c1 ZINC000095603752 FI Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc1o[nH]c(=O)c3cccc2c13 ZINC000095604120 FI Annotated Reactive CCCCNC(=O)c1nc(-c2cnc(C)cn2)oc1-c1ccc(Cl)cc1 ZINC000095605454 FI Annotated Anodyne C=CCn1c(NCC)nc2c(c1=O)C(C)(C)Cc1cc(OC(C)C)ccc1-2 ZINC000095605637 FI Annotated Mild O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000095607774 FI Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN([C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000095607775 FI Annotated Anodyne C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@H]3[C@@H](OC(C)=O)[C@H](C)CN1C ZINC000095635859 FI Annotated Mild in-vitro C[C@@H]1CC(=O)N[C@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)NC1=O ZINC000095660950 FI Annotated Anodyne C[C@H]1CC(=O)N[C@H](c2ccccc2)C/C=C\C[C@@H](c2ccccc2)NC1=O ZINC000095662878 FI Annotated Anodyne C[C@@H]1CC(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)NC1=O ZINC000095662951 FI Annotated Anodyne C[C@H]1CC(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)NC1=O ZINC000095664034 FI Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 ZINC000095664323 FI Annotated Anodyne CCc1cnc(N2[C@H](C#N)[C@@H](c3ccccc3C3=CCCC3)[C@@H]2CO)s1 ZINC000095664950 FI Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCCC3)[C@H]2CNC(C)C)cc1 ZINC000095664996 FI Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@H]1c1cc(C3=CCCCC3)ccc1N[C@H]2CO ZINC000095667995 FI Annotated Anodyne C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1Cc1ccc(F)cc1)[C@H](CO)N2 ZINC000095668154 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1-c1ccccc1 ZINC000095752698 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1-c1ccccc1 ZINC000095752700 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000095752712 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000095752714 FI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000095752719 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)N[C@H](Cc2ccccc2)C1 ZINC000095752889 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)C1 ZINC000095752891 FI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)N[C@H](Cc2ccccc2)C1 ZINC000095752893 FI Annotated Anodyne Cc1ccc(NC(=O)COc2nsc3nc(C)cc(C)c23)c(Cl)c1 ZINC000095755290 FI Annotated Anodyne COc1cccc(-c2nn(Cc3nnc(C(C)(C)C)o3)c3ccccc23)c1 ZINC000095755510 FI Annotated Anodyne Cc1cc(C)c(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000095755662 FI Annotated Reactive CC(C)(C)OC(=O)N(Cc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000095756460 FI Annotated Mild IC1=C2C=CCC(OCc3ccccc3)=C2N=N1 ZINC000095757033 FI Annotated Anodyne COCCn1c(=O)c([N+](=O)[O-])c(Sc2ccc(C)cc2)c2ccccc21 ZINC000095771598 FI Annotated Bother Cc1cc(C(=S)Oc2cccc(Br)c2)nn1C(C)(C)C ZINC000095771678 FI Annotated Anodyne C=C[C@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1Cc1ccc(OC)cc1 ZINC000095784866 FI Annotated Mild C=C[C@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1Cc1ccc(OC)cc1 ZINC000095784868 FI Annotated Mild C=C[C@@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1Cc1ccc(OC)cc1 ZINC000095784870 FI Annotated Mild C=C[C@@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1Cc1ccc(OC)cc1 ZINC000095784873 FI Annotated Mild C=C1CC[C@@H](C)[C@](C)(CCC2=C[C@H](OC)OC2=O)C/C=C\C=C\1C(=O)O ZINC000095786162 FI Annotated Mild C=C1CC[C@@H](C)[C@@](C)(CCC2=C[C@H](OC)OC2=O)C/C=C\C=C\1C(=O)O ZINC000095786164 FI Annotated Mild CCc1csc(N2[C@H](C#N)[C@H](c3ccccc3C3=CCCC3)[C@H]2CO)n1 ZINC000095797503 FI Annotated Mild O=S(=O)(c1ccccc1)[C@@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccccc1 ZINC000095798558 FI Annotated Mild O=S(=O)(c1ccccc1)[C@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccccc1 ZINC000095798559 FI Annotated Mild O=S(=O)(c1ccccc1)[C@@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccccc1 ZINC000095798560 FI Annotated Mild O=S(=O)(c1ccccc1)[C@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccccc1 ZINC000095798561 FI Annotated Mild