CCc1cc(Cl)c(O)c(C(=O)c2c[nH]c(Cl)c2Cl)c1O ZINC000000004322 EI Annotated Anodyne investigational CSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1 ZINC000000005522 EI Annotated Anodyne CCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl ZINC000000006305 EI Annotated Anodyne CCOc1cc(/C(=C/C#N)c2ccc(OC)c(OC)c2)ccc1OC ZINC000000006812 EI Annotated Reactive O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccc(F)cc1 ZINC000000010081 EI Annotated Anodyne CC(C)(C)c1cc(-c2nnc(NC#N)s2)cc(C(C)(C)C)c1O ZINC000000012190 EI Annotated Anodyne c1ccc(C(CNC2=NCc3ccccc3CN2)c2ccccc2)cc1 ZINC000000012999 EI Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000000015981 EI Annotated Anodyne CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2ccc(F)cc21 ZINC000000016864 EI Annotated Anodyne Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1 ZINC000000017394 EI Annotated Anodyne Oc1c2cnc3ccc(Br)cc3c2nn1-c1ccccc1 ZINC000000017712 EI Annotated Anodyne Cc1[nH]c2ccc(Br)cc2c1SC1CCNCC1 ZINC000000018494 EI Annotated Anodyne CC1(C)C=C(c2cccc[n+]2[O-])c2cc(Cl)c(Cl)cc2C1=O ZINC000000018514 EI Annotated Anodyne Cc1cc(-c2c(F)cc3/c(=N\O)ccn(C4CC4)c3c2F)cc(C)n1 ZINC000000019003 EI Annotated Anodyne CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2 ZINC000000021914 EI Annotated Anodyne in-man C[C@H](c1c[nH]cn1)c1scc(Br)c1Br ZINC000000022767 EI Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000000026124 EI Annotated Anodyne O=C(O)c1cccc2c3c([nH]c12)-c1cc(Br)ccc1C3 ZINC000000027059 EI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 ZINC000000027150 EI Annotated Anodyne Cc1ccc(C#N)c(SCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000000084232 EI Annotated Mild CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C1 ZINC000000090950 EI Annotated Anodyne Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000000092766 EI Annotated Anodyne O=C1c2[nH]nc(-c3ccco3)c2[C@H](c2ccccc2)N1c1ccccc1 ZINC000000104200 EI Annotated Anodyne O=C1c2[nH]nc(-c3ccco3)c2[C@@H](c2ccccc2)N1c1ccccc1 ZINC000000104205 EI Annotated Anodyne COc1cc(Nc2ncnc3sc4c(c23)CCCC4)cc(OC)c1 ZINC000000109345 EI Annotated Anodyne CCOC(=O)c1sc2nc(C)nc(N3CCCC[C@@H]3CC)c2c1C ZINC000000109452 EI Annotated Anodyne CCOC(=O)c1sc2nc(C)nc(N3CCCC[C@H]3CC)c2c1C ZINC000000109455 EI Annotated Anodyne CCOC(=O)c1sc2nc(C)nc(N[C@H]3CCCC[C@H]3C)c2c1C ZINC000000109500 EI Annotated Anodyne CCOC(=O)c1sc2nc(C)nc(N[C@@H]3CCCC[C@H]3C)c2c1C ZINC000000109503 EI Annotated Anodyne CCOC(=O)c1sc2nc(C)nc(N[C@H]3CCCC[C@@H]3C)c2c1C ZINC000000109505 EI Annotated Anodyne CCOC(=O)c1sc2nc(C)nc(N[C@@H]3CCCC[C@@H]3C)c2c1C ZINC000000109508 EI Annotated Anodyne Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1 ZINC000000114669 EI Annotated Anodyne Oc1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000000146714 EI Annotated Anodyne CCCS(=O)(=O)/C(C#N)=C/c1sccc1Oc1ccccc1 ZINC000000149664 EI Annotated Reactive CC1(C)CC(=O)c2c(cc(N3CCOCC3)c3[nH]c4ccccc4c23)C1 ZINC000000168009 EI Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000000173977 EI Annotated Anodyne Clc1ccc(-n2ncnc2-c2cccc(Br)c2)cc1 ZINC000000180978 EI Annotated Anodyne N#Cc1c(-n2ncnc2-c2cccs2)sc2c1CCCCC2 ZINC000000181012 EI Annotated Mild Oc1ccc(Br)cc1-c1nc(Cl)c2ccccc2n1 ZINC000000191847 EI Annotated Anodyne O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1 ZINC000000193099 EI Annotated Anodyne O=C1CCCC2=C1[C@H](c1cccc(O)c1)C1=C(O)c3ccccc3C1=N2 ZINC000000193961 EI Annotated Mild O=C1CCCC2=C1[C@@H](c1cccc(O)c1)C1=C(O)c3ccccc3C1=N2 ZINC000000193966 EI Annotated Mild COc1ccc([C@H]2CC(=O)C(/C=N/C3CCCCC3)=C(O)C2)cc1 ZINC000000194335 EI Annotated Mild Cc1cc(C)c(OC(=O)NC(C(F)(F)F)C(F)(F)F)c(C)c1 ZINC000000198124 EI Annotated Anodyne O=C1/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)Sc2ccccc21 ZINC000000198703 EI Annotated Mild CO[P@@](=O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000199028 EI Annotated Anodyne CO[P@](=O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000000199036 EI Annotated Anodyne CCN(CC)Cc1c(C(C)=O)c2cc(O)ccc2n1-c1ccccc1 ZINC000000200739 EI Annotated Anodyne CN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)C1CCCCC1 ZINC000000201332 EI Annotated Anodyne O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCCCCC1 ZINC000000201334 EI Annotated Anodyne O=c1oc2ccccc2c2c1nc(C(F)(F)F)n2-c1ccccc1 ZINC000000211813 EI Annotated Anodyne Brc1cnc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000000211831 EI Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC(=O)N2 ZINC000000212183 EI Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC(=O)N2 ZINC000000212184 EI Annotated Anodyne COc1cc(Nc2nc(C)nc3sc(C)c(C)c23)cc(OC)c1 ZINC000000215546 EI Annotated Anodyne C[C@H]1CCCCN1Cc1coc2c(Cl)cc(Cl)cc2c1=O ZINC000000216737 EI Annotated Anodyne C[C@@H]1CCCCN1Cc1coc2c(Cl)cc(Cl)cc2c1=O ZINC000000216743 EI Annotated Anodyne Oc1ccccc1/C=N/c1ccccc1OCC(F)(F)C(F)F ZINC000000221434 EI Annotated Mild CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000000222518 EI Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000000222520 EI Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000000222523 EI Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)nc3sc(C)c(C)c23)c1 ZINC000000223242 EI Annotated Anodyne Cc1ccc(-n2cc(/C(O)=N/C(C)C)c3ccccc3c2=O)cc1C ZINC000000224403 EI Annotated Mild O=C1N[C@@H](/C=C/c2ccccc2Cl)Nc2sc3c(c21)CCCC3 ZINC000000230060 EI Annotated Anodyne O=C1N[C@H](/C=C/c2ccccc2Cl)Nc2sc3c(c21)CCCC3 ZINC000000230062 EI Annotated Anodyne C[n+]1ccccc1/C=C/C1=C(c2ccccc2)Oc2ccccc2O1 ZINC000000230471 EI Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3nc(O)c([C@H](C)CC)nc3n2)C1 ZINC000000232913 EI Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2nc1O ZINC000000233862 EI Annotated Anodyne CC(C)c1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2nc1O ZINC000000233972 EI Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1SCC(=O)O ZINC000000240286 EI Annotated Mild Fc1ccc(Cl)cc1/C=N/n1cnnc1SCc1ccccc1 ZINC000000255275 EI Annotated Mild COc1cccc(CSC/C(O)=N/[C@@H]2CCCC[C@@H]2C)c1OC ZINC000000258512 EI Annotated Mild COc1cccc(CSC/C(O)=N/[C@@H]2CCCC[C@H]2C)c1OC ZINC000000258515 EI Annotated Mild COc1cccc(CSC/C(O)=N/[C@H]2CCCC[C@@H]2C)c1OC ZINC000000258520 EI Annotated Mild COc1cccc(CSC/C(O)=N/[C@H]2CCCC[C@H]2C)c1OC ZINC000000258521 EI Annotated Mild CC(=O)c1c(C(F)(F)F)nc(C(F)F)c(C(=O)O)c1CC(C)C ZINC000000267111 EI Annotated Anodyne CC(C)(C)[C@H]1CCc2c(sc3nc(C(F)(F)F)[nH]c(=O)c23)C1 ZINC000000307789 EI Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc3nc(C(F)(F)F)[nH]c(=O)c23)C1 ZINC000000307791 EI Annotated Anodyne Cn1c(=O)c(Cl)c2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2 ZINC000000343053 EI Annotated Anodyne C[C@H](NC(=O)c1cccs1)c1cc2c(cc1Cl)OCCCO2 ZINC000000356860 EI Annotated Anodyne Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccccc1)C(C#N)=C(N)O3 ZINC000000377184 EI Annotated Reactive Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccccc1)C(C#N)=C(N)O3 ZINC000000377187 EI Annotated Reactive Cc1ccc(C(=O)c2coc3ccc(Br)cc3c2=O)cc1 ZINC000000386538 EI Annotated Anodyne CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCCC1 ZINC000000413131 EI Annotated Anodyne CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000000419003 EI Annotated Anodyne CC1(C)Cc2ccccc2-c2nnc(SCc3ccc(C#N)cc3)n21 ZINC000000420423 EI Annotated Mild COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(Cl)c1 ZINC000000422945 EI Annotated Anodyne C[C@@]1(/C(O)=N/C2CCCCCC2)CCC(=O)N1Cc1cccs1 ZINC000000427054 EI Annotated Mild C[C@]1(/C(O)=N/C2CCCCCC2)CCC(=O)N1Cc1cccs1 ZINC000000427055 EI Annotated Mild CC[C@@H](C)/N=C(\O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1 ZINC000000427204 EI Annotated Mild CC[C@H](C)/N=C(\O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1 ZINC000000427205 EI Annotated Mild CC[C@@H](C)/N=C(\O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1 ZINC000000427206 EI Annotated Mild CC[C@H](C)/N=C(\O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(C)cc1 ZINC000000427207 EI Annotated Mild C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000000427423 EI Annotated Anodyne C[C@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000000427424 EI Annotated Anodyne Cc1ccccc1C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000000428469 EI Annotated Bother COc1ccc2cc3cc(C(=O)N(C)C4CCCCC4)oc3nc2c1 ZINC000000429122 EI Annotated Anodyne O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000000429168 EI Annotated Anodyne aggregator C[C@H]1CCCCN1C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000000429178 EI Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000000429179 EI Annotated Anodyne CN(C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1)C1CCCCC1 ZINC000000429568 EI Annotated Anodyne Cc1ccc(C2=NC(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])o3)S2)cc1 ZINC000000439689 EI Annotated Clean CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccs2)c1 ZINC000000450926 EI Annotated Anodyne CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccs2)c1 ZINC000000450927 EI Annotated Anodyne O=C(Nc1cccc(Cn2cccn2)c1)c1cc2c(s1)CCCC2 ZINC000001053855 EI Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1Nc1ccc(F)cc1F ZINC000001096698 EI Annotated Anodyne Cc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)s1 ZINC000001241840 EI Annotated Mild C=CC[C@]1(C#N)C(=S)N=C(C)/C(=C(\O)OCC)[C@@H]1c1ccccc1 ZINC000001268680 EI Annotated Mild C=CC[C@]1(C#N)C(=S)N=C(C)/C(=C(\O)OCC)[C@H]1c1ccccc1 ZINC000001268681 EI Annotated Mild C=CC[C@@]1(C#N)C(=S)N=C(C)/C(=C(\O)OCC)[C@@H]1c1ccccc1 ZINC000001268682 EI Annotated Mild C=CC[C@@]1(C#N)C(=S)N=C(C)/C(=C(\O)OCC)[C@H]1c1ccccc1 ZINC000001268683 EI Annotated Mild S=c1[nH]nc(-c2cccnc2)n1N=C/C(Cl)=C\c1ccccc1 ZINC000001306342 EI Annotated Anodyne aggregator Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 ZINC000001369494 EI Annotated Anodyne Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1 ZINC000001369497 EI Annotated Anodyne S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 ZINC000001369653 EI Annotated Anodyne S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 ZINC000001369656 EI Annotated Anodyne C=CCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 ZINC000001370339 EI Annotated Mild C=CCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 ZINC000001370342 EI Annotated Mild S=P(c1ccccc1)(c1ccccc1)N1CCCc2ccccc21 ZINC000001441598 EI Annotated Reactive COc1ccc(-c2ccc(O)c3c2CCN[C@@H]3C)c2c1C(O)=CCC2 ZINC000100003285 EI Annotated Clean in-vitro biogenic COc1ccc(Br)c2c1CC[C@H]1[C@@H](c3ccncc3)[C@H]21 ZINC000100025652 EI Annotated Anodyne COc1ccc(Br)c2c1CC[C@H]1[C@H]2[C@@H]1c1ccncc1 ZINC000100025653 EI Annotated Anodyne N#Cc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 ZINC000100068479 EI Annotated Mild COCc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 ZINC000100068489 EI Annotated Anodyne O=[N+]([O-])c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 ZINC000100068509 EI Annotated Bother Fc1ccccc1-c1nc2ccn(CCOc3ccccc3)cc-2n1 ZINC000100068523 EI Annotated Anodyne COc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccn1 ZINC000100090196 EI Annotated Mild c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)ccn1 ZINC000100093366 EI Annotated Anodyne Oc1ccc(-c2cccnc2)cc1CNC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 ZINC000100097073 EI Annotated Clean Oc1ccc(-c2cccnc2)cc1CNC[C@H]1C[C@@H]2C=C[C@@H]1C21CC1 ZINC000100097076 EI Annotated Clean c1cncc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)c1 ZINC000100101708 EI Annotated Anodyne c1cc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)ccn1 ZINC000100108679 EI Annotated Anodyne CCOC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cc1 ZINC000100249950 EI Annotated Clean C=C1CC[C@@H](C)[C@@](C)(CCC2=CCOC2=O)C/C=C\C=C\1C(=O)O ZINC000100268090 EI Annotated Mild C=C1CC[C@H](C)[C@@](C)(CCC2=CCOC2=O)C/C=C\C=C\1C(=O)O ZINC000100268095 EI Annotated Mild Cc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12 ZINC000100288278 EI Annotated Bother O=C1C/C(=N\c2ccc(F)c(C(F)(F)F)c2)c2ccccc2C1=O ZINC000100296705 EI Annotated Mild O=S(=O)(/N=C(\OC1CCCCC1)c1ccccc1)c1ccccc1 ZINC000100307525 EI Annotated Mild O=C1O[C@@H](c2ccccc2)CC(O)=C1SCCc1ccccc1 ZINC000100363855 EI Annotated Anodyne O=C1O[C@H](c2ccccc2)CC(O)=C1SCCc1ccccc1 ZINC000100363860 EI Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1CCS/C1=N\Cc1ccccc1 ZINC000100401334 EI Annotated Mild CCOC(=O)c1sc(N/C=C2\C(=O)C=Cc3ccccc32)cc1C ZINC000100437249 EI Annotated Mild C=CCC1=CC=C/C(=C\Nc2cc(Br)ccc2O)C1=O ZINC000100486793 EI Annotated Mild C[C@H](NC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21)c1ccccc1 ZINC000100492662 EI Annotated Mild C[C@@H](NC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21)c1ccccc1 ZINC000100492663 EI Annotated Mild CC(C)(C)c1ccc(O)c(N/C=C2\C=C(Br)C=CC2=O)c1 ZINC000100496890 EI Annotated Mild CC1(C)Cc2c(sc(/N=C\N3CCCCCC3)c2C#N)C(C)(C)N1 ZINC000100508790 EI Annotated Mild O=C1C=CC(=C2C[C@@H](c3ccc(F)cc3)N(c3ccccc3)N2)C=C1 ZINC000100523556 EI Annotated Mild O=C1C=CC(=C2C[C@H](c3ccc(F)cc3)N(c3ccccc3)N2)C=C1 ZINC000100523560 EI Annotated Mild COc1cccc(NC(=S)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c1 ZINC000100534936 EI Annotated Mild COc1cccc(NC(=S)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)c1 ZINC000100534942 EI Annotated Mild COc1cccc(NC(=S)N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)c1 ZINC000100534948 EI Annotated Mild COc1ccc(/C=N\c2c(-c3ccco3)nc3ccccn23)cc1OC ZINC000100535495 EI Annotated Mild O=C1C=CC=C/C1=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000100550301 EI Annotated Mild O=C1C=CC=C/C1=C1/C[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 ZINC000100561344 EI Annotated Mild O=C1C=CC=C/C1=C1/C[C@H](c2ccccc2)n2c(nc3ccccc32)N1 ZINC000100561345 EI Annotated Mild O=C1C=CC(=NNc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C=C1 ZINC000100567031 EI Annotated Mild CC(C)C[C@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O ZINC000100603418 EI Annotated Anodyne CC(C)C[C@@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O ZINC000100603422 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000100620687 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000100620689 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccccc3CC[C@H]21 ZINC000100620693 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccccc3CC[C@H]21 ZINC000100620697 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(F)cccc3CC[C@H]21 ZINC000100620815 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(F)cccc3CC[C@H]21 ZINC000100620817 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(F)cccc3CC[C@@H]21 ZINC000100620819 EI Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(F)cccc3CC[C@@H]21 ZINC000100620820 EI Annotated Anodyne C[C@H]1CCN(C(=O)c2ccc3c(c2)N=CC3)[C@H]2Cc3ccccc3[C@@H]12 ZINC000100621220 EI Annotated Anodyne Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621287 EI Annotated Anodyne CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccnc1 ZINC000100632707 EI Annotated Anodyne CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccnc1 ZINC000100632709 EI Annotated Anodyne c1ccc(COC[C@@]23N[C@H](Cc4ccccc42)c2ccccc23)cc1 ZINC000100660001 EI Annotated Anodyne c1ccc(COC[C@]23N[C@@H](Cc4ccccc42)c2ccccc23)cc1 ZINC000100660002 EI Annotated Anodyne CCC1(CC)Cc2ccccc2C(=C2C(=O)CC(C)(C)CC2=O)N1 ZINC000100699499 EI Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1 ZINC000100703007 EI Annotated Clean C[C@@H](Cn1cnc2ccccc21)C(=O)/N=N/c1c(O)[nH]c2ccccc12 ZINC000100703070 EI Annotated Clean C[C@H](Cn1cnc2ccccc21)C(=O)/N=N/c1c(O)[nH]c2ccccc12 ZINC000100703071 EI Annotated Clean CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000100703812 EI Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000100703813 EI Annotated Mild Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)cc1 ZINC000100703998 EI Annotated Clean N#C/C(=C(/O)c1ccc(Br)s1)c1nc2ccccc2[nH]1 ZINC000100704184 EI Annotated Reactive N#C/C(=C(/O)c1cc(=O)c2ccccc2o1)c1nc2ccccc2s1 ZINC000100704205 EI Annotated Reactive Cc1cccc(CSc2nc3c4ccccc4nc-3c(O)n2C)c1 ZINC000100705096 EI Annotated Anodyne Cc1ccc(CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 ZINC000100705141 EI Annotated Anodyne Cn1c(SCc2cccc(F)c2)nc2c3ccccc3nc-2c1O ZINC000100705161 EI Annotated Anodyne Cc1ccccc1CSc1nc2c3ccccc3nc-2c(O)n1C ZINC000100705222 EI Annotated Anodyne Cn1c(SCc2ccccc2F)nc2c3ccccc3nc-2c1O ZINC000100705226 EI Annotated Anodyne Cc1cc(NC(=O)c2ccccc2F)nc2c1c(=O)oc1ccccc12 ZINC000100711197 EI Annotated Bother COc1cccc([C@@]23CCN(C)[C@H](C2)/C(=C\c2ccccc2)C(=O)C3)c1 ZINC000100713439 EI Annotated Mild CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3c(C)cccc32)C1(C)C ZINC000100714648 EI Annotated Anodyne CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3c(C)cccc32)C1(C)C ZINC000100714657 EI Annotated Anodyne CCOC1(OCC)[C@H]2c3c(C)cccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000100714861 EI Annotated Anodyne CCOC1(OCC)[C@@H]2c3c(C)cccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000100714877 EI Annotated Anodyne CCOC1(OCC)[C@@H]2c3cccc(C)c3[C@H]([n+]3ccccc32)C1(C)C ZINC000100714979 EI Annotated Anodyne CCOC1(OCC)[C@H]2c3cccc(C)c3[C@@H]([n+]3ccccc32)C1(C)C ZINC000100714985 EI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cc[nH]c3)(c3cc[nH]c3)[C@@H]2c2cccc[n+]21 ZINC000100728984 EI Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cc[nH]c1)c1cc[nH]c1 ZINC000100728994 EI Annotated Anodyne COc1ccc2c(c1)[C@H]1CN(C)[C@H]2Cc2ccc(Br)cc21 ZINC000100740055 EI Annotated Anodyne COc1ccc([C@@H]2C=C(c3ccccc3)NC3=C2C(=O)CCC3)cc1 ZINC000100752495 EI Annotated Mild COc1ccc([C@H]2C=C(c3ccccc3)NC3=C2C(=O)CCC3)cc1 ZINC000100752496 EI Annotated Mild Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1CCCc1cccnc1 ZINC000100753535 EI Annotated Anodyne c1ccc2c(c1)CN(CCN1[C@@H]3CC[C@@H]1c1c([nH]c4ccccc14)C3)C2 ZINC000100753570 EI Annotated Anodyne CCCCCC(/C=C/C(O)=C1\C(=O)CN(C)C1=O)=C\c1ccccc1 ZINC000100756365 EI Annotated Mild C=C1[C@@H](OC(=O)/C=C(\C)CC)C=C(C(C)C)[C@@H]2/C(=C/C)C(=O)OC[C@@H]12 ZINC000100774732 EI Annotated Mild in-man endogenous C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000100775047 EI Annotated Mild in-man endogenous C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000100775048 EI Annotated Mild in-man endogenous CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]21C=C3C ZINC000100778183 EI Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@@]12C=C3C ZINC000100778185 EI Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]21C=C3C ZINC000100778187 EI Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@@]12C=C3C ZINC000100778189 EI Annotated Anodyne in-man endogenous C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000100780658 EI Annotated Anodyne in-man endogenous C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000100780661 EI Annotated Anodyne in-man endogenous C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 ZINC000100780663 EI Annotated Anodyne in-man endogenous C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000100780665 EI Annotated Anodyne in-man endogenous Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1SC(F)(F)F ZINC000100785190 EI Annotated Reactive O=[N+]([O-])c1cc([C@@H]2C3=C(O)CCCC3=Nc3ccnn32)ccc1Cl ZINC000100788560 EI Annotated Bother O=[N+]([O-])c1cc([C@H]2C3=C(O)CCCC3=Nc3ccnn32)ccc1Cl ZINC000100788562 EI Annotated Bother OC1=C2C(=Nc3ccnn3[C@@H]2c2cccc(OC(F)(F)F)c2)CCC1 ZINC000100789985 EI Annotated Anodyne OC1=C2C(=Nc3ccnn3[C@H]2c2cccc(OC(F)(F)F)c2)CCC1 ZINC000100789986 EI Annotated Anodyne OC1=C2C(=Nc3ccnn3[C@@H]2c2cccc(Br)c2)CCC1 ZINC000100790287 EI Annotated Anodyne OC1=C2C(=Nc3ccnn3[C@H]2c2cccc(Br)c2)CCC1 ZINC000100790289 EI Annotated Anodyne Cc1c[nH]c(NCCCN(C)C)c2c3ccc4c(O)cccc4c3nc1-2 ZINC000100791378 EI Annotated Bother CCCC[C@@H]1C[C@@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C ZINC000100800670 EI Annotated Anodyne CCCC[C@H]1C[C@@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C ZINC000100800672 EI Annotated Anodyne CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](Nc2ncccn2)CC1 ZINC000100803052 EI Annotated Anodyne CCCCc1c(O)c2cc3c(nc2n(-c2ccccc2)c1=O)CCCC3 ZINC000100814863 EI Annotated Anodyne CCCCc1c(O)c2cccnc2n(-c2cccc(Cl)c2C)c1=O ZINC000100818287 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100824311 EI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100824313 EI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100824314 EI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100824315 EI Annotated Anodyne in-man CC(C)CCCC[C@@H]1C[C@H](/C=C/[C@@]2(C)CC[C@H](O)CC2)[C@@H](O)[C@H]1O ZINC000100829738 EI Annotated Anodyne CO/C(=N\c1ccccc1)C1=C(O)C(C)(C)Oc2ccc(C#N)cc21 ZINC000100839734 EI Annotated Mild CC(C)C1=CC(=O)C(=O)/C(=C2/C=CC(C(C)C)=CC(O)=C2O)C=C1 ZINC000100842846 EI Annotated Mild CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42O3 ZINC000100862920 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42O3 ZINC000100862924 EI Annotated Anodyne Nc1[nH]nc2c3ccccc3nc-2c1-c1cccc(Br)c1 ZINC000100880874 EI Annotated Anodyne CCN(CC)CCCNc1[nH]cc(C)c2nc3ccc(OC)cc3c1-2 ZINC000100907808 EI Annotated Anodyne CCCC[C@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C ZINC000100913989 EI Annotated Anodyne CCCC[C@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C ZINC000100913993 EI Annotated Anodyne Oc1c2nc(-c3ccccc3)nc-2c2cccnc2n1-c1ccccc1 ZINC000100929903 EI Annotated Anodyne C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/C[C@@H]3CCC(C)(C)N3C)[C@@H]12 ZINC000101008402 EI Annotated Anodyne C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/C[C@H]3CCC(C)(C)N3C)[C@@H]12 ZINC000101008403 EI Annotated Anodyne Nc1[nH]nc2c3cc(Br)ccc3nc-2c1-c1ccccc1 ZINC000101009765 EI Annotated Anodyne COC(=O)C1=C(c2ccc(Br)cc2)C[C@@H]2CC[C@@H]1S2 ZINC000101018922 EI Annotated Anodyne COC(=O)C1=C(c2ccc(Br)cc2)C[C@H]2CC[C@H]1S2 ZINC000101018926 EI Annotated Anodyne CCCCCCOCCOCC[C@@]1(C)SC(O)=C(CC)C1=O ZINC000101029564 EI Annotated Mild CCCCCCOCCOCC[C@]1(C)SC(O)=C(CC)C1=O ZINC000101029569 EI Annotated Mild CCCCCC[C@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000101046527 EI Annotated Anodyne CCCCCC[C@@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000101046529 EI Annotated Anodyne CCCCC[C@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000101046587 EI Annotated Anodyne CCCCC[C@@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000101046588 EI Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000101059542 EI Annotated Anodyne CCCC[C@]12C[C@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 ZINC000101059566 EI Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 ZINC000101059570 EI Annotated Anodyne COC1=C(C)C(=O)/C(=C(O)/C=C/c2c(C)cccc2C)C(=O)C1(C)C ZINC000101083038 EI Annotated Mild COC1=C(C)C(=O)/C(=C(O)/C=C/c2cc(C)cc(C)c2)C(=O)C1(C)C ZINC000101083483 EI Annotated Mild C=Cc1ccccc1/C=C/C(O)=C1/C(=O)C(C)=C(OC)C(C)(C)C1=O ZINC000101083638 EI Annotated Mild CN1[C@@H]2CC[C@@H]1CC(Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C2 ZINC000101154473 EI Annotated Bother CN1[C@H]2CC[C@H]1CC(Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C2 ZINC000101154475 EI Annotated Bother CC(C)=CCC[C@H](C)CCN1C(=O)/C(=C(/C)O)C(=O)[C@@H]1CC(C)C ZINC000101164009 EI Annotated Mild CC(C)=CCC[C@@H](C)CCN1C(=O)/C(=C(/C)O)C(=O)[C@@H]1CC(C)C ZINC000101164011 EI Annotated Mild CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)C(C)=C(O)C3(C)C ZINC000101164603 EI Annotated Mild in-vivo C=CCN1[C@H]2CCC[C@H]1CC(OC(=O)Nc1cc(C)ccc1OC)C2 ZINC000101190791 EI Annotated Mild C=CCN1[C@@H]2CCC[C@@H]1CC(OC(=O)Nc1cc(C)ccc1OC)C2 ZINC000101190799 EI Annotated Mild CC[C@@H](C)[C@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O ZINC000101199859 EI Annotated Anodyne CC[C@H](C)[C@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O ZINC000101199864 EI Annotated Anodyne CC[C@@H](C)[C@@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O ZINC000101199867 EI Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O ZINC000101199871 EI Annotated Anodyne C[C@@H]1CC(=O)C([C@H]2C3=C(C[C@@H](C)CC3=O)Oc3ccccc32)=C(O)C1 ZINC000101200649 EI Annotated Mild C[C@@H]1CC(=O)C([C@@H]2C3=C(C[C@@H](C)CC3=O)Oc3ccccc32)=C(O)C1 ZINC000101200656 EI Annotated Mild c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@H]2[C@H]2CC[C@H]3C2)cc1 ZINC000101210345 EI Annotated Reactive C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101216955 EI Annotated Anodyne C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101216960 EI Annotated Anodyne CN1[C@@H]2CC[C@@H]1/C(=C\c1ccsc1)C(=O)/C2=C\c1ccsc1 ZINC000101257880 EI Annotated Mild CCCCCCCCCCCCNc1nc(O)c2ncnc-2c(O)n1 ZINC000101325822 EI Annotated Mild COc1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000101350349 EI Annotated Clean C=CC[C@H](OC)[C@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 ZINC000101355496 EI Annotated Mild in-vivo C=CC[C@@H](OC)[C@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 ZINC000101355501 EI Annotated Mild in-vivo Oc1[nH]c2ccccc2c1/N=N/c1n[nH]c2c3ccccc3nc-2n1 ZINC000101384744 EI Annotated Clean C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC/C(C)=C/CC1 ZINC000101392195 EI Annotated Anodyne CCOC(=O)[C@]12C[C@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O ZINC000101406335 EI Annotated Anodyne CCOC(=O)[C@@]12C[C@@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O ZINC000101406337 EI Annotated Anodyne CC(C)CN1C(=O)/C(=C/C(=O)c2cccnc2)c2c(Cl)cccc21 ZINC000101412706 EI Annotated Mild C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccsc1)c1ccsc1)C2 ZINC000101420168 EI Annotated Bother CCc1ccc(/C=C/C(O)=C2/C(=O)C(C)=C(OC)C(C)(C)C2=O)cc1 ZINC000101426635 EI Annotated Mild Cc1csc([C@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 ZINC000101433109 EI Annotated Anodyne CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNC(=O)Nc1ccc(F)c(F)c1F ZINC000101434525 EI Annotated Anodyne CC1(C)[C@H]2C[C@H]1CC[C@H]2CNC(=O)Nc1ccc(F)c(F)c1F ZINC000101434532 EI Annotated Anodyne C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C ZINC000101434545 EI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C ZINC000101434548 EI Annotated Anodyne Cc1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1 ZINC000101463405 EI Annotated Anodyne Oc1c2c(nn1-c1nc3ccc(F)cc3s1)CCc1ccccc1-2 ZINC000101463410 EI Annotated Anodyne Oc1c2c(nn1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2 ZINC000101463428 EI Annotated Anodyne CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000101466544 EI Annotated Reactive OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc3c(c2)OCO3)CO1 ZINC000101468261 EI Annotated Anodyne OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc3c(c2)OCO3)CO1 ZINC000101468265 EI Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000101469102 EI Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000101469107 EI Annotated Mild Cc1cc(C)c2[nH]c(O)c(/N=N/C(S)=N/C[C@@H]3CCCO3)c2c1 ZINC000101471476 EI Annotated Mild CCn1c(O)c(/N=N/C(=O)CNc2cccc(C)c2)c2ccccc21 ZINC000101473427 EI Annotated Clean Cc1ccc(/N=N/c2c(N)nn3c(O)cc(-c4ccccc4)nc23)cc1 ZINC000101474456 EI Annotated Clean Oc1c(/C=N/c2ccc(Cl)cc2)cnn1-c1cccc(Cl)n1 ZINC000101474475 EI Annotated Mild CC(=O)c1ccc(/N=C2\SCCCN2C(=O)C2CCCCC2)cc1 ZINC000101478167 EI Annotated Mild C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 ZINC000101480771 EI Annotated Reactive CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(Cl)cc1Cl ZINC000101491916 EI Annotated Mild CN1[C@@H]2CC[C@@H]1CC(Oc1ccc(C#N)cc1)(c1ccc(F)cc1)C2 ZINC000101492398 EI Annotated Mild CN1[C@H]2CC[C@H]1CC(Oc1ccc(C#N)cc1)(c1ccc(F)cc1)C2 ZINC000101492400 EI Annotated Mild CCn1c(C)nc2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)ccc21 ZINC000101496382 EI Annotated Clean COc1ccccc1CN[C@H]1[C@@H]2CCN[C@]1(c1ccccc1)CC=C2C ZINC000101500978 EI Annotated Anodyne COc1ccccc1CN[C@H]1[C@H]2CCN[C@@]1(c1ccccc1)CC=C2C ZINC000101500983 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@@H]1O2 ZINC000101501190 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1O2 ZINC000101501196 EI Annotated Anodyne COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@@H]2CC[C@@H]1O2 ZINC000101501220 EI Annotated Anodyne COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@H]2CC[C@H]1O2 ZINC000101501227 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@@H]2CC[C@@H]1O2 ZINC000101501330 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@H]2CC[C@H]1O2 ZINC000101501337 EI Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)n1 ZINC000101501565 EI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 ZINC000101501567 EI Annotated Mild CCCCCc1n/c(=N\Cc2cccnc2)sn1-c1ccccc1 ZINC000101506373 EI Annotated Anodyne c1ccc(-c2n/c(=N\Cc3cccnc3)sn2-c2ccccc2)cc1 ZINC000101506428 EI Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/c2ccccn2)=C1O ZINC000101510330 EI Annotated Mild O=C1C[C@@H](C2CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl ZINC000101510567 EI Annotated Anodyne CCC/C(=N\c1ccccc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000101510728 EI Annotated Mild CCC/C(=N\c1ccccc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000101510729 EI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccsc1 ZINC000101512910 EI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccsc1 ZINC000101512912 EI Annotated Mild CCCCN(C)C/C(O)=C(\C#N)c1nc(-c2ccccc2)cs1 ZINC000101514036 EI Annotated Reactive CCO/C(O)=C/C1=NC2(CCCCC2)Cc2cc(OC)c(OC)cc21 ZINC000101515647 EI Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2sc(C#N)c(N)c2[C@@H]1c1ccco1 ZINC000101519535 EI Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2sc(C#N)c(N)c2[C@H]1c1ccco1 ZINC000101519542 EI Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(O)=C([C@H](C)C(C)C)C(=O)[C@H]1CC=C(C)C ZINC000101521326 EI Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(O)=C([C@@H](C)C(C)C)C(=O)[C@H]1CC=C(C)C ZINC000101521330 EI Annotated Mild CNC1=CC(=O)C=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)C1=O ZINC000101542589 EI Annotated Mild Cc1ccc(/N=C2\C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)cc1C ZINC000101555634 EI Annotated Mild Cc1ccc(/N=C2\C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)cc1C ZINC000101555638 EI Annotated Mild Cc1nn(-c2ccccc2)c(S)c1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000101563191 EI Annotated Mild C=C1CC[C@@H]2[C@]3(CCC[C@@]2(C)COC3=O)[C@H]1CC(=O)c1ccoc1 ZINC000101563773 EI Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(N)C1=O ZINC000101564263 EI Annotated Mild N#C/C(=C(/O)CSc1ccccn1)c1nc2ccccc2s1 ZINC000101579111 EI Annotated Reactive COc1ccc(C2=NN=C(c3ccco3)Nc3ccc(F)cc32)cc1 ZINC000101585938 EI Annotated Anodyne COc1ccc(Cc2nn3c(O)cc(C)nc3c2-c2ccccc2)cc1 ZINC000101591253 EI Annotated Anodyne COc1ccc2c(c1)SC1=NC(c3ccccc3)=C/C(=C\C#N)N12 ZINC000101595396 EI Annotated Reactive Oc1[nH]nc(-c2ccccc2)c1/C=N/c1ccc(OC(F)(F)F)cc1 ZINC000101600352 EI Annotated Mild COC(=O)[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@H]1C3 ZINC000101618538 EI Annotated Mild CC(=O)c1ccc(/N=C2\SCCCN2C(=O)C2CCCC2)cc1 ZINC000101620591 EI Annotated Mild CC(C)(/C=C/C[C@@]1(C)CC[C@]2(C)O[C@H]2CC[C@](C)(O)[C@H]2C[C@@H]21)OO ZINC000101622132 EI Annotated Reactive Cc1cccc2c1CC[C@H](Cn1ccnc1)/C2=N/OCc1ccccc1 ZINC000101623160 EI Annotated Mild Cc1cccc2c1CC[C@@H](Cn1ccnc1)/C2=N/OCc1ccccc1 ZINC000101623163 EI Annotated Mild COC(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3s2)cc1 ZINC000101627225 EI Annotated Reactive CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccccc1Br ZINC000101628690 EI Annotated Reactive CCCC1=Nc2ncnn2[C@H](/C=C/c2ccccc2)/C1=C(\O)OCC ZINC000101631222 EI Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](/C=C/c2ccccc2)/C1=C(\O)OCC ZINC000101631224 EI Annotated Anodyne CCCCC1=C[C@@H](C2=NO[C@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 ZINC000101652644 EI Annotated Anodyne CCCCC1=C[C@@H](C2=NO[C@@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 ZINC000101652650 EI Annotated Anodyne O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccc4c(c1)CCCC4)(C3)C2)NO ZINC000101666181 EI Annotated Bother O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccc4c(c1)CCCC4)(C3)C2)NO ZINC000101666184 EI Annotated Bother CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(N)=CC1=O ZINC000101667177 EI Annotated Mild CCc1c(C)[nH]c(=O)c(Br)c1O[C@H]1C[C@@H](C)C[C@@H](C)C1 ZINC000101667666 EI Annotated