O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/C1=CCCCC1 ZINC000095808860 FI Annotated Reactive CCc1cnc(N2[C@@H](C#N)[C@@H](c3ccccc3C3=CCCC3)[C@@H]2CO)s1 ZINC000095867918 FI Annotated Mild CCc1csc(N2[C@@H](C#N)[C@@H](c3ccccc3C3=CCCC3)[C@@H]2CO)n1 ZINC000095869301 FI Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCCC3)[C@@H]2CNC(C)C)cc1 ZINC000095871945 FI Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCCC2)N(c2ccc(C)cc2)C1=S ZINC000095872338 FI Annotated Anodyne CCCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(C)cc2)C1=S ZINC000095872948 FI Annotated Anodyne CCCc1ccc(N2C(=S)N(C(=O)OCC)C(=O)C23CCCCC3)cc1 ZINC000095872954 FI Annotated Anodyne Cc1ccc(N2C(=S)N(C(=O)OC(C)C)C(=O)C23CCCCC3)cc1 ZINC000095872971 FI Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(CC)cc2)C1=S ZINC000095872972 FI Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(Cl)cc2)C1=S ZINC000095872979 FI Annotated Anodyne CCc1cnc(N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C#N)s1 ZINC000095896113 FI Annotated Mild CCc1cnc(N2[C@@H](C#N)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)s1 ZINC000095896114 FI Annotated Mild CCc1cnc(N2[C@@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)s1 ZINC000095896115 FI Annotated Mild CCc1cnc(N2[C@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2CO)s1 ZINC000095896116 FI Annotated Mild CCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)s1 ZINC000095896117 FI Annotated Mild CCc1cnc(N2[C@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)s1 ZINC000095896118 FI Annotated Mild CCc1csc(N2[C@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2CO)n1 ZINC000095897722 FI Annotated Mild CCc1csc(N2[C@@H](C#N)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)n1 ZINC000095897723 FI Annotated Mild CCc1csc(N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C#N)n1 ZINC000095897724 FI Annotated Mild CCc1csc(N2[C@H](C#N)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)n1 ZINC000095897725 FI Annotated Mild CCc1csc(N2[C@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)n1 ZINC000095897726 FI Annotated Mild CC(=O)OC1=C[C@]2(C)[C@H]3CC(=O)[C@@]4(C)C=C[C@]3(CC[C@H]2C(C)(C)C1=O)C4 ZINC000095908909 FI Annotated Mild in-vitro biogenic CC1=C(CC[C@](C)(O)[C@@H](O)CCl)[C@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC1 ZINC000095909353 FI Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1C[C@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@]12O ZINC000095909945 FI Annotated Anodyne in-vitro biogenic C=C(C)[C@H]1/C=C/[C@@H](C)C(=O)[C@H]2C[C@@H](C)[C@H](OC(C)=O)/C2=C/[C@H](C)C(=O)C1 ZINC000095912531 FI Annotated Mild in-vitro biogenic CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@]3(C)C(C(=O)O)=CCC[C@@H]32)C(=O)O1 ZINC000095912858 FI Annotated Anodyne in-vitro biogenic COc1c(O)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3C2)cc1CC=C(C)C ZINC000095918663 FI Annotated Anodyne in-vitro biogenic C=CC(C)(C)c1cc(OC)c(OC)c2c(=O)c3cccc(OC)c3oc12 ZINC000095919238 FI Annotated Mild in-vitro biogenic O[C@H]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H](O)[C@H]1O ZINC000095920910 FI Annotated Bother Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc3[nH]cc(C)c23)cc1 ZINC000096018594 FI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc3[nH]cc(C)c23)cc1 ZINC000096018595 FI Annotated Anodyne N#Cc1ccc(/C=C2\C[C@@]3(OC(=O)c4cccc(F)c4)CCCN2C3)cc1 ZINC000096018764 FI Annotated Anodyne N#Cc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccc(F)cc4)CCCN2C3)cc1 ZINC000096018766 FI Annotated Anodyne N#Cc1ccc(/C=C2\C[C@@]3(OC(=O)C4CCCCC4)CCCN2C3)cc1 ZINC000096018774 FI Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)O1 ZINC000096018779 FI Annotated Anodyne N#CCC[C@@H]1CC[C@]2(CCCN(Cc3ccc(Br)cc3)C2)O1 ZINC000096018789 FI Annotated Anodyne N#CCC[C@H]1CC[C@]2(CCCN(Cc3ccc(Br)cc3)C2)O1 ZINC000096018816 FI Annotated Anodyne COc1ccc(/C=C2\C[C@@]3(OC(=O)c4cccc(F)c4)CCCN2C3)cc1 ZINC000096018824 FI Annotated Anodyne COc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccc(F)cc4)CCCN2C3)cc1 