Anodyne CC[C@@H]1OC(=O)CCCCCCC/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O ZINC000101676576 EI Annotated Reactive C[C@H]1C(=O)/C=C/C(C)(C)C[C@@H]2O[C@]2(C)CC[C@H]1NCc1ccccc1 ZINC000101677880 EI Annotated Mild CC(C)=CCC(=O)[C@@]1(O)C(O)=C(CC(C)C)C(=O)[C@H]1CC=C(C)C ZINC000101681459 EI Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(O)=C(CC(C)C)C(=O)[C@H]1CC=C(C)C ZINC000101681462 EI Annotated Mild CC(C)=CCC(=O)[C@@]1(O)C(O)=C(CC(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000101681464 EI Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(O)=C(CC(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000101681469 EI Annotated Mild O=C(CSCc1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101694439 EI Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@]1(C)O[C@@H]13 ZINC000101694662 EI Annotated Anodyne CCn1c(O)c(/N=N/C(=O)CNc2ccc(C)cc2)c2ccccc21 ZINC000101708774 EI Annotated Clean COc1ccc(/C(O)=C/C=N/c2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000101711149 EI Annotated Mild COc1cc2c3c(c1)c(/N=N/C(=N)S)c(O)n3C(C)(C)C=C2C ZINC000101714604 EI Annotated Clean COc1cc(CNc2[nH]cnc3c4cc(C)ccc4nc2-3)cc(OC)c1 ZINC000101717242 EI Annotated Anodyne FC(F)(F)c1ccccc1C1=C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000101723857 EI Annotated Anodyne FC(F)(F)c1ccccc1C1=C[C@H](c2ccccc2)n2ncnc2N1 ZINC000101723860 EI Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000101724128 EI Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000101724133 EI Annotated Anodyne O=C1C[C@@H](c2ccco2)CC(O)=C1/C=N/c1cc(Cl)ccc1O ZINC000101728918 EI Annotated Mild CC1(C)[C@@H]2CC=C(/C=N/N=C(\S)NCCc3ccccc3)[C@@H]1C2 ZINC000101741131 EI Annotated Mild CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/N=C(\S)NCCc1ccccc1 ZINC000101741135 EI Annotated Mild Cc1nn(-c2ccccc2)c(S)c1/C=N/c1cccc([N+](=O)[O-])c1 ZINC000101742444 EI Annotated Mild Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@@H]2CCCC[C@@H]2C3)cc1 ZINC000101742728 EI Annotated Anodyne Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@H]2CCCC[C@@H]2C3)cc1 ZINC000101742732 EI Annotated Anodyne CCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23 ZINC000101758698 EI Annotated Mild CCN1CCN(C2=Nc3ccc(C)cc3CC=C2c2ccccc2)CC1 ZINC000101761892 EI Annotated Anodyne CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 ZINC000101771718 EI Annotated Anodyne CC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)[C@H]1c1ccccc1 ZINC000101778605 EI Annotated Anodyne CC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)[C@@H]1c1ccccc1 ZINC000101778612 EI Annotated Anodyne COc1ccc(/N=N/c2c(-c3ccc(OC)cc3)noc2O)cc1 ZINC000101781111 EI Annotated Clean CCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(C)cc2)CC1 ZINC000101803796 EI Annotated Anodyne O/N=C(/c1ccc(Oc2ccc(F)cc2)nc1)N1CCCCCC1 ZINC000101807131 EI Annotated Mild CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2ccccc2C)s1 ZINC000101830626 EI Annotated Reactive CCOc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(Cl)cc1 ZINC000101831489 EI Annotated Mild CCCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cccs1 ZINC000101832588 EI Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cccs1 ZINC000101832591 EI Annotated Anodyne CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N(C)C ZINC000101835108 EI Annotated Clean Cc1ccc(C)c(/N=C2\C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)c1 ZINC000101838150 EI Annotated Mild Cc1ccc(C)c(/N=C2\C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)c1 ZINC000101838153 EI Annotated Mild CCC/N=c1\c(NC(=O)C2CCC(C)CC2)c(O)oc2ccccc12 ZINC000101855159 EI Annotated Anodyne Cc1ccc(/N=C2\C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)c(C)c1 ZINC000101868159 EI Annotated Mild Cc1ccc(/N=C2\C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)c(C)c1 ZINC000101868161 EI Annotated Mild Cc1nn(-c2ccccc2)c(O)c1/C=N/c1cccc2cccnc12 ZINC000101883148 EI Annotated Mild Fc1cccc(F)c1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 ZINC000101890488 EI Annotated Anodyne Fc1cccc(F)c1[C@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 ZINC000101890493 EI Annotated Anodyne COc1ccc(NC(=S)/N=N/c2c(O)[nH]c3ccccc23)cc1 ZINC000101895531 EI Annotated Clean Cc1ccc(NC(=O)CN2C[C@H](C)S/C2=N\C2CCCCC2)cc1 ZINC000101898768 EI Annotated Mild Cc1ccc(NC(=O)CN2C[C@@H](C)S/C2=N\C2CCCCC2)cc1 ZINC000101898774 EI Annotated Mild CCCCOc1ccc(-c2nc(/C=N/c3nccs3)c(O)o2)cc1 ZINC000101915111 EI Annotated Mild O=C1OC2(CCCCC2)OC(O)=C1/C=N/c1nc2ccccc2s1 ZINC000101934911 EI Annotated Mild O=[N+]([O-])c1cccc(/C=C/c2nc(/C=N/c3ccccc3)c(O)o2)c1 ZINC000101935111 EI Annotated Mild COP(=O)(/N=C(/Cc1ccccc1)N(C(C)C)C(C)C)OC ZINC000101944474 EI Annotated Mild Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N/c1ccccc1 ZINC000101957849 EI Annotated Clean C=CCn1c(O)c(/N=N/C(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000101958533 EI Annotated Mild Cc1cccc(C)c1OC[C@@H](C)/N=C(/O)C1=CC(C)(C)N([O])C1(C)C ZINC000101966920 EI Annotated Mild Cc1cccc(C)c1OC[C@H](C)/N=C(/O)C1=CC(C)(C)N([O])C1(C)C ZINC000101966923 EI Annotated Mild CN1[C@@H]2CC[C@@H]1/C(=C/c1ccsc1)C(=O)/C2=C\c1ccsc1 ZINC000101970929 EI Annotated Mild CN1[C@@H]2CC[C@@H]1/C(=C\c1ccsc1)C(=O)/C2=C/c1ccsc1 ZINC000101970933 EI Annotated Mild Cc1cccc(C)c1OC[C@@H](C)/N=C(/O)[C@@H]1CC(C)(C)N([O])C1(C)C ZINC000101975064 EI Annotated Mild Cc1cccc(C)c1OC[C@H](C)/N=C(/O)[C@@H]1CC(C)(C)N([O])C1(C)C ZINC000101975070 EI Annotated Mild CC(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)[C@]1(C)C=C[C@]2(C)C1 ZINC000101992709 EI Annotated Anodyne CC(=O)OC[C@]1(C)[C@H]2CC[C@@]34C[C@@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@]5(C)C4 ZINC000102018207 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)[C@@]1(C)C=O ZINC000102020097 EI Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(N)=CC1=O ZINC000102027398 EI Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(N)C1=O ZINC000102034748 EI Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)[C@]1(C)C=O ZINC000102043621 EI Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NC)=CC1=O ZINC000102043779 EI Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(NC)C1=O ZINC000102053774 EI Annotated Mild CC1=C(Nc2ccccc2)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000102073506 EI Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)[C@@]1(C)CO ZINC000102078651 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)[C@]1(C)CO ZINC000102078740 EI Annotated Anodyne CCO[P@@](=O)(NC(C)C)Oc1ccc(C)cc1Br ZINC000102082054 EI Annotated Anodyne CNc1ccc(-c2cc3cc([125I])ccc3[nH]2)cc1 ZINC000102083600 EI Annotated Anodyne C[C@@H]1[C@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 ZINC000102120110 EI Annotated Anodyne C[C@H]1[C@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 ZINC000102120116 EI Annotated Anodyne C=CCN(/N=N\c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000102124960 EI Annotated Mild CCCCc1c(O)c2cccnc2n(-c2ccccc2SC)c1=O ZINC000102187343 EI Annotated Anodyne CCCN(CCC)CCCNc1[nH]cc(C)c2nc3ccncc3c1-2 ZINC000102197762 EI Annotated Anodyne CC1=C(C)C(=O)C([C@@H](CCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000102198114 EI Annotated Mild CN1CCC/C1=N/CCc1cn(Cc2ccccc2)c2ccccc12 ZINC000102224087 EI Annotated Mild Cc1ccc(/N=N\c2c(N)nn3c(O)cc(-c4ccccc4)nc23)cc1 ZINC000102325621 EI Annotated Clean C=CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000102386259 EI Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000102386262 EI Annotated Mild O=C1Oc2ccc(Cl)cc2N/C1=C\C(=O)c1ccccc1Cl ZINC000102394116 EI Annotated Mild O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1/N=C/N1CCCC1 ZINC000102396282 EI Annotated Mild O=C1Oc2cc(Cl)ccc2N/C1=C\C(=O)c1ccccc1Cl ZINC000102401194 EI Annotated Mild C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 ZINC000102403788 EI Annotated Clean C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 ZINC000102403793 EI Annotated Clean CCN(/C=N/c1c(C=O)c(-c2ccccc2)nn1-c1ccccc1)CC ZINC000102410008 EI Annotated Mild CCCC(=O)OCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 ZINC000102489943 EI Annotated Clean O=C(/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl ZINC000102572491 EI Annotated Clean CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccs1 ZINC000102583904 EI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccs1 ZINC000102583909 EI Annotated Anodyne Cc1c(-c2ccccc2)n[nH]c1C(=O)/N=N\c1c(O)[nH]c2ccccc12 ZINC000102620901 EI Annotated Clean O=c1[nH]n2c(C(F)(F)F)cc(C3CC3)nc2c1/N=N\c1ccccc1 ZINC000102651417 EI Annotated Clean CCn1c(O)c(/N=N\C(=O)CNc2cccc(C)c2)c2ccccc21 ZINC000102662409 EI Annotated Clean O=C(CSCc1ccccc1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000102674964 EI Annotated Clean Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N\c1ccccc1 ZINC000102722929 EI Annotated Clean CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccs1 ZINC000102732579 EI Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccs1 ZINC000102732581 EI Annotated Anodyne COc1cc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)ccc1O ZINC000102764352 EI Annotated Reactive COc1cc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)ccc1O ZINC000102764355 EI Annotated Reactive CC(C)(C)C(=O)C[C@@]1(O)Oc2ccccc2N=C1/C=C(/O)C(C)(C)C ZINC000102780844 EI Annotated Anodyne CC(C)(C)C(=O)C[C@]1(O)Oc2ccccc2N=C1/C=C(/O)C(C)(C)C ZINC000102780847 EI Annotated Anodyne C/C(O)=C1\C(=O)[C@H](CC(C)C)N(CC[C@@H](C)C/C=C/C(C)C)C1=O ZINC000102805937 EI Annotated Mild C/C(O)=C1\C(=O)[C@H](CC(C)C)N(CC[C@H](C)C/C=C/C(C)C)C1=O ZINC000102805940 EI Annotated Mild CCOC[C@@H]1C(=S)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 ZINC000102808793 EI Annotated Anodyne CCOC[C@H]1C(=S)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 ZINC000102808796 EI Annotated Anodyne COc1ccc([C@]23Cc4ccccc4[C@@H](O2)C2=C(CCCC2=O)O3)cc1 ZINC000102817181 EI Annotated Mild COc1ccc([C@@]23Cc4ccccc4[C@H](O2)C2=C(CCCC2=O)O3)cc1 ZINC000102817183 EI Annotated Mild Cn1c(O)c(/N=N/C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000102836852 EI Annotated Clean COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@H](/C=C\c1ccccc1)C2 ZINC000102853547 EI Annotated Anodyne COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@H](/C=C/c1ccccc1)C2 ZINC000102853550 EI Annotated Anodyne CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(F)c1 ZINC000102881672 EI Annotated Clean Clc1ccccc1-c1nnc2n1N/C(=C/Cc1ccccc1)S2 ZINC000102892696 EI Annotated Anodyne Cc1ccc(NC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1 ZINC000102909687 EI Annotated Anodyne CC[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 ZINC000102915142 EI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C=CC=C[C@@H]12 ZINC000102916895 EI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C=CC=C[C@@H]12 ZINC000102916898 EI Annotated Anodyne O=C(c1ccccc1)N1[C@@H]2CC[C@@H]1C(C(F)(F)F)=C2C(F)(F)F ZINC000102917366 EI Annotated Anodyne O=C(c1ccccc1)N1[C@H]2CC[C@H]1C(C(F)(F)F)=C2C(F)(F)F ZINC000102917370 EI Annotated Anodyne O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1cc2ccccc2cc1O ZINC000102920407 EI Annotated Clean Cc1ccc(C(=O)/C=C/c2cc(C)c3c(c2)[C@H]2OC[C@H](CO3)O2)cc1 ZINC000102926051 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2cc(C)c3c(c2)[C@@H]2OC[C@@H](CO3)O2)cc1 ZINC000102926053 EI Annotated Mild Cc1cc2oc(-c3ccc(N4CCCC4)cc3)c(O)c(=O)c2cc1C ZINC000102948256 EI Annotated Anodyne C=C(C(=O)OC)[C@H]1CC/C(C)=C/CC[C@@](C)(O)/C=C\C[C@@]2(C)O[C@@H]2C1 ZINC000102952536 EI Annotated Mild CCOc1ccc(/N=C/C=C(/O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000102958072 EI Annotated Mild O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1)N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1 ZINC000102970377 EI Annotated Anodyne O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1)N[C@@]12CCC[C@@H]1[C@H]1CC[C@H]2C1 ZINC000102970379 EI Annotated Anodyne O=C(N[C@]12CCC[C@H]1[C@H]1CC[C@H]2C1)N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1 ZINC000102970382 EI Annotated Anodyne O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1)N[C@@]12CCC[C@H]1[C@H]1CC[C@H]2C1 ZINC000102970384 EI Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccsc1 ZINC000102980951 EI Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccsc1 ZINC000102980954 EI Annotated Anodyne Cc1ccccc1C(=O)O[C@H]1OC(O)=C(Cl)/C1=N\c1ccccc1 ZINC000102981931 EI Annotated Mild Cc1ccccc1C(=O)O[C@@H]1OC(O)=C(Cl)/C1=N\c1ccccc1 ZINC000102981934 EI Annotated Mild COC1(OC)[C@]2(Cl)C3=CCCC=C3[C@]1(Cl)C(Cl)=C2Cl ZINC000102982987 EI Annotated Anodyne COC1(OC)[C@@]2(Cl)C3=CCCC=C3[C@@]1(Cl)C(Cl)=C2Cl ZINC000102982991 EI Annotated Anodyne Cc1[nH]n2c(=O)cc(-c3ccccc3Cl)nc2c1-c1ccccc1 ZINC000102996845 EI Annotated Anodyne COc1ccccc1CN[C@@H]1[C@@H]2CCN[C@]1(c1ccccc1)CC=C2C ZINC000103018093 EI Annotated Anodyne COc1ccccc1CN[C@@H]1[C@H]2CCN[C@@]1(c1ccccc1)CC=C2C ZINC000103018099 EI Annotated Anodyne CN1[C@H]2CC[C@H]1/C(=C/c1ccsc1)C(=O)/C2=C\c1ccsc1 ZINC000103026169 EI Annotated Mild Cc1nc2ccc3c(=O)cc(-c4ccc(N5CCCC5)cc4)oc3c2[nH]1 ZINC000103027233 EI Annotated Anodyne O=C(/N=N\c1c(O)[nH]c2ccc(Br)cc12)c1ccco1 ZINC000103052688 EI Annotated Clean O=C(/C=C(O)/C=C/c1ccc(O)cc1F)/C=C/c1ccc(O)cc1F ZINC000103075544 EI Annotated Mild CCOC(=O)C1=CN(Cc2ccccc2OC)C=C[C@@H]1c1ccccc1 ZINC000103081419 EI Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2OC)C=C[C@H]1c1ccccc1 ZINC000103081421 EI Annotated Anodyne Cn1c(-c2ccccc2)cs/c1=N/C(=O)c1ccc(Cl)cc1 ZINC000103083069 EI Annotated Anodyne C=C1C[C@]23C[C@@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000103090564 EI Annotated Mild CC(=N)/C(C#N)=C(\O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000103106913 EI Annotated Reactive COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 ZINC000103108733 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@]3(C=C4CO)CC[C@H]12 ZINC000103109991 EI Annotated Anodyne C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OC)[C@H]4CC[C@]3(C2)[C@H]1O ZINC000103109997 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@]1(CO1)C3 ZINC000103110003 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@@H](CC[C@H]12)C3 ZINC000103110015 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@H]4CO ZINC000103110018 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@@H]4CO ZINC000103110022 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](C=O)C3 ZINC000103110034 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](C=O)[C@@H](CC[C@H]12)C3 ZINC000103110037 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@H](C(=O)O)C3 ZINC000103110043 EI Annotated Anodyne COC(=O)CCN1CC[C@H]2C[C@H]1c1cc(-c3cccc(C)c3)ccc12 ZINC000103115421 EI Annotated Anodyne CSc1ccc(SCNC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000103131094 EI Annotated Mild CCO[P@](=O)(NC1CCCC1)Oc1ccc(C(F)(F)F)cn1 ZINC000103146048 EI Annotated Anodyne c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCCn2ccnc2)cc1 ZINC000103148631 EI Annotated Anodyne CC(C)CNc1c(-c2cccc(F)c2F)c(F)nc2nccnc12 ZINC000103166712 EI Annotated Anodyne CC(C)CNc1c(-c2cc(F)ccc2F)c(F)nc2nccnc12 ZINC000103166715 EI Annotated Anodyne O=C(CCC1CCCCC1)N/N=C\c1ccc(Br)cc1 ZINC000103167755 EI Annotated Reactive O=c1oc2cc(OCCCOc3ccc(Cl)cc3)ccc2s1 ZINC000103168246 EI Annotated Anodyne CCCCCC[C@H]1O[C@@H](OCCC)C=C(CN2CCCCC2)C1=O ZINC000103168914 EI Annotated Mild CCCCCC[C@@H]1O[C@@H](OCCC)C=C(CN2CCCCC2)C1=O ZINC000103168916 EI Annotated Mild CCCCCC[C@H]1O[C@H](OCCC)C=C(CN2CCCCC2)C1=O ZINC000103168918 EI Annotated Mild CCCCCC[C@@H]1O[C@H](OCCC)C=C(CN2CCCCC2)C1=O ZINC000103168920 EI Annotated Mild CCCCCC[C@H]1O[C@@H](OC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168922 EI Annotated Mild CCCCCC[C@@H]1O[C@@H](OC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168924 EI Annotated Mild CCCCCC[C@H]1O[C@H](OC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168925 EI Annotated Mild CCCCCC[C@@H]1O[C@H](OC(C)C)C=C(CN2CCCCC2)C1=O ZINC000103168928 EI Annotated Mild CCN(CC)C1CSC(C#N)(c2ccc(Cl)cc2)SC1 ZINC000103169080 EI Annotated Mild Cn1s/c(=N/c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000103169476 EI Annotated Anodyne CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3n2C)C1 ZINC000103169535 EI Annotated Anodyne COc1ccc([C@@H]2CC(c3ccccc3)=Cc3n[nH]c(O)c32)cc1OC ZINC000103169572 EI Annotated Anodyne COc1ccc([C@H]2CC(c3ccccc3)=Cc3n[nH]c(O)c32)cc1OC ZINC000103169574 EI Annotated Anodyne CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cccnc3s2)C1 ZINC000103170215 EI Annotated Anodyne CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3o2)C1 ZINC000103170219 EI Annotated Anodyne CCc1nn(C)c(C2=N[C@H](c3ccc(C(C)(C)C)cc3)CO2)c1Cl ZINC000103170591 EI Annotated Anodyne CCc1nn(C)c(C2=N[C@@H](c3ccc(C(C)(C)C)cc3)CO2)c1Cl ZINC000103170593 EI Annotated Anodyne CC(C)=C(c1ccccc1)N(CCOCC(F)(F)F)C(=O)CCl ZINC000103171143 EI Annotated Reactive CO[C@H](C1=NOCC1)c1ccccc1COc1cc(C)ccc1C ZINC000103171634 EI Annotated Anodyne CO[C@@H](C1=NOCC1)c1ccccc1COc1cc(C)ccc1C ZINC000103171636 EI Annotated Anodyne CCc1cc(C2=N[C@H](c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1 ZINC000103173695 EI Annotated Anodyne CCc1cc(C2=N[C@@H](c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1 ZINC000103173699 EI Annotated Anodyne CCCCCOc1ccc([C@@H]2COC(c3cc(CC)nn3C)=N2)cc1 ZINC000103173702 EI Annotated Anodyne CCCCCOc1ccc([C@H]2COC(c3cc(CC)nn3C)=N2)cc1 ZINC000103173703 EI Annotated Anodyne CO[C@H](C(=O)SC)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177343 EI Annotated Anodyne CO[C@@H](C(=O)SC)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177346 EI Annotated Anodyne CCCCCCCC[C@H]1O[C@@H](OC)C=C(CN2CCCCC2)C1=O ZINC000103177472 EI Annotated Mild CCCCCCCC[C@@H]1O[C@@H](OC)C=C(CN2CCCCC2)C1=O ZINC000103177475 EI Annotated Mild CCCCCCCC[C@H]1O[C@H](OC)C=C(CN2CCCCC2)C1=O ZINC000103177478 EI Annotated Mild CCCCCCCC[C@@H]1O[C@H](OC)C=C(CN2CCCCC2)C1=O ZINC000103177480 EI Annotated Mild CC[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103179495 EI Annotated Anodyne CC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103179497 EI Annotated Anodyne CC[C@@H](C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103179503 EI Annotated Anodyne CC[C@H](C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103179506 EI Annotated Anodyne CN(c1ccccc1)c1n/c(=N\c2ccc(Cl)cc2)sn1C ZINC000103179923 EI Annotated Anodyne Clc1ccccc1[C@H]1OCCc2c1noc2CO[C@@H]1CCCCO1 ZINC000103179956 EI Annotated Anodyne Clc1ccccc1[C@@H]1OCCc2c1noc2CO[C@@H]1CCCCO1 ZINC000103179958 EI Annotated Anodyne Clc1ccccc1[C@H]1OCCc2c1noc2CO[C@H]1CCCCO1 ZINC000103179961 EI Annotated Anodyne Clc1ccccc1[C@@H]1OCCc2c1noc2CO[C@H]1CCCCO1 ZINC000103179965 EI Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(-n3ccnc3)cc2)n1 ZINC000103179982 EI Annotated Anodyne O=C1C=C(/N=C\c2ccc(Cl)cc2Cl)c2ccccc2C1=O ZINC000103180859 EI Annotated Mild CC1=C(c2cccnc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 ZINC000103180984 EI Annotated Anodyne CC(C)(c1nc2ccccc2s1)N1CC=C(c2ccccc2)C1=O ZINC000103181078 EI Annotated Anodyne COc1ccc(-c2n/c(=N\c3ccc(Cl)cc3)sn2C)cc1 ZINC000103181261 EI Annotated Anodyne Cn1s/c(=N/c2ccc(Cl)cc2)nc1C(Cl)(Cl)Cl ZINC000103181268 EI Annotated Anodyne O=c1c2c(sn1-c1ccc(C(F)(F)F)cc1Cl)CCCC2 ZINC000103182058 EI Annotated Anodyne O=c1c2c(sn1-c1ccc(Cl)cc1C(F)(F)F)CCCC2 ZINC000103182063 EI Annotated Anodyne C[C@@H]1CCCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000103182143 EI Annotated Anodyne C[C@H]1CCCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000103182146 EI Annotated Anodyne Cn1nc2c(c1C(=O)SCc1ccc(C(C)(C)C)cc1)CCC2 ZINC000103182266 EI Annotated Anodyne CC[C@@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000103183778 EI Annotated Anodyne CC[C@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000103183781 EI Annotated Anodyne CNC(=O)[C@@H](OC)c1cccc(CSc2cc(C)ccc2C)c1 ZINC000103184588 EI Annotated Anodyne CNC(=O)[C@H](OC)c1cccc(CSc2cc(C)ccc2C)c1 ZINC000103184590 EI Annotated Anodyne CC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000103184980 EI Annotated Reactive O=C(N/N=C\c1ccc(Cl)cc1)c1cc2c(cn1)[nH]c1ccccc12 ZINC000103185184 EI Annotated Reactive COc1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 ZINC000103185276 EI Annotated Anodyne CN(C)c1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 ZINC000103185289 EI Annotated Anodyne Cc1nc(Oc2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1 ZINC000103185998 EI Annotated Anodyne Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@@H]3c1ccc(Cl)cc1 ZINC000103186035 EI Annotated Reactive Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@H]3c1ccc(Cl)cc1 ZINC000103186037 EI Annotated Reactive CCCOc1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1 ZINC000103186068 EI Annotated Anodyne CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)N=C2C)cc1 ZINC000103188210 EI Annotated Anodyne CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2C)cc1 ZINC000103188212 EI Annotated Anodyne Clc1ccc([C@H]2OCCc3c2noc3CO[C@@H]2CCCCO2)cc1 ZINC000103188416 EI Annotated Anodyne Clc1ccc([C@@H]2OCCc3c2noc3CO[C@@H]2CCCCO2)cc1 ZINC000103188419 EI Annotated Anodyne Clc1ccc([C@H]2OCCc3c2noc3CO[C@H]2CCCCO2)cc1 ZINC000103188421 EI Annotated Anodyne Clc1ccc([C@@H]2OCCc3c2noc3CO[C@H]2CCCCO2)cc1 ZINC000103188424 EI Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1 ZINC000103189157 EI Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccccc1 ZINC000103189160 EI Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1 ZINC000103189161 EI Annotated Reactive O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccccc1 ZINC000103189164 EI Annotated Reactive CCc1nn(C)c(C(=O)NCc2ccc([C@@H](C)CC)cc2)c1Cl ZINC000103189216 EI Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc([C@H](C)CC)cc2)c1Cl ZINC000103189218 EI Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(CC(C)(C)C)cc2)c1Cl ZINC000103189224 EI Annotated Anodyne O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC000103189389 EI Annotated Clean O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC000103189393 EI Annotated Clean CN(C)C1CSC(C#N)(c2c(Cl)cccc2Cl)SC1 ZINC000103190057 EI Annotated Mild CCCCCN1C(=O)[C@@]2(COc3cc(F)c(F)cc32)c2ccccc21 ZINC000103190997 EI Annotated Anodyne CCCCCN1C(=O)[C@]2(COc3cc(F)c(F)cc32)c2ccccc21 ZINC000103190999 EI Annotated Anodyne CN(C)C1CSC(C#N)(c2cc(Cl)cc(Cl)c2)SC1 ZINC000103191933 EI Annotated Mild O=Nc1cnc(Nc2cccc(CO)c2)nc1OCC1CCCCC1 ZINC000103192012 EI Annotated Anodyne CN(C)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC21CCCCC1 ZINC000103192117 EI Annotated Bother COCCN(C(=O)CCl)C(=C(C)C)c1ccc(C(C)(C)C)cc1 ZINC000103193388 EI Annotated Reactive CCCCCC/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCCC1 ZINC000103196205 EI Annotated Mild O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1 ZINC000103197823 EI Annotated Anodyne O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccccc1 ZINC000103197827 EI Annotated Anodyne COCCN(C(=O)CCl)C(=C(C)C)c1cccc2ccccc12 ZINC000103198691 EI Annotated Reactive O=c1oc2ccccc2cc1-c1ccc2c(=O)oc3ccccc3c2n1 ZINC000103198701 EI Annotated Bother CCCCCC/C(=N/S(=O)(=O)c1ccc(C)cc1)N(CC)CC ZINC000103198901 EI Annotated Mild CCN(CC)/C(=N\S(=O)(=O)c1ccc(C)cc1)C1CCCCC1 ZINC000103198903 EI Annotated Mild CC(C)CCc1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103199110 EI Annotated Anodyne O=[N+]([O-])c1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)cn2)cc1 ZINC000103199930 EI Annotated Bother O=c1nc(-c2c(Cl)cccc2Cl)on1-c1ccc(Cl)cc1 ZINC000103200150 EI Annotated Anodyne O=C1CCCCCCCCCC/C(=N\OCc2cccnc2)CCN1 ZINC000103200901 EI Annotated Mild CCOC(=O)c1cnn(-c2ccc3ccccc3n2)c1-c1ccccc1 ZINC000103201221 EI 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)CCCC ZINC000103202737 EI 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)CCCC ZINC000103202739 EI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)CCCC)[C@@H]3C[C@H]12 ZINC000103202742 EI Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CCCC)[C@@H]3C[C@H]12 ZINC000103202743 EI Annotated Mild COc1ccc(-c2cc(-c3cccs3)n3c(C)nnc3c2C#N)cc1 ZINC000103203278 EI Annotated Mild C[C@@H](NC(=O)C1(C)CC(F)(F)C1)c1ccc(Br)cc1 ZINC000103205772 EI Annotated Anodyne S=C1COc2ccccc2CN1c1ccc(Br)cc1 ZINC000103205941 EI Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)cc(-c2cc3ccccc3oc2=O)n1 ZINC000103206069 EI Annotated Anodyne N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@@H](c2ccccc2)N1 ZINC000103207008 EI Annotated Mild N#CCCCSC1=NC(c2ccc(N)cc2)=C[C@H](c2ccccc2)N1 ZINC000103207010 EI Annotated Mild O=C1CCCCCCCCCC/C(=N/OCc2cccnc2)CCN1 ZINC000103207845 EI Annotated Mild Cc1ccc(-c2nc(SSc3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000103209926 EI Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C ZINC000103212053 EI Annotated Anodyne Clc1ccc(COc2cccc3c2cnc2ncnn23)c(Cl)c1 ZINC000103212719 EI Annotated Anodyne COC(=O)c1ccccc1SSc1n[nH]c(-c2ccccc2)n1 ZINC000103213157 EI Annotated Reactive O=[N+]([O-])c1ccccc1SSc1n[nH]c(-c2ccccc2)n1 ZINC000103213167 EI Annotated Reactive C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)NCCN)[C@@H]2CC[C@@H]1C3 ZINC000103213982 EI Annotated Mild Cc1ccn2c(CN(C)C)c(-c3ccccc3Br)nc2c1 ZINC000103214683 EI Annotated Anodyne O=C(C(Cl)Cl)n1cc(-c2ocnc2Cl)c2ccccc21 ZINC000103215036 EI Annotated Reactive Nc1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1cccc(Cl)c1 ZINC000103215256 EI Annotated Anodyne C#C[C@@H](OC(=O)C[C@H]1[C@@H](/C=C/Br)C1(C)C)/C(C)=C/CC ZINC000103216071 EI Annotated Mild C#C[C@H](OC(=O)C[C@H]1[C@@H](/C=C/Br)C1(C)C)/C(C)=C/CC ZINC000103216073 EI Annotated Mild C=CCC1=C(C)[C@@H](COC(=O)C[C@H]2[C@@H](/C=C/Cl)C2(C)C)CC1=O ZINC000103216087 EI Annotated Mild C=CCC1=C(C)[C@H](COC(=O)C[C@H]2[C@@H](/C=C/Cl)C2(C)C)CC1=O ZINC000103216089 EI Annotated Mild C=C(C)n1c(=O)n(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000103216689 EI Annotated Mild CC1(C)C[C@H](OCCBr)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 ZINC000103218410 EI Annotated Reactive CCCc1nn2c([C@@H](C)c3ccc(CC(C)C)cc3)nnc2s1 ZINC000103218436 EI Annotated Anodyne CCCc1nn2c([C@H](C)c3ccc(CC(C)C)cc3)nnc2s1 ZINC000103218440 EI Annotated Anodyne CN(C)c1ccc(/C=C2/C=C(Cc3ccccc3)C(=O)O2)c(Cl)c1 ZINC000103219670 EI Annotated Clean Cc1nn(CC(F)(F)F)c(CSC2=NOC(C)(C)C2)c1Cl ZINC000103220285 EI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(C)(C)C)N(C(C)(C)C)[C@H]1C(C)(C)C ZINC000103221718 EI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(C)(C)C)N(C(C)(C)C)[C@@H]1C(C)(C)C ZINC000103221723 EI Annotated Anodyne Nc1oc2ccccc2c(=O)c1/C=N/Nc1cc(Cl)ccc1Cl ZINC000103222264 EI Annotated Mild CCCCCCCCNC1=C(C)C(=O)c2cccc(OC)c2C1=O ZINC000103222848 EI Annotated Mild Oc1cc(CSc2cccc(F)c2F)nc2c3ccccc3nn12 ZINC000103224616 EI Annotated Anodyne CCOC(=O)/C=C/C12c3ccccc3C(C[C@@H]1C#N)c1ccccc12 ZINC000103228124 EI Annotated Mild CCOC(=O)/C=C/C12c3ccccc3C(C[C@H]1C#N)c1ccccc12 ZINC000103228126 EI Annotated Mild CCOC(=O)CCC12c3ccccc3C(C[C@@H]1C#N)c1ccccc12 ZINC000103228129 EI Annotated Mild CCOC(=O)CCC12c3ccccc3C(C[C@H]1C#N)c1ccccc12 ZINC000103228133 EI Annotated Mild O=C(NC1CCC(O)CC1)N1c2ccccc2C=Cc2ccccc21 ZINC000103231485 EI Annotated Anodyne NC1CCC(NC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 ZINC000103231487 EI Annotated Anodyne Clc1cccc(CC2(Cc3nnn[nH]3)C3CC4CC(C3)CC2C4)c1 ZINC000103231605 EI Annotated Anodyne COc1c(C)[nH]c2ccc3c(c2c1=O)[C@@H]1CCC[C@@]3(c2ccccc2)O1 ZINC000103235280 EI Annotated Anodyne C/C(=C\c1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103235340 EI Annotated Mild C[C@](O)(CCl)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000103235380 EI Annotated Reactive C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccsc1)c1ccsc1)C2 ZINC000103235724 EI Annotated Bother C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000103236210 EI Annotated Mild O=C1Nc2ccccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1 ZINC000103236526 EI Annotated Anodyne O=C(/C(=C/c1ccc(Cl)cc1)n1cncn1)c1ccc(Cl)cc1 ZINC000103237240 EI Annotated Mild O=C(/C(=C/c1ccc(Cl)cc1)n1cncn1)c1ccc(F)cc1F ZINC000103237246 EI Annotated Mild Cc1cc(=O)c2c(o1)O[C@@]1(C)[C@@H](CC[C@H]3C(C)(C)C(=O)CC[C@@]31C)C2 ZINC000103239292 EI Annotated Anodyne Cc1nc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)ccc1C#N ZINC000103243316 EI Annotated Mild Nc1ncnc2c1oc1cc(-c3ccc(Cl)cc3Cl)cnc12 ZINC000103244343 EI Annotated Anodyne O=C1C=C(Nc2ccc(Br)cc2Br)CCC1 ZINC000103245148 EI Annotated Mild CCCCCc1ccc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)cc1 ZINC000103245274 EI Annotated Mild COc1ccc2c(c1)-c1cnc(n1C)OCCCCCCCCO2 ZINC000103245662 EI Annotated Anodyne NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000103246787 EI Annotated Anodyne O=S(=O)(/C=C/c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000103248115 EI Annotated Anodyne CC[C@H](C)n1ccnc1/C=C/C(=O)/C=C/c1nccn1[C@H](C)CC ZINC000103248373 EI Annotated Mild CC[C@@H](C)n1ccnc1/C=C/C(=O)/C=C/c1nccn1[C@H](C)CC ZINC000103248374 EI Annotated Mild CC[C@H](C)n1ccnc1/C=C/C(=O)/C=C/c1nccn1[C@@H](C)CC ZINC000103248375 EI Annotated Mild COc1ccccc1S(=O)(=O)/C=C/c1ccccc1C(F)(F)F ZINC000103249198 EI Annotated Anodyne COc1ccccc1S(=O)(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000103249200 EI Annotated Anodyne CC(C)n1ccnc1/C=C1\CCC/C(=C\c2nccn2C(C)C)C1=O ZINC000103250918 EI Annotated Mild CC[C@@H](Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000103251313 EI Annotated Anodyne CC[C@H](Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000103251316 EI Annotated Anodyne COc1ccc([S@](=O)/C=C/c2ccccc2C(F)(F)F)cc1 ZINC000103251829 EI Annotated Anodyne COc1ccc([S@@](=O)/C=C/c2ccccc2C(F)(F)F)cc1 ZINC000103251831 EI Annotated Anodyne COc1ccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)cc1 ZINC000103251833 EI Annotated Anodyne CCCC[C@@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C ZINC000103252397 EI Annotated Anodyne CCCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C ZINC000103252400 EI Annotated Anodyne Fc1ccc(NC(=S)c2ccco2)cc1-c1nc2ncccc2o1 ZINC000103259381 EI Annotated Anodyne Cc1cc(C)cc(Oc2cc(Nc3ccc(C#N)cc3)[nH]c(=O)c2)c1 ZINC000103259639 EI Annotated Mild Cc1ccc(C(=O)Nc2ccc(F)c(-c3nc4ncccc4o3)c2)o1 ZINC000103260158 EI Annotated Anodyne CSc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 ZINC000103261300 EI Annotated Anodyne CSc1ccc(-c2cc(NC[C@@H](O)c3ccccc3)ncn2)cc1 ZINC000103261303 EI Annotated Anodyne Nc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2Cl)o1 ZINC000103263230 EI Annotated Anodyne CCOc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2F)[nH]1 ZINC000103263243 EI Annotated Anodyne Nc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1 ZINC000103263960 EI Annotated Anodyne CCCCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000103264501 EI Annotated Clean CC(=O)N(C(C)=O)c1cccnc1SC12CC3CC(CC(C3)C1)C2 ZINC000103266079 EI Annotated Anodyne Brc1ccc2nc3cc(Nc4ccccc4)ncn3c2c1 ZINC000103266962 EI Annotated Anodyne CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1Sc1ccccc1 ZINC000103267510 EI Annotated Mild CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1Sc1ccccc1 ZINC000103267512 EI Annotated Mild C=CCc1cc(/C=C/C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000103267869 EI Annotated Mild CC(=O)N(C(C)=O)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1 ZINC000103269990 EI Annotated Anodyne O=C1[C@@H]([C@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103271876 EI Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103271878 EI Annotated Anodyne O=C1[C@@H]([C@@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103271880 EI Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103271881 EI Annotated Anodyne Clc1cc(Cl)cc(Nc2nnnc3ccc(Cl)nc23)c1 ZINC000103272000 EI Annotated Anodyne CSC(=S)/N=c1/sc(C)cn1-c1cccc(C(F)(F)F)c1 ZINC000103272291 EI Annotated Anodyne CCCC(=O)/N=c1\sc(C)cn1-c1cccc(C(F)(F)F)c1 ZINC000103272354 EI Annotated Anodyne CC1(C)C(Cl)(Cl)[C@]1(C)C(=O)NCCc1csc(Cl)c1 ZINC000103272409 EI Annotated Anodyne CC1(C)C(Cl)(Cl)[C@@]1(C)C(=O)NCCc1csc(Cl)c1 ZINC000103272411 EI Annotated Anodyne CC(C)[C@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl ZINC000103272413 EI Annotated Anodyne CC(C)[C@@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl ZINC000103272414 EI Annotated Anodyne CCC[C@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl ZINC000103272416 EI Annotated Anodyne CCC[C@@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl ZINC000103272417 EI Annotated Anodyne