ZINC000096018826 FI Annotated Anodyne CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)c4ccccc4)CCCN2C3)c1 ZINC000096018840 FI Annotated Anodyne CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)c1 ZINC000096018842 FI Annotated Anodyne COc1cccc(/C=C2\C[C@@]3(OC(=O)c4cccc(F)c4)CCCN2C3)c1 ZINC000096018868 FI Annotated Anodyne COc1cccc(/C=C2\C[C@@]3(OC(=O)c4ccc(F)cc4)CCCN2C3)c1 ZINC000096018880 FI Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)c1ccc(Cl)cc1 ZINC000096018891 FI Annotated Anodyne COc1cccc(/C=C2\C[C@@]3(OC(=O)C4CCCCC4)CCCN2C3)c1 ZINC000096018934 FI Annotated Anodyne COc1ccc(/C=C2\C[C@@]3(OC(=O)C4CCCCC4)CCCN2C3)cc1 ZINC000096018938 FI Annotated Anodyne CC(C)C(=O)OCCCN1C(=O)CCC12CCC(c1ccccc1)CC2 ZINC000096019302 FI Annotated Anodyne CC(C)C(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O ZINC000096019342 FI Annotated Anodyne CC1CCC2(CC1)CCN(CCCOC(=O)Nc1cccc(F)c1)C2=O ZINC000096019354 FI Annotated Anodyne C=CCN1[C@@H](C)[C@@H](c2ccccc2)Oc2c(Cl)cccc2S1(=O)=O ZINC000096021244 FI Annotated Anodyne COc1c(C)c(CCCCCCCCCC[S@](C)=O)oc(=O)c1OC ZINC000096085906 FI Annotated Anodyne in-vitro COc1c(C)c(CCCCCCCCCC[S@@](C)=O)oc(=O)c1OC ZINC000096085907 FI Annotated Anodyne in-vitro O=c1[nH]nc2c3cc(CCC4CCC(O)CC4)ccc3oc3cccc1c32 ZINC000096167441 FI Annotated Bother O=C1NC[C@@H](c2ccc(-c3ccccc3)cc2)N1c1ccn2ccnc2c1 ZINC000096168040 FI Annotated Anodyne O=C1NC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccn2ccnc2c1 ZINC000096168041 FI Annotated Anodyne Clc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 ZINC000096169006 FI Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2S1 ZINC000096169248 FI Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2S1 ZINC000096169249 FI Annotated Anodyne Nc1nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2s1 ZINC000096169270 FI Annotated Anodyne Nc1nc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2s1 ZINC000096169271 FI Annotated Anodyne CC1(C)C(=O)Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc21 ZINC000096169312 FI Annotated Anodyne CC1(C)C(=O)Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc21 ZINC000096169313 FI Annotated Anodyne CCn1cc(Cc2nc3c(-c4ccc(C(F)(F)F)cc4)cccn3n2)cn1 ZINC000096169734 FI Annotated Anodyne COc1ncccc1-c1cccn2nc(Nc3ccc4ncccc4c3)nc12 ZINC000096169779 FI Annotated Anodyne Cc1cc(C(F)(F)F)cc(C)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 ZINC000096170650 FI Annotated Anodyne Cc1cc(C(F)(F)F)cc(C)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 ZINC000096170676 FI Annotated Anodyne Cc1cc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)c(C)s1 ZINC000096172029 FI Annotated Anodyne CCOc1ccc(N2CC(Oc3ccc([C@@H](C)CC(C)=O)cc3)C2)cc1 ZINC000096172831 FI Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)cc1 ZINC000096172832 FI Annotated Clean CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4oc(C)nc4c3)C2)cc1 ZINC000096172859 FI Annotated Anodyne CCOc1cccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c1 ZINC000096172862 FI Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000096172904 FI Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3noc4ccccc34)C2)cc1 ZINC000096172943 FI Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C(C)(C)C)cn3)C2)cc1 ZINC000096172945 FI Annotated Anodyne CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CF)cc3)C2)cc1 ZINC000096173001 FI Annotated Clean CCC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 ZINC000096173020 FI Annotated Anodyne CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)OC)cc3)C2)cc1 ZINC000096173027 FI Annotated Clean CN(C)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173943 FI Annotated Anodyne CC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174126 FI Annotated Anodyne NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174157 FI Annotated Anodyne OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCCC1 ZINC000096175039 FI Annotated Anodyne COc1ccc(-c2c(Cl)cccc2C(F)(F)F)cc1OC1CNC1 ZINC000096175877 FI Annotated Anodyne c1cc2c(c(OC3CCCCC3)n1)C(c1cnn(CC3CCC3)c1)=NC2 ZINC000096175975 FI Annotated Anodyne Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Cl)c2n1 ZINC000096176122 FI Annotated Anodyne CCCn1cc(-c2ccccc2)nc1[C@@H]1C[C@@H]1c1nc2c(C)ncc(C)n2n1 ZINC000096177991 FI Annotated Anodyne CCCn1cc(-c2ccccc2)nc1[C@H]1C[C@@H]1c1nc2c(C)ncc(C)n2n1 ZINC000096177992 FI Annotated Anodyne CCCn1cc(-c2ccccc2)nc1[C@@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 ZINC000096177993 FI Annotated Anodyne CCCn1cc(-c2ccccc2)nc1[C@H]1C[C@H]1c1nc2c(C)ncc(C)n2n1 ZINC000096177994 FI Annotated Anodyne O=C(Cc1nc(C(F)(F)F)cs1)c1cncc(Oc2cccnc2)c1 ZINC000096178153 FI Annotated Anodyne Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C ZINC000096178194 FI Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32 ZINC000096178948 FI Annotated Anodyne CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1ccc(-c2ccccc2F)cc1 ZINC000096248458 FI Annotated Anodyne CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1ccc(-c2ccccc2F)cc1 ZINC000096248459 FI Annotated Anodyne O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(C2CC2)c1)O3 ZINC000096269841 FI Annotated Anodyne O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(C2CC2)c1)O3 ZINC000096269842 FI Annotated Anodyne N#Cc1ccc(CN(Cc2cccnc2)Cc2cc(F)ccc2F)s1 ZINC000096270212 FI Annotated Mild Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccc2ccccc2n1 ZINC000096270515 FI Annotated Anodyne Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 ZINC000096271310 FI Annotated Anodyne CSc1nc(Cl)cc(Nc2cn[nH]c2-c2nc3ccc(C)cc3[nH]2)n1 ZINC000096271629 FI Annotated Anodyne C[C@@H]1CCC[C@H](C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)C1 ZINC000096273025 FI Annotated Mild C[C@H]1CCC[C@H](C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)C1 ZINC000096273026 FI Annotated Mild C[C@@H]1CCC[C@@H](C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)C1 ZINC000096273027 FI Annotated Mild C[C@H]1CCC[C@@H](C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)C1 ZINC000096273028 FI Annotated Mild O=C(O)c1cc2ccc(-n3c(S)nnc3-c3ccc(F)cc3)cc2s1 ZINC000096273169 FI Annotated Anodyne Cc1ccc(-c2nnc(S)n2-c2ccc3cc(C(=O)O)sc3c2)cc1 ZINC000096273170 FI Annotated Anodyne Cc1cccc(-c2nnc(S)n2-c2ccc3cc(C(=O)O)sc3c2)c1 ZINC000096273171 FI Annotated Anodyne Cc1ccccc1-c1nnc(S)n1-c1ccc2cc(C(=O)O)sc2c1 ZINC000096273172 FI Annotated Anodyne O=C(O)c1cc2ccc(-n3c(S)nnc3-c3ccccc3)cc2s1 ZINC000096273173 FI Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1 ZINC000096273267 FI Annotated Anodyne Cc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12 ZINC000096282216 FI Annotated Anodyne COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)c2)cc1OC ZINC000096282756 FI Annotated Anodyne O=C(Nc1ccnc(Nc2cccnn2)c1)c1c(Cl)cccc1Cl ZINC000096282826 FI Annotated Anodyne O=C1c2sc(COc3ccccc3)nc2CCN1c1ccc(F)cc1F ZINC000096283919 FI Annotated Anodyne O=C1c2sc(COc3ccccc3F)nc2CCN1c1ccc(F)cc1 ZINC000096283920 FI Annotated Anodyne O=C1c2sc(COc3cccc(F)c3)nc2CCN1c1ccc(F)cc1 ZINC000096283921 FI Annotated Anodyne O=C1c2sc(COc3ccc(F)cc3)nc2CCN1c1ccc(F)cc1 ZINC000096283922 FI Annotated Anodyne Brc1ccccc1-c1nnc(/C=C/c2ccc3c(c2)OCO3)o1 ZINC000096284409 FI Annotated Anodyne O=P(O)(O)[C@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 ZINC000096285006 FI Annotated Anodyne O=P(O)(O)[C@@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 ZINC000096285007 FI Annotated Anodyne COc1ccc(-c2cc(Cn3cncn3)c3ccc4[nH]ccc4c3n2)cc1 ZINC000096285998 FI Annotated Anodyne CCN(C(=O)c1ccccc1OCc1ccccc1F)[C@H]1CCC[C@@H](N)C1 ZINC000096286339 FI Annotated Anodyne CCN(C(=O)c1ccccc1OCc1ccccc1F)[C@@H]1CCC[C@H](N)C1 ZINC000096286340 FI Annotated Anodyne CCN(C(=O)c1ccccc1OCc1ccccc1C)[C@H]1CCC[C@@H](N)C1 ZINC000096286341 FI Annotated Anodyne CCN(C(=O)c1ccccc1OCc1ccccc1C)[C@@H]1CCC[C@H](N)C1 ZINC000096286342 FI Annotated Anodyne O=C1c2[nH]nc(-c3cccs3)c2[C@@H](c2ccccc2)N1c1nccs1 ZINC000096336149 