Cc1nc2ccccc2cc1C(=O)n1nc(C)c([C@@H]2CCCCO2)c1C ZINC000103273695 EI Annotated Anodyne Cc1nc2ccccc2cc1C(=O)n1nc(C)c([C@H]2CCCCO2)c1C ZINC000103273698 EI Annotated Anodyne CCCCCc1cn(-c2ccc(CC[N+]3(C)CCCCC3)cc2)nn1 ZINC000103275273 EI Annotated Bother CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cccc2cccnc12 ZINC000103275923 EI Annotated Anodyne O=c1c2ccccc2nc(NN=C2CCCCC2)n1Cc1ccccc1 ZINC000103275945 EI Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@@H](C)C1)C2c1ccccc1F ZINC000103276385 EI Annotated Mild C[C@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)C2c1ccccc1F ZINC000103276386 EI Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@@H](C)C1)C2c1cccc(F)c1 ZINC000103276391 EI Annotated Mild C[C@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)C2c1cccc(F)c1 ZINC000103276393 EI Annotated Mild CC[C@H]1O[C@@H]2c3sccc3CO[C@@H]2[C@H]1OCc1ccccc1F ZINC000103280280 EI Annotated Anodyne CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1cccc(F)c1 ZINC000103280342 EI Annotated Anodyne CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@H](C(C)C)[C@@H]1c1ccco1 ZINC000103280401 EI Annotated Anodyne CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@@H](C(C)C)[C@@H]1c1ccco1 ZINC000103280406 EI Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@H](O)[C@@]4(C)COC(C)=O)[C@@H]2CC[C@@H]1C3 ZINC000103281085 EI Annotated Mild CO/N=C(\c1ccon1)c1ccccc1COc1c(C)cccc1C ZINC000103281173 EI Annotated Mild CO/N=C(\c1ccon1)c1ccccc1COc1ccc(C)c(C)c1 ZINC000103281175 EI Annotated Mild N#Cc1c(-c2ccccc2)cc(Cl)n2c1nc1ccc(C(=O)O)cc12 ZINC000103281202 EI Annotated Mild CC[C@H]1O[C@@H]2c3sccc3CO[C@@H]2[C@H]1OCc1ccccc1C ZINC000103282014 EI Annotated Anodyne CC[C@H]1O[C@@H]2c3ccsc3CO[C@@H]2[C@H]1OCc1ccccc1C ZINC000103282016 EI Annotated Anodyne CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccccc1F ZINC000103282027 EI Annotated Anodyne CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccc(F)cc1 ZINC000103282117 EI Annotated Anodyne Cc1cc(C)c(S(=O)(=O)O)cc1/N=N/c1cc(C)c(O)c(C)c1 ZINC000103283659 EI Annotated Clean C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)N2CCN(CC)CC2)co1 ZINC000103283684 EI Annotated Anodyne Cc1cc(C)nc(-n2nc(-c3ccc(F)cc3)cc2C(F)(F)F)n1 ZINC000103283762 EI Annotated Anodyne O=C1OC2(CCCCC2)CN(Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC000103283910 EI Annotated Anodyne COc1ccccc1C(=O)n1cc(C)n(-c2ccccc2C)c1=S ZINC000103285357 EI Annotated Anodyne Cc1ccsc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000103287059 EI Annotated Clean Cc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 ZINC000103287062 EI Annotated Clean Clc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1 ZINC000103287363 EI Annotated Anodyne Clc1ccc(Nc2nc3c(N4CCCCC4)ncnc3s2)cc1 ZINC000103287385 EI Annotated Anodyne CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 ZINC000103287387 EI Annotated Anodyne O=c1[nH]cnc2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103289629 EI Annotated Anodyne O=c1[nH]cnc2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103289631 EI Annotated Anodyne O=c1[nH]cnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000103289633 EI Annotated Anodyne O=c1[nH]cnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000103289635 EI Annotated Anodyne CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC/C1=N\Nc1ccccc1 ZINC000103289661 EI Annotated Mild C[C@@]12CCCC(/C=N/Nc3ccccc3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103289736 EI Annotated Mild COc1ccc(C2=CCCCc3c2ccc(OC)c3OC)cc1OC ZINC000103291462 EI Annotated Anodyne COc1ccc(C2=CCCCc3c2ccc(OC)c3O)cc1OC ZINC000103291478 EI Annotated Anodyne COc1cccc2c1COc1cc(Nc3ccccc3N)ccc1C2=O ZINC000103293000 EI Annotated Anodyne CCCc1ccc2c(c1)sc(=O)n2CCCCN1CCCCC1 ZINC000103293216 EI Annotated Anodyne CCOC(=O)/N=c1/sc(CC)cn1-c1cccc(C(F)(F)F)c1 ZINC000103293706 EI Annotated Anodyne CO/N=C(\c1ccon1)c1ccccc1COc1cccc(Cl)c1 ZINC000103294467 EI Annotated Mild C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 ZINC000103294655 EI Annotated Anodyne C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 ZINC000103294661 EI Annotated Reactive O=C(c1ccccc1)c1ccc(NC(=S)c2ccc(O)cc2O)cc1 ZINC000103294914 EI Annotated Anodyne Nc1cccc2c(-c3cccc(NC(=O)c4nccs4)c3)ccnc12 ZINC000103296016 EI Annotated Anodyne Nc1nccc(-c2cn(Cc3ccc(Cl)s3)c3ccccc23)n1 ZINC000103297228 EI Annotated Anodyne Cc1csc(-c2coc3cc(OCC4CC4)cc(C)c3c2=O)n1 ZINC000103298657 EI Annotated Anodyne Cc1ccc2c(c1)O/C(=C\c1coc3cc(Cl)ccc3c1=O)C2=O ZINC000103299776 EI Annotated Mild Cc1ccc2c(c1)O/C(=C\c1coc3ccc(Cl)cc3c1=O)C2=O ZINC000103299780 EI Annotated Mild C[N+](C)(C)Cc1cn(Cc2ccc([N+](C)(C)C)cc2)c2ccccc12 ZINC000103300520 EI Annotated Clean Cc1nc(C)c(COC(=O)CCCC[C@@H]2CCSS2)nc1C ZINC000103300823 EI Annotated Reactive OCCN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 ZINC000103301409 EI Annotated Anodyne CC/C(=C\C(=O)c1ccncc1)Nc1ccc(Br)cc1 ZINC000103351223 EI Annotated Mild CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1ccc2ccccc2c1 ZINC000103429461 EI Annotated Mild CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)s1 ZINC000103521274 EI Annotated Anodyne CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)s1 ZINC000103521276 EI Annotated Anodyne Cc1nn2c(O)c3c(nc2c1-c1cccc2ccccc12)CCCC3 ZINC000103521284 EI Annotated Anodyne CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 ZINC000103521366 EI Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000103521368 EI Annotated Mild CCOC(=O)C1=C(O)/C(=C\c2ccc(Cl)cc2Cl)N=C1C ZINC000103522245 EI Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@H](c2ccccc2)/C1=C(/O)OC(C)C ZINC000103522639 EI Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccccc2)/C1=C(/O)OC(C)C ZINC000103522640 EI Annotated Mild CCCCOc1ccc(-c2nc(/C=N/c3cc(C)on3)c(O)o2)cc1 ZINC000103537911 EI Annotated Mild CCCC1=Nc2ncnn2[C@H](c2ccccc2Cl)/C1=C(/O)OCC ZINC000103539226 EI Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2ccccc2Cl)/C1=C(/O)OCC ZINC000103539232 EI Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000103539500 EI Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000103539504 EI Annotated Anodyne OCC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12 ZINC000103540702 EI Annotated Mild COC(=O)C1=C(O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)N=C1C ZINC000103541431 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)C(/C=N/C3CCCCC3)=C(O)C2)cc1 ZINC000103545506 EI Annotated Mild CO[C@@H]1C=C(O)[C@@H]2[C@@H]3[C@@H]4C[C@](C)([C@]21O)[C@@]3(C)[C@@]12CCC[C@@H]1CC[C@@H]4C2 ZINC000103575457 EI Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@@H]2[C@@H]3[C@H]4C[C@@H]5CC[C@H]6CC[C@@]5(C6)[C@]3(C)[C@](C)(C4)[C@]21O ZINC000103575469 EI Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@]34CC[C@H]5CCCC[C@H]5[C@]3(C)[C@](C)(CC4)[C@@]12O ZINC000103575494 EI Annotated Anodyne in-vitro biogenic CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000103580944 EI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000103580949 EI Annotated Mild Cc1ccc(-c2nc(CSc3nc4cc[nH]cc-4n3)c(C)o2)cc1 ZINC000103587825 EI Annotated Anodyne Cc1oc(-c2cccs2)nc1CSc1nc2cc[nH]cc-2n1 ZINC000103587905 EI Annotated Anodyne Cc1[nH]n([C@@H](C)C2CC2)c2nc(-c3cn(C)nc3-c3ccccc3)nc1-2 ZINC000103590196 EI Annotated Anodyne Cc1[nH]n([C@H](C)C2CC2)c2nc(-c3cn(C)nc3-c3ccccc3)nc1-2 ZINC000103590201 EI Annotated Anodyne CCCSCCCn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000103591138 EI Annotated Anodyne CC/N=c1\c(N/C(O)=N/c2cccc(C)c2)c(O)oc2ccccc12 ZINC000103632414 EI Annotated Mild CC/N=c1\c(/N=C(\O)Nc2ccc(C)cc2)c(O)oc2ccccc12 ZINC000103632662 EI Annotated Mild CC/N=c1\c(N/C(O)=N/c2ccccc2C)c(O)oc2ccccc12 ZINC000103632754 EI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)o1 ZINC000103635734 EI Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)o1 ZINC000103635739 EI Annotated Mild CCC/N=c1\c(/N=C(\O)c2cccc(C)c2)c(O)oc2ccccc12 ZINC000103637367 EI Annotated Mild CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000103639381 EI Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000103639386 EI Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(O)cc2)/C1=C(/O)OC(C)C ZINC000103640125 EI Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccc(O)cc2)/C1=C(/O)OC(C)C ZINC000103640129 EI Annotated Mild CCC/N=c1\c(N/C(O)=N/c2ccccc2)c(O)oc2ccccc12 ZINC000103655045 EI Annotated Mild Cc1cc2c(cc1C)N(Cc1cccc(F)c1)/C(=C1/C=CC=NC1=O)N2 ZINC000103657627 EI Annotated Anodyne O=C1N=CC=C/C1=C1\Nc2ccccc2N1Cc1cccc(Cl)c1 ZINC000103657634 EI Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000103666455 EI Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000103666460 EI Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000103666769 EI Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000103666774 EI Annotated Anodyne CCC/N=c1\c(/N=C(\O)Cc2cccs2)c(O)oc2ccccc12 ZINC000103668019 EI Annotated Mild CC/N=c1\c(/N=C(\O)Cc2ccc(F)cc2)c(O)oc2ccccc12 ZINC000103669853 EI Annotated Mild Cc1[nH]nc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(O)OCC1=N2 ZINC000103670464 EI Annotated Anodyne Cc1[nH]nc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)OCC1=N2 ZINC000103670467 EI Annotated Anodyne CCc1c(C)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c1=O ZINC000103726498 EI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 ZINC000103885126 EI Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(/C)CC[C@@H]12 ZINC000103886427 EI Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(/C)CC[C@H]12 ZINC000103886445 EI Annotated Mild COc1ccc(/C(O)=C/C=N/c2ccc(C(C)=O)cc2)cc1OC ZINC000103898945 EI Annotated Mild Cc1ccc(-n2[nH]c(C)c(/C=C3/C=Nc4ccccc43)c2=O)cc1C ZINC000103899641 EI Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cccc1C ZINC000103901232 EI Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cccc1C ZINC000103901238 EI Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(C)ccc1C ZINC000103901451 EI Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(C)ccc1C ZINC000103901453 EI Annotated Anodyne Cc1ccc2nc3c(O)n(CCc4ccc(Cl)cc4)cnc-3c2c1 ZINC000103903834 EI Annotated Anodyne O=C1C=CC=C/C1=C1/C[C@H](c2ccc(F)cc2)N(c2ccccc2)N1 ZINC000103917428 EI Annotated Mild O=C1C=CC=C/C1=C1/C[C@@H](c2ccc(F)cc2)N(c2ccccc2)N1 ZINC000103917430 EI Annotated Mild CC1=Nc2ccccc2/C1=C1\CSC(Nc2ccc(F)cc2)=NN1 ZINC000103917776 EI Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2Cl)CCC1 ZINC000103931197 EI Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2Cl)CCC1 ZINC000103931201 EI Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cccs2)/C1=C(\O)OC1CCCCC1 ZINC000103938814 EI Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccs2)/C1=C(\O)OC1CCCCC1 ZINC000103938820 EI Annotated Anodyne CN1CCC(n2nc(-c3ccccc3)c(Cc3ccccc3)c2O)CC1 ZINC000103939001 EI Annotated Anodyne O=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000103942092 EI Annotated Clean CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccccc1 ZINC000103954871 EI Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 ZINC000103954876 EI Annotated Anodyne C=CCn1c(/N=N/c2c(O)[nH]c3ccccc23)nc2ccccc2c1=O ZINC000103960270 EI Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2 ZINC000103968587 EI Annotated Clean Cc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)cc1 ZINC000103969492 EI Annotated Clean O=C(COc1cccc(Cl)c1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000103969938 EI Annotated Clean O=C(COc1ccc(Cl)cc1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000103969951 EI Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccccc2)[nH]n1 ZINC000103973962 EI Annotated Clean O=C1C=CC=C/C1=C1/N=C(/C=C/c2ccccc2)NN1c1ccccc1 ZINC000104000658 EI Annotated Mild COc1ccc(/C(N=O)=C2\NC=C(C(F)(F)F)C=C2Cl)cc1 ZINC000104003757 EI Annotated Anodyne C/C(NNc1cc(C(F)(F)F)ccc1Cl)=C1/C=CC=CC1=O ZINC000104004762 EI Annotated Mild O=C1C=Cc2ccccc2/C1=C/Nc1ccccc1Br ZINC000104012083 EI Annotated Mild O=C1C=C/C(=C2/Nc3ccccc3N2Cc2ccc(Cl)cc2)C=N1 ZINC000104018200 EI Annotated Anodyne O=C1C=C/C(=C2/Nc3ccccc3N2Cc2ccccc2Cl)C=N1 ZINC000104018206 EI Annotated Anodyne O=C1N=CC=C/C1=C1/Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000104021073 EI Annotated Anodyne Cc1cc2c(cc1C)N(Cc1ccccc1)/C(=C1\C=CC(=O)N=C1)N2 ZINC000104021138 EI Annotated Anodyne Cc1cc2c(cc1C)N(Cc1ccccc1F)/C(=C1\C=CC=NC1=O)N2 ZINC000104021155 EI Annotated Anodyne Cc1cc2c(cc1C)N(Cc1ccc(F)cc1)/C(=C1\C=CC=NC1=O)N2 ZINC000104021335 EI Annotated Anodyne COC1=C/C(=C2/CC(c3ccco3)=Nc3ccccc3N2)C(=O)C=C1 ZINC000104026303 EI Annotated Mild Oc1c2c(nc3c(-c4ccccc4)c(-c4ccccc4)nn13)CCC2 ZINC000104027334 EI Annotated Anodyne CCN(CC)C1=CC(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C=C1 ZINC000104027429 EI Annotated Mild CCN(CC)c1ccc(N/C=C2\C=C(Br)C=CC2=O)cc1 ZINC000104027551 EI Annotated Mild CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccncc1 ZINC000104027598 EI Annotated Anodyne CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccncc1 ZINC000104027602 EI Annotated Anodyne O=C(O[C@@H]1OC(O)=C(Cl)/C1=N/c1ccccc1)c1ccccc1F ZINC000104029929 EI Annotated Mild O=C(O[C@H]1OC(O)=C(Cl)/C1=N/c1ccccc1)c1ccccc1F ZINC000104029931 EI Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccccn1 ZINC000104033350 EI Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccccn1 ZINC000104033354 EI Annotated Mild CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1Cl ZINC000104060177 EI Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1Cl ZINC000104060182 EI Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@H](c2cccc(O)c2)/C1=C(\O)OC(C)C ZINC000104070965 EI Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(O)c2)/C1=C(\O)OC(C)C ZINC000104070970 EI Annotated Mild COc1cc([C@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)cc(Cl)c1O ZINC000104072768 EI Annotated Reactive COc1cc([C@@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)cc(Cl)c1O ZINC000104072770 EI Annotated Reactive CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000104075901 EI Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000104075904 EI Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000104075962 EI Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000104075965 EI Annotated Mild Cc1ccc(C)c(/N=C2/C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)c1 ZINC000104089854 EI Annotated Mild Cc1ccc(C)c(/N=C2/C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)c1 ZINC000104089859 EI Annotated Mild CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000104099783 EI Annotated Anodyne CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C2=C(O)C1 ZINC000104099787 EI Annotated Anodyne OCCCn1c(-c2ccccc2)cs/c1=N\c1cccc(Cl)c1 ZINC000104104265 EI Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(F)c1 ZINC000104115810 EI Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(F)c1 ZINC000104115814 EI Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 ZINC000104115819 EI Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000104115825 EI Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1F ZINC000104115882 EI Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1F ZINC000104115887 EI Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000104355639 EI Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000104355643 EI Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000104355646 EI Annotated Mild in-man biogenic C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000104355652 EI Annotated Mild in-man biogenic CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@]12C=C3C ZINC000104365362 EI Annotated Anodyne in-man CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@@H]3C[C@@]12C=C3C ZINC000104365367 EI Annotated Anodyne in-man CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104692131 EI Annotated Reactive CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104692133 EI Annotated Reactive Cc1ccc(-n2nc(C)c(/C=N/c3ccc4[nH]c(C)nc4c3)c2O)cc1 ZINC000104694788 EI Annotated Mild CC[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000105481241 EI Annotated Anodyne CC[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000105481245 EI Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C=CC=C[C@H]12 ZINC000105499343 EI Annotated Anodyne CC1(C)[C@@H]2C[C@H](Sc3nnnn3-c3ccccc3)[C@](C)(Cl)C[C@H]21 ZINC000105509882 EI Annotated Anodyne CCCCOC(=O)O[C@H]1CC[C@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C ZINC000105528123 EI Annotated Reactive CCCCOC(=O)O[C@H]1CC[C@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C ZINC000105528127 EI Annotated Reactive CCCCCCC[C@H]1C=CC(C)=C[C@H]2C(=O)[C@]1(O)C=C1C[C@H](O)C[C@@H]12 ZINC000105579119 EI Annotated Mild C#C/C=C\C[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl ZINC000110507976 EI Annotated Reactive C=C(C)C(=O)/C(Cl)=C\[C@](C)(Cl)[C@H](Br)CCl ZINC000111456421 EI Annotated Reactive CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000113255882 EI Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000113255883 EI Annotated Mild CC(=O)NC(C)(C)c1ccc(C#Cc2ccc(OC3CCC3)cc2)cc1 ZINC000113412201 EI Annotated Mild Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1 ZINC000113419783 EI Annotated Anodyne CCn1cc(-c2ccccc2)nc1CCc1nc2cc(C)cc(C)n2n1 ZINC000113419907 EI Annotated Anodyne Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3C)nc2n1 ZINC000113421716 EI Annotated Anodyne Cc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)cn12 ZINC000113422307 EI Annotated Anodyne CC(C)n1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1 ZINC000113422642 EI Annotated Anodyne Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3C(C)C)nn12 ZINC000113423380 EI Annotated Anodyne Cc1cccn2cc(CSc3nc(-c4ccccc4)cn3C)nc12 ZINC000113424226 EI Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)c[nH]3)nc2c1 ZINC000113425805 EI Annotated Anodyne NC1(c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)CCC1 ZINC000113657833 EI Annotated Anodyne Cc1ccc(Nc2cnc(N3CCCCC3)c(C)c2)c(C(=O)O)c1 ZINC000113898653 EI Annotated Anodyne N#Cc1cccc(CN2CCC[C@H](Nc3cccc4cnccc34)C2)c1 ZINC000114337566 EI Annotated Mild N#Cc1cccc(CN2CCC[C@@H](Nc3cccc4cnccc34)C2)c1 ZINC000114337568 EI Annotated Mild COc1cc2sc(-c3c(-c4cccs4)n[nH]c3N)nc2cc1F ZINC000114397954 EI Annotated Anodyne COc1cc2sc(-c3c(-c4ccccc4)n[nH]c3N)nc2cc1F ZINC000114398543 EI Annotated Anodyne Cc1nc(C2CCCCC2)nc(Nc2n[nH]c3ncc(F)cc23)c1C ZINC000114837996 EI Annotated Anodyne COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 ZINC000011612302 EI Annotated Anodyne COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 ZINC000011612303 EI Annotated Anodyne OC[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 ZINC000011689465 EI Annotated Bother C=CCCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 ZINC000011706958 EI Annotated Mild CCCOc1cncc(-c2cccc(CNc3cccnc3N)c2)c1 ZINC000011726157 EI Annotated Anodyne COc1cc2nc(Cl)nc(N(C)c3ccccc3)c2cc1OC ZINC000011756197 EI Annotated Anodyne O=C(C1CCCCC1)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011762983 EI Annotated Anodyne COc1cccc(-c2ccc(O)c(CN(C)C3CCCCC3)c2)n1 ZINC000011786184 EI Annotated Clean CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)C(C)C)cc1 ZINC000011790963 EI Annotated Anodyne O=C(CCC1CCN(C(=O)[C@H]2CC=CCC2)CC1)Nc1ccccc1 ZINC000011879339 EI Annotated Anodyne O=C(CCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1)Nc1ccccc1 ZINC000011879340 EI Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011934196 EI Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011934197 EI Annotated Anodyne CCCCc1nc2cc(C(=O)N(C)[C@@H](C)c3ccccn3)ccc2o1 ZINC000011938356 EI Annotated Anodyne CCCCc1nc2cc(C(=O)N(C)[C@H](C)c3ccccn3)ccc2o1 ZINC000011938357 EI Annotated Anodyne Cc1n(Cc2ccccc2C(F)(F)F)cc[n+]1Cc1ccccc1 ZINC000115107722 EI Annotated Anodyne COc1ccc(-c2cnc(Nc3ccccc3C)c3[nH]nc(N)c23)cc1 ZINC000115370823 EI Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)CNCC2[C@@H](c2ccccc2)C3)cc1 ZINC000116204079 EI Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 ZINC000116814643 EI Annotated Anodyne Cc1cc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2[nH]1 ZINC000117624502 EI Annotated Anodyne Cc1cc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2[nH]1 ZINC000117624504 EI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(F)cccc3CC[C@H]21 ZINC000117627093 EI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(F)cccc3CC[C@@H]21 ZINC000117627099 EI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(F)cccc3CC[C@H]21 ZINC000117627102 EI Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(F)cccc3CC[C@@H]21 ZINC000117627105 EI Annotated Anodyne N#Cc1cc(C(F)(F)F)c2[nH]c3c(c2c1)CCC[C@]3(O)C(F)(F)F ZINC000118721194 EI Annotated Anodyne N#Cc1cc(C(F)(F)F)c2[nH]c3c(c2c1)CCC[C@@]3(O)C(F)(F)F ZINC000118721196 EI Annotated Anodyne COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccoc3)oc2C)c1 ZINC000012029860 EI Annotated Anodyne COc1cccc([C@H](C)N(C)Cc2nc(-c3ccoc3)oc2C)c1 ZINC000012029863 EI Annotated Anodyne CC(C)=CCN1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000012034938 EI Annotated Anodyne CC(C)=CCN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000012034941 EI Annotated Anodyne Cc1ccc2c(c1)CN(C(=O)c1c(F)cccc1Cl)C[C@@H](C)O2 ZINC000012052195 EI Annotated Anodyne Cc1ccc2c(c1)CN(C(=O)c1c(F)cccc1Cl)C[C@H](C)O2 ZINC000012052198 EI Annotated Anodyne C[C@@H](NC(=O)CCc1nnc(C2CCCCC2)o1)c1ccc(F)cc1 ZINC000012072560 EI Annotated Anodyne C[C@H](NC(=O)CCc1nnc(C2CCCCC2)o1)c1ccc(F)cc1 ZINC000012072561 EI Annotated Anodyne COc1ccccc1[C@@H]1CN(Cc2cccnc2)Cc2ccccc2O1 ZINC000012127986 EI Annotated Anodyne COc1ccccc1[C@H]1CN(Cc2cccnc2)Cc2ccccc2O1 ZINC000012127993 EI Annotated Anodyne COc1cc2c(cc1C)C(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000012153862 EI Annotated Anodyne in-vitro biogenic Cc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3C)C2)s1 ZINC000012202914 EI Annotated Anodyne Cc1ccc(CN2CCC[C@](CO)(Cc3ccccc3C)C2)s1 ZINC000012202922 EI Annotated Anodyne Cc1ccccc1SC1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000012299349 EI Annotated Anodyne CN(Cc1ccon1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012306601 EI Annotated Anodyne COc1ccc(C(C)=O)cc1CON=C1CSCc2ccccc21 ZINC000012339814 EI Annotated Anodyne Cc1nn(C(C)(C)C)c(C)c1/C=N\OC(=O)Nc1ccc(Cl)cc1 ZINC000012339956 EI Annotated Mild Cc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000012352358 EI Annotated Anodyne CCONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000012354806 EI Annotated Anodyne COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 ZINC000012436524 EI Annotated Clean Cc1c(CN2CCc3c([nH]c4ccccc34)[C@@H]2CC(C)C)cnn1C ZINC000012454023 EI Annotated Anodyne Cc1c(CN2CCc3c([nH]c4ccccc34)[C@H]2CC(C)C)cnn1C ZINC000012454025 EI Annotated Anodyne Cc1nc([C@@H](C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1 ZINC000012456687 EI Annotated Anodyne Cc1nc([C@H](C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1 ZINC000012456690 EI Annotated Anodyne COc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2C)ccc1F ZINC000012474353 EI Annotated Anodyne CCCN1CCC(=O)N([C@H](CSc2ccccc2)CC(C)C)CC1 ZINC000012474526 EI Annotated Anodyne O=C1C=C/C(=C/C=C2/C=Cc3cccc(O)c3N2)C=C1Br ZINC000012474928 EI Annotated Mild O=c1c2ccccc2sc2ccc(C#CC3(O)CCCCC3)cc12 ZINC000012476701 EI Annotated Mild Nc1ccc(C#Cc2ccc3sc4ccccc4c(=O)c3c2)cc1 ZINC000012476956 EI Annotated Mild S=c1[nH]nc(-c2ccccn2)n1/N=C\c1cccc2ccccc12 ZINC000012485442 EI Annotated Mild N#Cc1ccc(N2Cc3ccccc3/C2=N/C(=O)c2cccs2)cc1 ZINC000012510760 EI Annotated Mild C/N=c1\scc(-c2c(-c3ccccc3)n(C)c3ccccc23)n1C ZINC000012563853 EI Annotated Anodyne Cc1c(C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)oc2c(F)cccc12 ZINC000012579031 EI Annotated Anodyne COCc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012587384 EI Annotated Anodyne COCc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)o1 ZINC000012587388 EI Annotated Anodyne Cc1ccc(NC(=O)CN2C[C@@H](C)S/C2=N/C2CCCCC2)cc1 ZINC000012624773 EI Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000012659053 EI Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000012659056 EI Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000012659059 EI Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000012659062 EI Annotated Anodyne Cc1cccc(C)c1OCc1cc(C(=O)N2CCCCCCC2)no1 ZINC000012714410 EI Annotated Anodyne C[C@H](C#Cc1ccc2c(c1)COc1c3ccccc3nn1-2)OC(C)(C)C ZINC000012726484 EI Annotated Mild C[C@@H](C#Cc1ccc2c(c1)COc1c3ccccc3nn1-2)OC(C)(C)C ZINC000012726486 EI Annotated Mild CCCc1nc2c(s1)CCc1onc(-c3cccc([N+](=O)[O-])c3)c1-2 ZINC000012726546 EI Annotated Bother Cc1ccc(C2=NO[C@@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000012726739 EI Annotated Anodyne Cc1ccc(C2=NO[C@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000012726742 EI Annotated Anodyne Brc1ccc(-c2csc(/N=C\N3CCCC3)n2)cc1 ZINC000012728176 EI Annotated Mild Cc1csc(CNc2nncc(-c3cccc4ccccc34)n2)n1 ZINC000012746190 EI Annotated Anodyne Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@H](C)c1ccon1 ZINC000012758656 EI Annotated Anodyne Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@@H](C)c1ccon1 ZINC000012758660 EI Annotated Anodyne Oc1ccc(Cl)cc1CN1CC[C@@]2(CCCN(CC3CCC3)C2)C1 ZINC000012836200 EI Annotated Clean Oc1ccc(Cl)cc1CN1CC[C@]2(CCCN(CC3CCC3)C2)C1 ZINC000012836202 EI Annotated Clean O=[N+]([O-])c1cc([C@@H]2SCc3nc4ccccc4n32)ccc1Cl ZINC000012942502 EI Annotated Bother O=[N+]([O-])c1ccc(Cl)cc1[C@H]1SCc2nc3ccccc3n21 ZINC000012942708 EI Annotated Bother Cc1nc2c(sc(=S)n2-c2ccccc2)c2nc3ncccc3n12 ZINC000012947145 EI Annotated Bother CNC(=O)OCc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12 ZINC000012953241 EI Annotated Bother C=CCn1c(O)c(/N=N\C(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000013114951 EI Annotated Mild N#C[C@@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2Cc1ccccn1 ZINC000013116338 EI Annotated Mild N#C[C@@]12CCCC[C@H]1C[C@@H]1CCCC[C@@]1(C#N)N2Cc1ccccn1 ZINC000013116340 EI Annotated Mild N#C[C@]12CCCC[C@H]1C[C@@H]1CCCC[C@@]1(C#N)N2Cc1ccccn1 ZINC000013116341 EI Annotated Mild N#C[C@@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2Cc1cccnc1 ZINC000013116346 EI Annotated Mild N#C[C@@]12CCCC[C@H]1C[C@@H]1CCCC[C@@]1(C#N)N2Cc1cccnc1 ZINC000013116348 EI Annotated Mild N#C[C@]12CCCC[C@H]1C[C@@H]1CCCC[C@@]1(C#N)N2Cc1cccnc1 ZINC000013116349 EI Annotated Mild Cc1nn(-c2ccccc2)c(S)c1/C=N\c1cccc([N+](=O)[O-])c1 ZINC000013118236 EI Annotated Mild Cc1ccc(NC(=O)CN2C[C@H](C)S/C2=N/C2CCCCC2)cc1 ZINC000013118917 EI Annotated Mild C[C@@H]1CCC[C@@H](C)N1N/C=C1\C=Nc2ccc(Br)cc21 ZINC000013119139 EI Annotated Anodyne C[C@H]1CCC[C@H](C)N1N/C=C1\C=Nc2ccc(Br)cc21 ZINC000013119142 EI Annotated Anodyne Fc1ccccc1-c1n[nH]c(=S)n1N/C=C1\C=Nc2ccccc21 ZINC000013120347 EI Annotated Anodyne CCn1c(C)nc2cc(C(=O)/N=N\c3c(O)[nH]c4ccccc34)ccc21 ZINC000013120530 EI Annotated Clean Cc1c(-c2ccccc2)n[nH]c1C(=O)/N=N/c1c(O)[nH]c2ccccc12 ZINC000013122209 EI Annotated Clean Cc1cc(C)c2[nH]c(O)c(/N=N\C(S)=N\C[C@@H]3CCCO3)c2c1 ZINC000013122277 EI Annotated Mild Fc1ccc(-c2n[nH]c(=S)n2N/C=C2\C=Nc3ccccc32)cc1 ZINC000013122615 EI Annotated Anodyne O=C1C=CC(=CC2=C3Nc4ccccc4C(C(=O)O)=C3CCC2)C=C1 ZINC000013122689 EI Annotated Mild CC[C@H]1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C ZINC000013123077 EI Annotated Anodyne CC[C@@H]1C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)n2N=C1C ZINC000013123078 EI Annotated Anodyne COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)c1 ZINC000013123513 EI Annotated Anodyne COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)c1 ZINC000013123514 EI Annotated Anodyne COc1cccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)c1 ZINC000013123515 EI Annotated Anodyne COc1cccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)c1 ZINC000013123516 EI Annotated Anodyne Cc1cc(O)cc(O)c1-c1onc(C(F)(F)F)c1-c1cscn1 ZINC000013124374 EI Annotated Anodyne Fc1c(F)c(F)c(NN/C=C2\C=Nc3ccccc32)c(F)c1F ZINC000013125154 EI Annotated Anodyne CC(=O)Nc1cc(/N=C/c2ccc(O)cc2O)c(Cl)cc1Cl ZINC000013126598 EI Annotated Mild COc1ccc(NC(=S)/N=N\c2c(O)[nH]c3ccccc23)cc1 ZINC000013130168 EI Annotated Clean CC(/C=C/c1ccco1)=N/NC(=O)CNc1ccc2ccccc2c1 ZINC000013132543 EI Annotated Reactive CC1(C)CC(=O)CC(=O)/C1=N\Nc1c(Cl)cc(Cl)cc1Cl ZINC000013132611 EI Annotated Mild COc1ccc(C/C(C)=N\N=C(\S)Nc2ccccc2F)cc1 ZINC000013133073 EI Annotated Mild C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)c1ccc2ccccc2c1 ZINC000013135852 EI Annotated Anodyne COc1cccc(NC(=S)N/N=C2/C[C@@H]3CC[C@@]2(C)C3(C)C)c1 ZINC000013139007 EI Annotated Mild CC(C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c21 ZINC000013139110 EI Annotated Reactive CC(C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c21 ZINC000013139111 EI Annotated Reactive Cc1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nc1 ZINC000013141384 EI Annotated Anodyne CSc1ccc(C=NNC(=O)CNc2ccc3ccccc3c2)cc1 ZINC000013143892 EI Annotated Anodyne aggregator CC[C@@H](C)/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC ZINC000013150699 EI Annotated Mild CC[C@H](C)/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC ZINC000013150700 EI Annotated Mild O=c1c(Sc2ccccc2)c(C(F)(F)F)[nH]n1-c1ccccc1 ZINC000013153279 EI Annotated Anodyne CCCN(/N=N\c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000013154823 EI Annotated Clean CC1(C)OCN(c2ccc(Cl)cc2)Cn2c1nc1ccccc12 ZINC000013214715 EI Annotated Anodyne CCCN(CCC)C(=O)c1c(Cl)c2cccnc2n2c(C)cnc12 ZINC000013214801 EI Annotated Anodyne CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1CO ZINC000013215341 EI Annotated Anodyne CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1CO ZINC000013215353 EI Annotated Anodyne CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1CO ZINC000013215369 EI Annotated Anodyne CNC(=O)OCc1c2ccncc2c(C)c2c1[nH]c1ccc(OC)cc12 ZINC000013221024 EI Annotated Bother O=[N+]([O-])c1ccc2nc3n(c2c1)[C@@H](c1c(F)cccc1F)SC3 ZINC000013222648 EI Annotated Bother O=[N+]([O-])c1ccc2nc3n(c2c1)[C@H](c1c(F)cccc1F)SC3 ZINC000013222667 EI Annotated Bother C/C=C(/C)C(=O)O[C@H]1C[C@H](C)c2c(c(O)c3occ(C)c3c2C)C1=O ZINC000013299885 EI Annotated Anodyne CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1)OC[C@H]4C ZINC000013300200 EI Annotated Mild in-vitro biogenic C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCCC(C)(C)C1=CC3=O ZINC000013300213 EI Annotated Mild CCc1ccc(/C(C)=N/Nc2nc(O)cc(-c3ccccc3)n2)cc1 ZINC000013302201 EI Annotated Mild CO[C@]1(C(C)C)C=C2C(=O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000013303407 EI Annotated Mild CO[C@@]1(C(C)C)C=C2C(=O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000013303410 EI Annotated Mild COc1c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c1C(C)=O ZINC000013307725 EI Annotated Anodyne in-vitro biogenic CC(C)=CCc1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 ZINC000013311228 EI Annotated Anodyne COc1c(O)cc2cc1-c1cc(ccc1O)CCCCC(=O)CC2 ZINC000013311595 EI Annotated Anodyne C=CCCCCCCCCCCCC(=O)C[C@@H](O)COC(C)=O ZINC000013327071 EI Annotated Mild in-man endogenous C=CCCCCCCCCCCCC(=O)C[C@H](O)COC(C)=O ZINC000013327073 EI Annotated Mild in-man endogenous COC(=O)c1c(O)cc(O)c(CC=C(C)C)c1CCc1ccccc1 ZINC000013334649 EI Annotated Anodyne C=CCc1cc2c(c3c1O[C@H](c1ccc(O)c(OC)c1)[C@H]3C)OCO2 ZINC000013340049 EI Annotated Mild C=CCc1cc2c(c3c1O[C@H](c1ccc4c(c1)OCO4)[C@H]3C)OCO2 ZINC000013340056 EI Annotated Mild COc1cccc2c1[C@@H](OC)n1c-2c2c3c(cc(C)cc31)C=CC2=O ZINC000013366684 EI Annotated Mild COc1cc(CC[N+](C)(C)[O-])c2ccc3ccccc3c2c1OC ZINC000013374019 EI Annotated Bother COc1cc(/C=C/C=C/C=C/C=C/c2[nH]ccc2Cl)oc(=O)c1 ZINC000013374750 EI Annotated Anodyne COc1nc2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4 ZINC000013374891 EI Annotated Bother C[C@@](Cl)(/C=C/Br)[C@H](Cl)/C=C/C(C=O)=C\Cl ZINC000013379402 EI Annotated Reactive CC(=O)OCC/C(C)=C(Cl)/C=C/[C@](C)(Cl)CBr ZINC000013379408 EI Annotated Reactive CC(=O)OCC/C(C)=C(Cl)/C=C/[C@@](C)(Cl)CBr ZINC000013379409 EI Annotated Reactive C=C[C@@](C)(Cl)[C@@H](Cl)/C=C/C(C)=C/C[C@@H](O)C(=C)CC(=O)O ZINC000013379419 EI Annotated Reactive in-vitro biogenic C=CC(C)(C)c1[nH]c2cc(Br)ccc2c1CCN(C)C=O ZINC000013379455 EI Annotated Mild O=C(O)CCCC#CC#C/C=C/CCCC/C=C/C#CBr ZINC000013379743 EI Annotated Mild CC1(C)C=CC(=O)[C@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)O1 ZINC000013382366 EI Annotated Reactive C=CCc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 ZINC000013383554 EI Annotated Mild C=CCc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2 ZINC000013383555 EI Annotated Mild