FI Annotated Anodyne O=C1c2[nH]nc(-c3cccs3)c2[C@H](c2ccccc2)N1c1nccs1 ZINC000096336150 FI Annotated Anodyne CCCSc1nc(N)c(C#N)c(C(=O)c2cccc3ccccc23)c1C#N ZINC000096336568 FI Annotated Mild CCN(CC)c1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(N)c1C#N ZINC000096336701 FI Annotated Mild CC(C)=NOc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(N)c1C#N ZINC000096336702 FI Annotated Mild CC(=O)O[C@@H]1[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O ZINC000096888301 FI Annotated Anodyne C=C1[C@@H](NC)CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000096888379 FI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)n1 ZINC000096900736 FI Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 ZINC000096900738 FI Annotated Mild CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N\C(=O)c1ccncc1 ZINC000096901232 FI Annotated Clean CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1ccncc1 ZINC000096901233 FI Annotated Clean COCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1ccco1 ZINC000096901529 FI Annotated Mild N#Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000096901594 FI Annotated Mild C=CC(C)(C)c1cc([C@@H]2COc3c(ccc(O)c3O)C2)c(OC)cc1OC ZINC000096902671 FI Annotated Mild CC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H](C)[C@@H]2[C@H]1O ZINC000096903773 FI Annotated Anodyne Cc1sc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1C ZINC000096905582 FI Annotated Anodyne COc1cccc(Cc2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 ZINC000096905675 FI Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3Cl)ccc12 ZINC000096905955 FI Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3Cl)ccc12 ZINC000096905956 FI Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccc(Cl)c3)ccc12 ZINC000096905957 FI Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccc(Cl)c3)ccc12 ZINC000096905958 FI Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(Cl)cc3)ccc12 ZINC000096905959 FI Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)ccc12 ZINC000096905960 FI Annotated Anodyne CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@H](C)C[C@@H](O)C3=C(C)C[C@@H](O3)[C@@H]12 ZINC000096906092 FI Annotated Anodyne CSc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 ZINC000096906573 FI Annotated Anodyne O=C(c1ccccc1)c1sc(N2CCCCC2)nc1Br ZINC000096907308 FI Annotated Anodyne COc1ccccc1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1 ZINC000096907781 FI Annotated Mild COc1ccccc1Cc1cc2c(N)nc(-c3ccc(C)o3)nc2s1 ZINC000096907800 FI Annotated Anodyne Nc1cc(Cl)c(Cl)cc1C1=NN(C(=O)CCc2ccccc2)CC1 ZINC000096907951 FI Annotated Anodyne O=S(=O)(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000096908651 FI Annotated Anodyne COc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1 ZINC000096908906 FI Annotated Anodyne Cc1csc(-c2nc(N)c3cc(Cc4ccccc4F)sc3n2)n1 ZINC000096908908 FI Annotated Anodyne CC(C)C[C@@]1(C)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O ZINC000096909527 FI Annotated Anodyne CC(C)C[C@]1(C)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O ZINC000096909528 FI Annotated Anodyne Oc1nc(CN2CCCC2)nc2cc(-c3c[nH]c4ccccc34)sc12 ZINC000096909537 FI Annotated Anodyne Cn1c(-c2cc(-c3ccc[nH]3)no2)cc(Br)c1Br ZINC000096909561 FI Annotated Anodyne Brc1cc(-c2cc(-c3ccc[nH]3)no2)[nH]c1Br ZINC000096909563 FI Annotated Anodyne O=c1cc(C(F)(F)F)n(CCCCN2CCCC2)c2ccc(F)cc12 ZINC000096909949 FI Annotated Anodyne O=c1cc(C(F)(F)F)n(C/C=C/CN2CCCCC2)c2ccc(F)cc12 ZINC000096909950 FI Annotated Anodyne O=c1cc(C(F)(F)F)n(CCCCN2CCCCC2)c2ccc(F)cc12 ZINC000096909960 FI Annotated Anodyne O=C(/C=C/c1cc(Br)c(Br)[nH]1)c1ccccc1O ZINC000096910052 FI Annotated Mild C[C@H]1CC[C@@H]2[C@H]1[C@H](C1=CCCC1)OC(=O)[C@H]2[C@H]1OC(=O)C[C@H]2CC[C@H](C)[C@@H]12 ZINC000096910209 FI Annotated Anodyne C[C@H]1CC[C@H]2[C@H]1[C@H](C1=CCCC1)OC(=O)[C@H]2[C@H]1OC(=O)C[C@H]2CC[C@H](C)[C@@H]12 ZINC000096910210 FI Annotated Anodyne COc1ccc(N/N=C2/C(=O)c3ccc(Cl)c(Cl)c3N=C2O)cc1 ZINC000096910606 FI Annotated Mild