COC(=O)c1cc2c([nH]c3ccccc32)c(=O)c2c1[nH]c1ccccc12 ZINC000013384230 EI Annotated Bother C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C(=O)O)CC/C=C(/C)CC[C@@H]12 ZINC000013384735 EI Annotated Mild CC(=O)CC[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC1=CCOC1=O ZINC000013385464 EI Annotated Anodyne COC(=O)[C@]1(C)CC(=O)C2=C(c3ccoc3)C[C@@]3(C)C2=C1CC[C@@H]3C ZINC000013385599 EI Annotated Mild CCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C(Cl)=C(O)C3=O ZINC000013386497 EI Annotated Mild COC(=O)C[C@@](C)(O)CCc1cc2c(c(C)c1C)CCCC2(C)C ZINC000013387758 EI Annotated Anodyne CC1=CC(=O)O[C@@H]1C[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 ZINC000013401942 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H]1CCOC1=O ZINC000013403258 EI Annotated Anodyne in-vitro biogenic CC(C)=C(CCc1ccc2c(c1)C(=O)C=CC2=O)[C@@H](C)CCCO ZINC000013407866 EI Annotated Mild CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@H]1[C@@H]2C ZINC000013424859 EI Annotated Anodyne CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@H]1[C@@H]2C ZINC000013424860 EI Annotated Anodyne CC(C)(O)CCC[C@@]1(C)C=Cc2cc(O)c(Br)cc2O1 ZINC000013430762 EI Annotated Anodyne C=C(C)[C@H](O)CC[C@]1(C)C=Cc2cc(O)c(Br)cc2O1 ZINC000013430764 EI Annotated Mild C/C(=C\Cc1cc(O)c(Br)cc1O)CCCC(C)(C)O ZINC000013430769 EI Annotated Anodyne COc1ccc(C(=O)CCc2ccc(O)cc2)c2c1CCC(C)(C)O2 ZINC000013435101 EI Annotated Anodyne CCc1nc(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000013436278 EI Annotated Anodyne COc1c(C(=O)c2ccc3c(c2)OCO3)oc2c1ccc1occc12 ZINC000013436881 EI Annotated Anodyne COc1ccc2c(nc(Nc3c(C)cccc3C)c3cncn32)c1OC ZINC000013441526 EI Annotated Anodyne O=[N+]([O-])c1c(Br)cccc1-c1c[nH]cc1Br ZINC000013449803 EI Annotated Bother CC(=O)NC(CCCC#C/C=C/Cl)CCCC#C/C=C/Cl ZINC000013451652 EI Annotated Mild CC(C)c1c(O)c(O)c2c(c1C=O)[C@@H](O)[C@H]1C(C)(C)CCC[C@@]21C ZINC000013451899 EI Annotated Clean CCN1CCCC[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000013453495 EI Annotated Anodyne C=CCN1CCCC[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000013453507 EI Annotated Mild COC(=O)/C1=C/CC/C(C)=C/[C@H]2OCC(C)=C2CC[C@]2(C)O[C@H]2CC1 ZINC000013454434 EI Annotated Anodyne C[C@H]1[C@@H]2O[C@@H](c3ccoc3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C ZINC000013454962 EI Annotated Anodyne CCCCCC(=O)CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 ZINC000013460219 EI Annotated Anodyne CC(=O)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 ZINC000013460251 EI Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(OC)OC(=O)C(C)=C1C ZINC000013462763 EI Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 ZINC000013463114 EI Annotated Clean in-vitro biogenic O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccco1 ZINC000013466563 EI Annotated Clean O=C(O)c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]23)cc1 ZINC000013471372 EI Annotated Clean C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2/C=C/C=N/OCCN ZINC000013471898 EI Annotated Mild Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1 ZINC000013472067 EI Annotated Anodyne CC1(C)CC(=O)c2c(SCCO)sc(-c3ccccn3)c2C1 ZINC000013472687 EI Annotated Anodyne CC(=O)/C(=N\Nc1ccccc1Cl)N(C)c1cccc(Cl)c1 ZINC000013473561 EI Annotated Mild CC(=O)/C(=N\c1cccc(C(F)(F)F)c1)NNc1ccccc1C ZINC000013473579 EI Annotated Mild CSc1cccc(N/C(=N/Nc2ccccc2Cl)C(C)=O)c1 ZINC000013473586 EI Annotated Mild CC(=O)/C(=N\c1cccc(C)c1)NNc1ccccc1C(F)(F)F ZINC000013473590 EI Annotated Mild CC(=O)/C(=N\c1cccc(F)c1)NNc1ccccc1C(F)(F)F ZINC000013473591 EI Annotated Mild Oc1noc(C2CCNCC2)c1Cc1ccc(-c2ccccc2)cc1 ZINC000013473974 EI Annotated Anodyne Oc1noc(C2CCNCC2)c1C(c1ccccc1)c1ccccc1 ZINC000013473979 EI Annotated Anodyne Oc1noc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1 ZINC000013473980 EI Annotated Anodyne C=C(C)OC(=O)N1c2cc(Cl)ccc2NC(=S)[C@@H]1CSC ZINC000013474532 EI Annotated Mild CCCCSc1nc([C@@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000013474570 EI Annotated Anodyne CCCCSc1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000013474571 EI Annotated Anodyne Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4ccccc4Cl)nc32)c1C ZINC000013475199 EI Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(C)(C)C)cc3)nn12 ZINC000013475520 EI Annotated Anodyne C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C ZINC000013477390 EI Annotated Anodyne C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C ZINC000013477393 EI Annotated Anodyne C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc(F)cc2)=NO1 ZINC000013478334 EI Annotated Anodyne C[C@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc(F)cc2)=NO1 ZINC000013478336 EI Annotated Anodyne Cc1ccc(C2=NO[C@@](C)(c3nnc(-c4ccc(F)cc4)o3)C2)cc1 ZINC000013478363 EI Annotated Anodyne Cc1ccc(C2=NO[C@](C)(c3nnc(-c4ccc(F)cc4)o3)C2)cc1 ZINC000013478365 EI Annotated Anodyne O=C1S[C@@H](Cc2ccc3ccccc3c2)C(=O)N1Cc1ccoc1 ZINC000013479515 EI Annotated Anodyne O=C1S[C@H](Cc2ccc3ccccc3c2)C(=O)N1Cc1ccoc1 ZINC000013479516 EI Annotated Anodyne COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1cccc(O)c1-2 ZINC000013480520 EI Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1Cc1ccc(O)cc1)-c1c(O)cccc1CC2 ZINC000013480522 EI Annotated Anodyne in-vitro biogenic CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1C=C2 ZINC000013480772 EI Annotated Clean CCOc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1 ZINC000013482054 EI Annotated Mild O=C1/C(=N\c2cccc(O)c2)C(N2CCCCC2)=C(O)c2ccccc21 ZINC000013483040 EI Annotated Mild COc1c(O)c2c(c3c1CCOC3=O)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000013483222 EI Annotated Anodyne Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1 ZINC000013487064 EI Annotated Anodyne O[C@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21 ZINC000013491120 EI Annotated Anodyne O[C@@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21 ZINC000013491121 EI Annotated Anodyne CNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 ZINC000013491311 EI Annotated Anodyne O=C1NCCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23 ZINC000013491949 EI Annotated Anodyne O=C1NCCc2c(-c3cccc(C(F)(F)F)c3)[nH]c3cccc1c23 ZINC000013491952 EI Annotated Anodyne CC(C)c1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1 ZINC000013492005 EI Annotated Anodyne Clc1ccc2c(c1)C(NCCc1ccccn1)=Nc1cccnc1N2 ZINC000013492097 EI Annotated Anodyne Cc1ccc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc1 ZINC000013492451 EI Annotated Anodyne Cc1ccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc1 ZINC000013492452 EI Annotated Anodyne CCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1 ZINC000013492892 EI Annotated Anodyne CCOc1ccc(CC(=N)C2=C(O)CC(C)(C)CC2=O)cc1OCC ZINC000013496352 EI Annotated Mild CC1(C)CN(C2=CCCC2=O)c2cc(Br)ccc2S1 ZINC000013525456 EI Annotated Mild Cn1c2c(c3ccccc31)CN(CCCOCc1ccccc1)CC2 ZINC000013526495 EI Annotated Anodyne CCCCN(CCCC)C(=O)/C(=C\[C@@H]1CCCN1)c1ccccc1 ZINC000013529976 EI Annotated Anodyne CCCCN(CCCC)C(=O)/C(=C\[C@H]1CCCN1)c1ccccc1 ZINC000013529978 EI Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2 ZINC000013532034 EI Annotated Anodyne CN1CCCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1 ZINC000013532236 EI Annotated Anodyne FC(F)(F)c1ccccc1-c1cccc2c1N1CCNCC[C@H]1C2 ZINC000013535462 EI Annotated Anodyne FC(F)(F)c1ccccc1-c1cccc2c1N1CCNCC[C@@H]1C2 ZINC000013535466 EI Annotated Anodyne CCOc1cccc(-c2cc(Cl)cc3c2N2CCNCC[C@H]2C3)c1 ZINC000013535471 EI Annotated Anodyne CCOc1cccc(-c2cc(Cl)cc3c2N2CCNCC[C@@H]2C3)c1 ZINC000013535474 EI Annotated Anodyne CCOc1ccc(-c2cc(Cl)cc3c2N2CCNCC[C@H]2C3)cc1 ZINC000013535478 EI Annotated Anodyne CCOc1ccc(-c2cc(Cl)cc3c2N2CCNCC[C@@H]2C3)cc1 ZINC000013535483 EI Annotated Anodyne Clc1cc2c(c(-c3ccccc3Cl)c1)N1CCNCC[C@H]1C2 ZINC000013535496 EI Annotated Anodyne Clc1cc2c(c(-c3ccccc3Cl)c1)N1CCNCC[C@@H]1C2 ZINC000013535500 EI Annotated Anodyne CCCCOc1c(C(=O)c2c(C)cc(C)cc2C)cnc2[nH]ncc12 ZINC000013535804 EI Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(C)c1=O ZINC000013536156 EI Annotated Anodyne FC(F)(F)c1ccc(-c2nc(S)n(Cc3ccccc3)n2)cc1 ZINC000013536830 EI Annotated Anodyne Sc1nc(-c2ccccc2Br)nn1Cc1ccccc1 ZINC000013536874 EI Annotated Anodyne CCN(CC)CCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 ZINC000013553565 EI Annotated Anodyne CCN(CC)CCCN1C(=O)Nc2ccccc2[C@H]1c1ccccc1 ZINC000013553566 EI Annotated Anodyne CCN1CCC(N2C(=O)Nc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000013553573 EI Annotated Anodyne CCN1CCC(N2C(=O)Nc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000013553574 EI Annotated Anodyne CCCN1CCC(N2C(=O)Nc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000013553575 EI Annotated Anodyne CCCN1CCC(N2C(=O)Nc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000013553576 EI Annotated Anodyne Cc1cccc(-c2nc(NC(=O)NOc3ccccc3)cs2)c1 ZINC000013553627 EI Annotated Anodyne O=c1cc(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]1 ZINC000013556520 EI Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)nc(SC(C)C)[nH]c1=O ZINC000013556522 EI Annotated Anodyne CCO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 ZINC000013557128 EI Annotated Anodyne CCO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 ZINC000013557130 EI Annotated Anodyne ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 ZINC000013557254 EI Annotated Anodyne CCN1CC/C(=C\c2cc(C(C)C)c(O)c(C(C)C)c2)S1(=O)=O ZINC000013558291 EI Annotated Anodyne Oc1ccc(Cl)cc1-n1cnnc1-c1ccc(C(F)(F)F)cc1 ZINC000013558798 EI Annotated Anodyne CCCCCCN(CCCCCC)C(=O)[C@H](CC)N1CCCC1=O ZINC000013559006 EI Annotated Anodyne CN1C=N[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl ZINC000013559438 EI Annotated Anodyne COc1ccccc1/N=C/c1c(C)nn(-c2ccc(C)cc2C)c1O ZINC000013570679 EI Annotated Mild Nc1nnc2c([nH]c3ccc(Br)cc32)c1-c1ccccc1 ZINC000013580548 EI Annotated Anodyne CCn1c(O)c(/N=N\C(=O)CNc2ccc(C)cc2)c2ccccc21 ZINC000013581674 EI Annotated Clean Cc1nc2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nn2c(C)c1C ZINC000013585015 EI Annotated Anodyne NCCCCN(CCCCN)Cc1c2ccccc2cc2ccccc12 ZINC000013585473 EI Annotated Bother Cc1nccc2c1[nH]c1cc(OCCOC(=O)c3ccccc3)ccc12 ZINC000013587095 EI Annotated Anodyne Cc1nccc2c1[nH]c1cc(OCC(=O)OCc3ccccc3)ccc12 ZINC000013587096 EI Annotated Anodyne Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1 ZINC000013587418 EI Annotated Anodyne Cc1ccccc1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC000013587422 EI Annotated Anodyne N#Cc1cnc(NC(=O)OCc2ccc(Cl)c(Cl)c2)s1 ZINC000013588553 EI Annotated Mild COc1cccc(-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000013589625 EI Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2cccs2)c(F)c1 ZINC000013596438 EI Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)[C@H](C)c2cccs2)c(F)c1 ZINC000013596442 EI Annotated Anodyne CCN(CC)CC1=N[C@@](C)(c2ccccc2)c2ccccc2CN1C ZINC000013600346 EI Annotated Anodyne CCN(CC)CC1=N[C@](C)(c2ccccc2)c2ccccc2CN1C ZINC000013600348 EI Annotated Anodyne CN(C)CCNc1nc2c3ccc(O)cc3ccc2c2ccccc12 ZINC000013600436 EI Annotated Bother CN(C)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 ZINC000013601070 EI Annotated Clean CN(C)Cc1ccc(COC(=O)C2c3ccccc3-c3ccccc32)o1 ZINC000013602047 EI Annotated Anodyne CN(C)Cc1ccc(COC(=O)C(c2ccccc2)c2ccccc2)o1 ZINC000013602050 EI Annotated Anodyne Cn1c(-c2ccccc2)c(/C=C/c2cccs2)[n+]2c1SCC2 ZINC000013602549 EI Annotated Anodyne CC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1 ZINC000013607789 EI Annotated Anodyne Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1Cl ZINC000013607812 EI Annotated Anodyne CC1(C)C[C@@H](NC(=S)NCc2ccccc2)c2cc(F)ccc2O1 ZINC000013608342 EI Annotated Anodyne CC1(C)C[C@H](NC(=S)NCc2ccccc2)c2cc(F)ccc2O1 ZINC000013608345 EI Annotated Anodyne Cn1c(-c2ccccc2)nc2c(Sc3ccc(F)cc3)ncnc21 ZINC000013608635 EI Annotated Anodyne CN(C)C[C@@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 ZINC000013611468 EI Annotated Anodyne CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 ZINC000013611470 EI Annotated Anodyne CCc1cc2cc(C(=O)[C@@H]3COc4ccccc4O3)ccc2nc1C ZINC000013613066 EI Annotated Anodyne CCc1cc2cc(C(=O)[C@H]3COc4ccccc4O3)ccc2nc1C ZINC000013613069 EI Annotated Anodyne COc1ccc(-c2n[nH]cc2CN[C@@H](C)Cc2ccsc2)c(F)c1 ZINC000013637181 EI Annotated Anodyne COc1ccc(-c2n[nH]cc2CN[C@H](C)Cc2ccsc2)c(F)c1 ZINC000013637185 EI Annotated Anodyne CCOc1ccc(N[C@@H](C(=O)c2cccn2C)c2ccccc2)cc1 ZINC000013645934 EI Annotated Anodyne CCOc1ccc(N[C@H](C(=O)c2cccn2C)c2ccccc2)cc1 ZINC000013645937 EI Annotated Anodyne CCO/C(O)=C(\c1ccnc(Cl)n1)c1nc2ccccc2s1 ZINC000013647680 EI Annotated Anodyne CCc1cccc2c1[C@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2 ZINC000013648584 EI Annotated Bother CCc1cccc2c1[C@@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2 ZINC000013648587 EI Annotated Bother COc1ccc(C[C@@H]2c3c(Cl)cccc3CC[N+]2(C)C)cc1OC ZINC000013648606 EI Annotated Bother COc1ccc(C[C@H]2c3c(Cl)cccc3CC[N+]2(C)C)cc1OC ZINC000013648608 EI Annotated Bother COc1ccc(C[C@@H]2c3cccc(Cl)c3CC[N+]2(C)C)cc1OC ZINC000013648615 EI Annotated Bother COc1ccc(C[C@H]2c3cccc(Cl)c3CC[N+]2(C)C)cc1OC ZINC000013648618 EI Annotated Bother CN(C)CCSc1nc(-c2ccco2)cc(-c2cccs2)n1 ZINC000013649260 EI Annotated Anodyne N#CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000013650265 EI Annotated Reactive C=CCc1cc(C(=O)c2ccccc2)c(O)cc1OCCCCC#N ZINC000013650599 EI Annotated Mild C/C(=N\Nc1nnc(Nc2ccccc2Cl)s1)c1ccccn1 ZINC000013650694 EI Annotated Mild C/N=C(\S)[C@]1(c2ccc(Cl)c(Cl)c2)CCCC[S@]1=O ZINC000013650980 EI Annotated Mild C/N=C(\S)[C@]1(c2ccc(Cl)c(Cl)c2)CCCC[S@@]1=O ZINC000013650981 EI Annotated Mild C/N=C(\S)[C@]1(c2cc(Cl)cc(Cl)c2)CCCC[S@]1=O ZINC000013650982 EI Annotated Mild C/N=C(\S)[C@]1(c2cc(Cl)cc(Cl)c2)CCCC[S@@]1=O ZINC000013650983 EI Annotated Mild C/N=C(\S)[C@]1(c2ccc(-c3ccccc3)cc2)CCCC[S@]1=O ZINC000013650996 EI Annotated Mild C/N=C(\S)[C@]1(c2ccc(-c3ccccc3)cc2)CCCC[S@@]1=O ZINC000013650997 EI Annotated Mild COc1cc(SC)ccc1-c1nc2cc(-n3ccnc3)ccc2[nH]1 ZINC000013651248 EI Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@](C)(CSc1ccc(O)cc1)O2 ZINC000013652080 EI Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CSc1ccc(O)cc1)O2 ZINC000013652081 EI Annotated Anodyne CN(C(=O)c1cc2cc(O)ccc2n1C)c1cccc(C(F)(F)F)c1 ZINC000013652178 EI Annotated Anodyne C=C1CC[C@H](C)[C@](C)(CCC2=CCOC2=O)C/C=C\C=C/1C(=O)O ZINC000013660052 EI Annotated Mild C=C1CC[C@@H](C)[C@@](C)(CCC2=CCOC2=O)C/C=C\C=C/1C(=O)O ZINC000013660055 EI Annotated Mild O=[P@@]1(Oc2ccccc2)CC=C[C@H](COCc2ccccc2)O1 ZINC000013661056 EI Annotated Anodyne O=[P@]1(Oc2ccccc2)CC=C[C@H](COCc2ccccc2)O1 ZINC000013661059 EI Annotated Anodyne C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nnn[nH]1 ZINC000013672529 EI Annotated Anodyne C[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nnn[nH]1 ZINC000013672531 EI Annotated Anodyne Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1 ZINC000013673523 EI Annotated Anodyne Oc1ccc(-c2cn(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1 ZINC000013674389 EI Annotated Anodyne CN(C[C@@H](O)c1ccccc1)c1cc(=O)c2ccc3ccccc3c2o1 ZINC000013676939 EI Annotated Bother CN(C[C@H](O)c1ccccc1)c1cc(=O)c2ccc3ccccc3c2o1 ZINC000013676941 EI Annotated Bother CN(c1ccccc1)[C@@H]1c2ccccc2N/C(=N\CCCO)C1(C)C ZINC000013678600 EI Annotated Mild Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(O)c3)cc2c(=O)[nH]1 ZINC000013679442 EI Annotated Anodyne Cc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12 ZINC000013680015 EI Annotated Anodyne FC(F)(F)c1ccc(/C=N/N=C(/S)NC2CCCCC2)cc1 ZINC000013683454 EI Annotated Mild FC(F)(F)c1cccc(/C=N/N=C(/S)NC2CCCCC2)c1 ZINC000013683488 EI Annotated Mild CCN(CCCNCCCN)Cc1c2ccccc2cc2ccccc12 ZINC000013685294 EI Annotated Bother COC(=O)[C@@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 ZINC000013685710 EI Annotated Anodyne COC(=O)[C@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 ZINC000013685712 EI Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl ZINC000013687125 EI Annotated Clean O=C1C[C@H](c2ccco2)CC(O)=C1/C=N/c1cc(Cl)ccc1O ZINC000013719021 EI Annotated Mild CN(C)Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1 ZINC000013727664 EI Annotated Anodyne CN(C)Cc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000013727689 EI Annotated