COc1ccc(N/N=C2/C(=O)c3c(Cl)ccc(Cl)c3N=C2O)cc1 ZINC000096910620 FI Annotated Mild O=C1/C(=N/Nc2cccc(F)c2)C(O)=Nc2c1ccc(Cl)c2Cl ZINC000096910623 FI Annotated Mild O=C1/C(=N/Nc2ccc(F)cc2)C(O)=Nc2c(Cl)ccc(Cl)c21 ZINC000096910624 FI Annotated Mild COC(=O)c1cc(Br)cc(N(C)c2ccc(OC)cc2)c1 ZINC000096910975 FI Annotated Anodyne CCCOC(=O)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911358 FI Annotated Anodyne CCCOC(=O)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911359 FI Annotated Anodyne CCOC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911366 FI Annotated Anodyne CCOC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911368 FI Annotated Anodyne CC(C)OC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911370 FI Annotated Anodyne CC(C)OC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911372 FI Annotated Anodyne CCCOC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911374 FI Annotated Anodyne CCCOC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911376 FI Annotated Anodyne CCCCCOc1ccccc1-c1cc(C(=O)Nc2nnc(C)s2)no1 ZINC000096913504 FI Annotated Anodyne N#Cc1c(O)c2c(cc(Cl)n2-c2ccc(-c3ccsc3)cc2)[nH]c1=O ZINC000096913628 FI Annotated Mild CN(C(=O)c1ccoc1)c1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000096914411 FI Annotated Anodyne COC(=O)/C1=C\C=C(\C(C)C)CC/C(C(=O)O)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000096915197 FI Annotated Anodyne CCO[C@H]1C=C[C@H]2C/C=C\C[C@H](c3ccc(Cl)cc3)OC(=O)C[C@@H]1O2 ZINC000096915232 FI Annotated Anodyne O=C1C(c2ccccc2)=C(c2ccc3ccccc3c2)C[C@@H]2C[C@@H](O)CN12 ZINC000096915245 FI Annotated Anodyne O=C1C(c2ccccc2)=C(c2ccc3ccccc3c2)C[C@H]2C[C@@H](O)CN12 ZINC000096915246 FI Annotated Anodyne CC1=CC(=O)O[C@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@H]12 ZINC000096915542 FI Annotated Anodyne CC1=CC(=O)O[C@@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@H]12 ZINC000096915545 FI Annotated Anodyne CC1=CC(=O)O[C@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@@H]12 ZINC000096915547 FI Annotated Anodyne CC1=CC(=O)O[C@@H]2C=C(OCCOc3ccc(C(C)(C)C)cc3)C=C[C@@H]12 ZINC000096915549 FI Annotated Anodyne Cc1ccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)cc1 ZINC000096915914 FI Annotated Bother Nc1nc(-c2nnc(S)n2-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000096916126 FI Annotated Anodyne Cc1cccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)c1 ZINC000096916336 FI Annotated Bother O=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2Cl)[C@@H]1n1cncn1 ZINC000096916658 FI Annotated Anodyne O=C1C=CC2(C=C1)OC[C@@H](c1ccc(-c3cnc4ccccc4c3)cc1)O2 ZINC000096916751 FI Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1ccc(-c3cnc4ccccc4c3)cc1)O2 ZINC000096916753 FI Annotated Mild O=C1C=CC2(C=C1)OC[C@@H](c1cccc(-c3cnc4ccccc4c3)c1)O2 ZINC000096916857 FI Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1cccc(-c3cnc4ccccc4c3)c1)O2 ZINC000096916860 FI Annotated Mild CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2c(C)cccc2C)C1 ZINC000096917467 FI Annotated Anodyne CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2cc(C)ccc2C)C1 ZINC000096917469 FI Annotated Anodyne CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(C)cc2C)C1 ZINC000096917471 FI Annotated Anodyne CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2cc(C)ccc2F)C1 ZINC000096917475 FI Annotated Anodyne CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000096917478 FI Annotated Anodyne COC(=O)c1cc2c(o1)c1ccccc1n2Cc1ccc(C(=O)OC)s1 ZINC000096917720 FI Annotated Anodyne COc1nc(-c2nc3ccccc3n2C)cc(-c2ccc(F)cc2)c1C#N ZINC000096922204 FI Annotated Mild COc1nc(-c2nc3ccccc3n2C)cc(-c2ccc(C)cc2)c1C#N ZINC000096922206 FI Annotated Mild COc1ccc(-c2cc(-c3nc4ccccc4n3C)nc(OC)c2C#N)cc1 ZINC000096922208 FI Annotated Mild CCOc1nc(-c2nc3ccccc3n2C)cc(-c2ccc(C)o2)c1C#N ZINC000096922214 FI Annotated Mild COC1=CC(=O)C2=C(C[C@]3(C)[C@H](C)CC[C@]45C[C@@]4(C)CCC[C@]53O2)C1=O ZINC000096922381 FI Annotated Mild COC1=CC(=O)C2=C(C[C@]3(O2)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]23C)C1=O ZINC000096922384 FI Annotated Mild O=c1cc(CCl)oc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1O ZINC000096922495 FI Annotated Reactive C#CCO/N=C/c1c(-c2ccc(C)cc2)nc2ccc(Br)cn12 ZINC000096922592 FI Annotated Mild O=C(NO)Nc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 ZINC000096923823 FI Annotated Anodyne C=CCn1c(SC/C(=N\O)c2ccccc2)nnc1-c1ccccc1 ZINC000096924047 FI Annotated Mild CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@@H](OC(C)C)[C@@H]2C1=O)[C@@H](C)C3=O ZINC000096924352 FI Annotated Mild CC(=O)O[C@H]1/C=C/C(C)(C)CC2=C(C)C(=O)[C@]3(C[C@@H](C)C=C3/C=C\1C)O2 ZINC000096928263 FI Annotated Mild CC(=O)O[C@@H]1/C=C/C(C)(C)CC2=C(C)C(=O)[C@]3(C[C@@H](C)C=C3/C=C\1C)O2 ZINC000096928265 FI Annotated Mild COc1cc2oc3c(OC)c4c(cc3c(=O)c2cc1OC)CCC(C)(C)O4 ZINC000096928330 FI Annotated Bother COc1cc2oc3c(OC)c4c(cc3c(=O)c2cc1OC)OC(C)(C)CC4 ZINC000096928336 FI Annotated Bother CCCCn1c2c(cc(C(=O)NC3CCCCC3)c1=O)CCCCCC2 ZINC000096929216 FI Annotated Anodyne COc1ccc(C(=O)Cc2cc(O)c(C(=O)CCC(C)C)c(O)c2)cc1 ZINC000096929673 FI Annotated Anodyne CC(=O)Oc1cc(CC(=O)c2ccccc2)cc2oc(C(C)C)cc(=O)c12 ZINC000096929675 FI Annotated Anodyne Brc1ccccc1C[n+]1ccn(Cc2cc3ccccc3o2)c1 ZINC000096930244 FI Annotated Anodyne Cc1ccc(-c2cc(N3CCOCC3)c(C#N)c(-c3ccccc3)n2)cc1 ZINC000096932227 FI Annotated Mild CC(=O)N1N=C(c2ccc(C)nc2)O[C@]1(C)c1ccc(-c2ccccc2)cc1 ZINC000096932234 FI Annotated Anodyne CC(=O)N1N=C(c2ccc(C)nc2)O[C@@]1(C)c1ccc(-c2ccccc2)cc1 ZINC000096932235 FI Annotated Anodyne O=C(C(=O)c1ccc(Cl)cc1Cl)c1cn(C2CCCCC2)nn1 ZINC000096932340 FI Annotated Clean O=C(Cc1ccc(Cl)cc1Cl)c1cn(CCc2ccccc2)nn1 ZINC000096932342 FI Annotated Anodyne N#Cc1c(N/N=C/c2ccc(F)cc2)nc(S)nc1-c1ccc(F)cc1 ZINC000096932742 FI Annotated Mild CN(C)CCNc1nc2c(-c3ccc(Cl)cc3)cnn2c2ccccc12 ZINC000096933142 FI Annotated Anodyne CCN(CC)CCNc1nc2c(-c3ccccc3)cnn2c2ccccc12 ZINC000096933150 FI Annotated Anodyne c1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1 ZINC000096933151 FI Annotated Anodyne C=CC1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@]2(O)C[C@@H](O)CC[C@]12C ZINC000096933541 FI Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccn1)=C2c1ccccc1 ZINC000096934697 FI Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccn1)=C2c1ccccc1 ZINC000096934698 FI Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccn1)=C2c1ccccc1 ZINC000096934699 FI Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccn1)=C2c1ccccc1 ZINC000096934700 FI Annotated Clean CN(C)/C=C/c1nc(-c2ccccc2)cc2c1C(=O)c1ccccc1C2=O ZINC000096934759 FI Annotated Clean CN(C)/C=C/c1nc(-c2ccc(F)cc2)cc2c1C(=O)c1ccccc1C2=O ZINC000096934761 FI Annotated Clean Cc1ccc(-c2cc3c(c(/C=C/N(C)C)n2)C(=O)c2ccccc2C3=O)cc1 ZINC000096934764 FI Annotated Clean COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(N(C)C)c(F)c3)oc12 ZINC000096934919 FI Annotated Anodyne COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)ccc1N(C)C ZINC000096934921 FI Annotated Anodyne COc1ccc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)cc1N(C)C ZINC000096934922 FI Annotated Anodyne CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000096935249 FI Annotated Anodyne CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000096935250 FI Annotated Anodyne CC(C)(C)c1ccc(O)c([C@@]2(c3cccnc3)C(=O)Nc3ccccc32)c1 ZINC000096937506 FI Annotated Anodyne CC(C)(C)c1ccc(O)c([C@]2(c3cccnc3)C(=O)Nc3ccccc32)c1 ZINC000096937507 FI Annotated Anodyne Cn1c(C23CC4CC(CC(C4)C2)C3)nn(CNc2ccccc2)c1=S ZINC000096937742 FI Annotated Anodyne CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2 ZINC000096938456 FI Annotated Anodyne CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(SC)S2 ZINC000096938457 FI Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1c(O)[nH]c2ccccc2c1=O ZINC000096938803 FI Annotated Mild Cc1nc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F ZINC000096938937 FI Annotated Anodyne O=C(Nc1nc(CF)cs1)c1cc(Cl)cc(Oc2cncnc2)c1 ZINC000096938938 FI Annotated Anodyne O=C(Nc1cc(Cl)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1 ZINC000096938956 FI Annotated Anodyne O=C(Nc1cccc(Cl)n1)c1cc(Cl)cc(Oc2cncnc2)c1 ZINC000096938963 FI Annotated Anodyne CCc1ccc(/C=C2\C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O)[C@@H]23)cc1 ZINC000096939117 FI Annotated Anodyne O=C(Nc1cccc(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1 ZINC000096939138 FI Annotated Anodyne CCc1ccc(/C=C2/C(=O)O[C@H]3[C@H]2CCC(C)=C2CC[C@@](C)(O)[C@@H]23)cc1 ZINC000096939260 FI Annotated Anodyne O=[N+]([O-])c1c(CSc2ccccc2)nc2ccc(Br)cn12 ZINC000096939374 FI Annotated Bother c1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)nc1 ZINC000096940345 FI Annotated Anodyne c1ccc([C@]2(CCNCc3cccnc3)CCOC3(CCCC3)C2)nc1 ZINC000096940346 FI Annotated Anodyne COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4cccs4)c32)cc1 ZINC000096940444 FI Annotated Anodyne Cc1ccc(C(=O)O[C@H]2[C@@H](C)Nc3ccccc3[C@H]2N2CCCC2)cc1 ZINC000096941846 FI Annotated Anodyne CN(C)C[C@@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1 ZINC000098081901 FI Annotated Anodyne CN(C)C[C@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1 ZINC000098081902 FI Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)n1nc(C)cc1C ZINC000098081998 FI Annotated Bother O=c1sc2c(Cl)nc(-c3ccc(F)cc3)nc2n1-c1ccccc1 ZINC000098082027 FI Annotated Anodyne Fc1cccc(F)c1C1=N[C@H](c2ccc(OCC(F)(F)F)cc2)CO1 ZINC000098082148 FI Annotated Anodyne Fc1cccc(F)c1C1=N[C@@H](c2ccc(OCC(F)(F)F)cc2)CO1 ZINC000098082149 FI Annotated Anodyne Nc1nn(-c2nc3ccccc3s2)c(N)c1/N=N/c1ccc(F)cc1 ZINC000098082205 FI Annotated Clean COc1ccc(F)cc1-c1cccc(-c2nn(CCCCF)c(=O)o2)c1 ZINC000098082218 FI Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1F)S3 ZINC000098082443 FI Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(Nc1cccc(F)c1)S3 ZINC000098082444 FI Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(F)cc1)S3 ZINC000098082445 FI Annotated Anodyne O=S(=O)(O)c1cc(O)c(/N=C/C=C/c2ccccc2)c2ccccc12 ZINC000098082542 FI Annotated Mild O=S(=O)(O)c1cc(O)c(/N=C/c2ccccc2Cl)c2ccccc12 ZINC000098082543 FI Annotated Mild O=S(=O)(O)c1cc(O)c(/N=C/c2cccc(Cl)c2)c2ccccc12 ZINC000098082544 FI Annotated Mild N=C1SCC(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000098082557 FI Annotated Anodyne Cc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccccc2)cc1 ZINC000098082994 FI Annotated Anodyne CCc1c(Sc2ccccc2)n(OCc2ccccc2)c(=S)[nH]c1=O ZINC000098083827 FI Annotated Anodyne CCOC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000098083856 FI Annotated Anodyne CCOC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000098083857 FI Annotated Anodyne Cc1cc(-n2nc(N)c(/N=N/c3ccc(F)cc3)c2N)nc2ccccc12 ZINC000098084151 FI Annotated Clean S=c1oc(-c2csc(-c3ccccc3)n2)nn1CN1CCCCC1 ZINC000098084580 FI Annotated Anodyne CNc1ccc(C2(c3ccc(NC)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000098084686 FI Annotated Clean Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098084926 FI Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098084927 FI Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098084928 FI Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098084929 FI Annotated Anodyne CCc1c(Sc2ccccc2)n(OC2CCCCC2)c(=S)[nH]c1=O ZINC000098085567 FI Annotated Anodyne COc1ccccc1NC(=S)Nn1ccnc1-c1ccc(Cl)cc1 ZINC000098085664 FI Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(/N=C/c2cccc(Cl)c2)o1 ZINC000098085714 FI Annotated Mild O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccc(Cl)cc2)o1 ZINC000098085715 FI Annotated Mild O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccccc2Cl)o1 ZINC000098085716 FI Annotated Mild O=C(NCCCNCc1cc(Cl)sc1Cl)Nc1ccsc1 ZINC000098208151 FI Annotated Anodyne O[C@@H]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@@H](O)[C@@H]1O ZINC000098208239 FI Annotated Bother Cc1ccc2c(c1)nc(CCc1nc(C)c3ncccn13)n2-c1ccccc1 ZINC000098209601 FI Annotated Anodyne Cc1ccc2c(c1)nc(CCc1ncc3cccnn13)n2-c1ccccc1 ZINC000098209602 FI Annotated Anodyne