Anodyne CC(C)(C)c1cc(-c2nsc(NC#N)n2)cc(C(C)(C)C)c1O ZINC000013727695 EI Annotated Anodyne CCN(CC[C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000013728367 EI Annotated Anodyne CCN(CC[C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000013728370 EI Annotated Anodyne CC(C)(C)c1cc(/C=C2\CC(=S)NC2=O)cc(C(C)(C)C)c1O ZINC000013734158 EI Annotated Anodyne CN(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O ZINC000013735565 EI Annotated Anodyne O=C1NC(=O)c2cc(NC3CCCCC3)c(NC3CCCCC3)cc21 ZINC000013735579 EI Annotated Anodyne COc1cccc([C@@]23CCN(C)[C@@H](C2)/C(=C\c2ccccc2)C(=O)C3)c1 ZINC000013738628 EI Annotated Mild COCC(=O)N(O)[C@@H](C)c1ccc2oc(-c3ccccc3)cc2c1 ZINC000013738974 EI Annotated Anodyne COCC(=O)N(O)[C@H](C)c1ccc2oc(-c3ccccc3)cc2c1 ZINC000013738975 EI Annotated Anodyne ClCCCN1CC[C@H]2c3c(Br)cccc3CC[C@H]21 ZINC000013740511 EI Annotated Reactive COc1ccc(Br)c2c1CC[C@H]1[C@H](c3ccncc3)[C@@H]21 ZINC000013741594 EI Annotated Anodyne COc1ccc(Br)c2c1CC[C@@H]1[C@H](c3ccncc3)[C@H]21 ZINC000013741595 EI Annotated Anodyne COc1ccc(Cl)cc1-c1nc(CN(C)Cc2ccccc2)c[nH]1 ZINC000013741822 EI Annotated Anodyne CN(C)CCSc1nc2ccccc2c2c1COc1ccccc1-2 ZINC000013742140 EI Annotated Anodyne CCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C ZINC000013742255 EI Annotated Anodyne Cc1ccc2c(c1NC(=O)C(C)(C)Cc1ccccc1)OCCC2=O ZINC000013742733 EI Annotated Anodyne Cc1cccc(Cc2nc(SC3CCCCC3)[nH]c(=O)c2C)c1 ZINC000013742873 EI Annotated Anodyne CSc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 ZINC000013743206 EI Annotated Anodyne O=C1c2cc(O)ccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21 ZINC000013743564 EI Annotated Clean CC(=O)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 ZINC000013743631 EI Annotated Clean COc1cccc([C@]23CCN(C)[C@H](C2)/C(=C\c2ccccc2)C(=O)C3)c1 ZINC000013744410 EI Annotated Mild CC(=O)Nc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2 ZINC000013744829 EI Annotated Anodyne CCCN(c1ccncc1)n1ccc2cc(Br)ccc21 ZINC000013745948 EI Annotated Anodyne CN(C)CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 ZINC000013758606 EI Annotated Anodyne CN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 ZINC000013758616 EI Annotated Anodyne COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(C)cccc23)cc1 ZINC000013758869 EI Annotated Anodyne Cc1cccc2c1n(C(C)C)c(=O)c1c(-c3ccc(F)cc3)ncn12 ZINC000013758871 EI Annotated Anodyne O=C(N1CCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21 ZINC000013758878 EI Annotated Anodyne CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccccc3)c2C1(C)C ZINC000013758911 EI Annotated Anodyne CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1 ZINC000013759956 EI Annotated Anodyne C=CCN(CC=C)c1nc(C)nc(Nc2c(CC)cccc2CC)n1 ZINC000013759960 EI Annotated Mild O[C@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C2=NCCCCN21 ZINC000013760579 EI Annotated Anodyne O[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C2=NCCCCN21 ZINC000013760580 EI Annotated Anodyne CCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 ZINC000013762008 EI Annotated Clean CC(C)(C)c1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 ZINC000013762018 EI Annotated Clean CCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 ZINC000013762024 EI Annotated Clean CCCCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 ZINC000013762026 EI Annotated Clean CC(C)CCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 ZINC000013762032 EI Annotated Clean Oc1cc2c(cc1O)[C@@H]1c3cc(-c4ccccc4)sc3CN[C@H]1CC2 ZINC000013762036 EI Annotated Clean CC(C)(C)c1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 ZINC000013762051 EI Annotated Clean NC(=O)N(O)Cc1sc2ccccc2c1Sc1ccccc1 ZINC000013762743 EI Annotated Anodyne CCc1cccc(N(C)C(=N)Nc2ccccc2Br)c1 ZINC000013776044 EI Annotated Anodyne CCCC[C@@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C ZINC000013776433 EI Annotated Anodyne COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1 ZINC000013777036 EI Annotated Anodyne COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1 ZINC000013777039 EI Annotated Anodyne Cn1c2c(c3cc(Cl)ccc31)[C@H](CNC(=O)C1CCC1)CCC2 ZINC000013777836 EI Annotated Anodyne Cn1c2c(c3cc(Cl)ccc31)[C@@H](CNC(=O)C1CCC1)CCC2 ZINC000013777837 EI Annotated Anodyne CC[C@]1(C)CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1C ZINC000013778374 EI Annotated Anodyne CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1 ZINC000013780123 EI Annotated Anodyne in-vivo CCCOc1ccc2[nH]c3cnc(N=C=S)c(COC)c3c2c1 ZINC000013780124 EI Annotated Reactive C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@H]1CCOC1=O ZINC000013780198 EI Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H]1CCOC1=O ZINC000013780199 EI Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 ZINC000013780209 EI Annotated Mild CCC[C@@H](NC(=O)N1C(=O)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000013780475 EI Annotated Anodyne CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 ZINC000013782815 EI Annotated Anodyne CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCC2CCCCC2)C1 ZINC000013782834 EI Annotated Anodyne CCN1CC=C(c2ccccc2)[C@H](C(=O)OCC2CCCCC2)C1 ZINC000013782835 EI Annotated Anodyne CC/C(=N\C1CC(C)(C)NC(C)(C)C1)C1=C(O)CC(C)(C)CC1=O ZINC000013783258 EI Annotated Mild CN(CCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1 ZINC000013794306 EI Annotated Anodyne CN(CCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1 ZINC000013794309 EI Annotated Anodyne Cc1ccc(C)n1-c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 ZINC000013795402 EI Annotated Clean CN(C)CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 ZINC000013805866 EI Annotated Anodyne in-vitro C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000013806406 EI Annotated Anodyne C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000013806409 EI Annotated Anodyne Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1 ZINC000013808833 EI Annotated Anodyne Clc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1 ZINC000013808849 EI Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013813473 EI Annotated Anodyne Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccccc2)c1 ZINC000013813606 EI Annotated Anodyne aggregator Cc1cc2c(c(C)c1Cl)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000013813946 EI Annotated Anodyne aggregator Cc1cc2c(c(C)c1Cl)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000013813950 EI Annotated Anodyne aggregator OC[C@@H]1[C@@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccccc1 ZINC000013814016 EI Annotated Anodyne aggregator CC[C@@H](COc1cnc(Cl)c(/C=C/c2ccncc2)c1)N(C)C ZINC000013819645 EI Annotated Anodyne CCOC(=O)C1=CC[C@@H](CCC(c2ccccc2)c2ccccc2)NC1 ZINC000013823741 EI Annotated Anodyne CCOC(=O)C1=CC[C@H](CCC(c2ccccc2)c2ccccc2)NC1 ZINC000013823743 EI Annotated Anodyne COC(=O)C[C@@H]1Oc2ccc(C)cc2-n2cc(-c3ccc(C)cc3)nc21 ZINC000013828534 EI Annotated Anodyne COC(=O)C[C@H]1Oc2ccc(C)cc2-n2cc(-c3ccc(C)cc3)nc21 ZINC000013828535 EI Annotated Anodyne CNC(=O)[C@]1(C(F)(F)F)C[C@H](CCC2CCCCC2)CCCO1 ZINC000013829063 EI Annotated Anodyne COc1ccc2c(c1)[C@H]1CN(C)[C@@H]2Cc2ccc(Br)cc21 ZINC000013831951 EI Annotated Anodyne CC1(C)C=C(N2CCCCC2=O)c2cc(Br)ccc2C1=O ZINC000013832173 EI Annotated Anodyne C[C@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 ZINC000013833048 EI Annotated Anodyne O=C(NC1CCCCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833785 EI Annotated Anodyne CCCC[C@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C ZINC000013834831 EI Annotated Anodyne CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 ZINC000013834945 EI Annotated Anodyne Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 ZINC000013834964 EI Annotated Anodyne Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 ZINC000013834965 EI Annotated Anodyne Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 ZINC000013835013 EI Annotated Anodyne Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccn3)nc(N)c12 ZINC000013835469 EI Annotated Anodyne Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccncc3)nc(N)c12 ZINC000013835470 EI Annotated Anodyne Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccnc3)nc(N)c12 ZINC000013835491 EI Annotated Anodyne FC(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000013858640 EI Annotated Anodyne Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)N1CCCc1cccnc1 ZINC000013861345 EI Annotated Anodyne C[C@@H](c1c[nH]cn1)c1scc(Br)c1Br ZINC000013862250 EI Annotated Anodyne CC[C@@H](C)Sc1nc([C@@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000013863476 EI Annotated Anodyne CC[C@H](C)Sc1nc([C@@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000013863477 EI Annotated Anodyne CC[C@@H](C)Sc1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000013863478 EI Annotated Anodyne CC[C@H](C)Sc1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000013863479 EI Annotated Anodyne COCc1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1 ZINC000013864631 EI Annotated Anodyne O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1 ZINC000013864642 EI Annotated Anodyne Cc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1 ZINC000013864643 EI Annotated Anodyne CCCc1noc(-c2ccc(C(=O)NC[C@@H]3CCCC3(C)C)cc2)n1 ZINC000013864690 EI Annotated Anodyne CCCc1noc(-c2ccc(C(=O)NC[C@H]3CCCC3(C)C)cc2)n1 ZINC000013864691 EI Annotated Anodyne c1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@@H]2CCCO2)cc1 ZINC000013865455 EI Annotated Anodyne COc1ccccc1/C=C1\CC[C@](Cc2ccccc2)(CN(C)C)C1=O ZINC000013904794 EI Annotated Mild COc1ccccc1/C=C1\CC[C@@](Cc2ccccc2)(CN(C)C)C1=O ZINC000013904795 EI Annotated Mild CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)CN2C=C1 ZINC000013977872 EI Annotated Anodyne CC1=CC=CC2=NC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)CN12 ZINC000013977874 EI Annotated Anodyne CNCCC[C@H]1Cc2ccccc2N(c2cccc(Cl)c2)C1=O ZINC000013978118 EI Annotated Anodyne CCC[C@]1(CC(=O)O)OCCc2c1sc1c(C)cc(F)c(C#N)c21 ZINC000013980182 EI Annotated Mild CCC[C@]1(CC(=O)O)OCCc2c1sc1c(C)ccc(C#N)c21 ZINC000013980184 EI Annotated Mild CCC[C@@]1(CC(=O)O)OCCc2c1sc1c(C)cc(F)c(C#N)c21 ZINC000013980194 EI Annotated Mild CCSC[C@](C)(O)c1[nH]c2cc(C(F)(F)F)c(C#N)cc2c1C ZINC000013986357 EI Annotated Mild CC1(C)Cc2c(ccc3ccccc23)C(CC(=O)N2CCCCC2)=N1 ZINC000135857741 EI Annotated Anodyne Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@@H]2CCCC[C@H]2C3)cc1 ZINC000136069481 EI Annotated Anodyne Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@H]2CCCC[C@H]2C3)cc1 ZINC000136069523 EI Annotated Anodyne CS/C=C\C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000136393185 EI Annotated Mild C#C/C=C\C[C@H]1O[C@@H](CC)[C@@H](Br)C/C=C\C[C@H]1Cl ZINC000136409543 EI Annotated Reactive C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(O)c(OC)c1)O2 ZINC000136417201 EI Annotated Clean CC(C)(C)c1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000136449196 EI Annotated Anodyne COc1cccc([C@]23CCN(C)[C@@H](C2)/C(=C\c2ccccc2)C(=O)C3)c1 ZINC000136555300 EI Annotated Mild COC(=O)[C@H]1CO[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@H]21 ZINC000136600678 EI Annotated Anodyne C=C1CC[C@@H]2C(=C(C)C)C(=O)C[C@@]2(C)C[C@H]2O[C@]2(C)CC[C@H]1OO ZINC000136670299 EI Annotated Reactive O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccc(Cl)cc1 ZINC000136709137 EI Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)C/C=C\C=C/1C(=O)OC ZINC000136783544 EI Annotated Mild C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\SC)[C@@H]2C ZINC000136787981 EI Annotated Mild C[C@]12C[C@H]3O[C@H]3C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 ZINC000136799210 EI Annotated Anodyne C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 ZINC000136799241 EI Annotated Anodyne CCO[C@H]1C[C@@H](c2coc3ccccc3c2=O)N(c2ccccc2)O1 ZINC000136825710 EI Annotated Anodyne N#Cc1ccc(CNc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1 ZINC000136861397 EI Annotated Anodyne COc1c(O)cc2cc1Oc1ccc(cc1)CCCC[C@@H](O)/C=C\2 ZINC000137121182 EI Annotated Anodyne C#C/C=C/C[C@@H](Cl)[C@H]1CC=CC[C@@H]([C@@H](Br)CC)O1 ZINC000137159166 EI Annotated Reactive CO[C@H]1O[C@H]2OC(=O)[C@H](C)C3=C([C@@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32 ZINC000137177632 EI Annotated Anodyne Oc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCOCC1 ZINC000137216321 EI Annotated Anodyne Oc1ccc2ccccc2c1[C@H](c1cccs1)N1CCOCC1 ZINC000137216368 EI Annotated Anodyne COc1ccc2c(c1C(C)C)CC[C@@H]1C(C)(C)C(=O)CC(=O)[C@]21C ZINC000137394730 EI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O ZINC000137522910 EI Annotated Anodyne CCc1cc2c(ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c32)s1 ZINC000137548723 EI Annotated Anodyne C#C/C=C\C[C@@H](Cl)[C@H]1CC=C[C@H](CBr)[C@H](CC)O1 ZINC000137598874 EI Annotated Reactive CCC(=O)C(CC/C=C/CCc1ccc(NC(C)=O)cc1)C(=O)CC ZINC000137666159 EI Annotated Anodyne C#C/C=C/C[C@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@H]1Cl ZINC000137707070 EI Annotated Reactive CC[C@@H](C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000137712229 EI Annotated Anodyne COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)C(=O)CC(=O)[C@]21C ZINC000137782170 EI Annotated Anodyne COc1cc2c(cc1C(C)C)CC[C@@H]1C(C)(C)C(=O)CC(=O)[C@]21C ZINC000137782387 EI Annotated Anodyne COc1ccc2c(c1)C/C(=C\C1CCN(Cc3ccccc3)CC1)C2=O ZINC000137817655 EI Annotated Mild Cc1ccc(NC(=S)Nc2sc3c(c2C(=O)O)CCCC3)cc1 ZINC000137863119 EI Annotated Anodyne O=NC=C1C=CN(C/C=C/C[n+]2ccc(-c3ccccc3)cc2)C=C1 ZINC000138312149 EI Annotated Anodyne O=NC=C1C=CN(C/C=C/C[n+]2ccc(Cc3ccccc3)cc2)C=C1 ZINC000138312247 EI Annotated Anodyne CC(=O)Oc1ccc(CCc2cc(O)cc(O)c2)cc1CC=C(C)C ZINC000138372647 EI Annotated Anodyne C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O ZINC000138386981 EI Annotated Mild Cc1c2c(c(C)n1-c1ccc(Cl)cc1)[C@](C)(C(N)=O)CC2(C)C ZINC000138396296 EI Annotated Anodyne C[C@@H]1CCC2=C(CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000138408918 EI Annotated Anodyne CCC[C@]1(CC)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138567738 EI Annotated Anodyne CCC[C@@]1(CC)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138567866 EI Annotated Anodyne CCC(=O)N1c2ccccc2[C@]23CCN4CCC[C@](CC)(CC[C@@H]12)[C@@H]43 ZINC000138583737 EI Annotated Anodyne Fc1ccc([C@]23CCC[C@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 ZINC000138651531 EI Annotated Reactive NNc1nc(-c2cccs2)nc2scc(-c3cccs3)c12 ZINC000138652601 EI Annotated Anodyne S/C(=N/c1ccc(Br)cc1)N/N=C/c1cccs1 ZINC000138722296 EI Annotated Anodyne COc1ccc2nc3occc3c(OC)c2c1/C=C/C(C)(C)OC ZINC000138808554 EI Annotated Anodyne Oc1cnccc1CCCOc1cccnc1Oc1cccc(F)c1 ZINC000138862646 EI Annotated Anodyne Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2 ZINC000138865331 EI Annotated Anodyne C=C(C(=O)O)[C@@H]1C[C@@H]2O[C@H]1C/C(C)=C\CC/C(C)=C\CC[C@@]2(C)O ZINC000139024024 EI Annotated Mild C/C(=C\Cc1cc(O)ccc1O)CCc1c(C)cc(O)c(CO)c1C ZINC000139125890 EI Annotated Anodyne CC(C)CNc1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139196459 EI Annotated Anodyne C#C/C=C/C[C@H]1O[C@@H](CC)[C@@H](Br)C/C=C\C[C@H]1Cl ZINC000139231235 EI Annotated Reactive CC(=O)Oc1ccc([C@H](OC(C)=O)c2cccc3ccccc23)cc1 ZINC000139317358 EI Annotated Anodyne CC(=O)Oc1ccc([C@@H](OC(C)=O)c2cccc3ccccc23)cc1 ZINC000139317456 EI Annotated Anodyne CC(=O)Oc1ccc([C@H](OC(C)=O)c2ccc3ccccc3c2)cc1 ZINC000139317579 EI Annotated Anodyne CC(=O)Oc1ccc([C@@H](OC(C)=O)c2ccc3ccccc3c2)cc1 ZINC000139317704 EI Annotated Anodyne c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1 ZINC000139330438 EI Annotated Anodyne COc1ccc2c(c1)C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 ZINC000139368991 EI Annotated Mild C=CC(=O)CC(=O)C[C@H](c1ccc(O)cc1)c1ccc2cc[nH]c2c1 ZINC000139416585 EI Annotated Mild C=CC(=O)CC(=O)C[C@@H](c1ccc(O)cc1)c1ccc2cc[nH]c2c1 ZINC000139416714 EI Annotated Mild COC(=O)C1=CC=CC2=C(CC[C@@H](C)[C@]2(C)CCC2=CCOC2=O)C1 ZINC000139508524 EI Annotated Anodyne C=C(C)[C@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@]3(CC1)OO2 ZINC000139620120 EI Annotated Reactive Cn1c2ccccc2c2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c21 ZINC000139629494 EI Annotated Bother COc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1 ZINC000139697757 EI Annotated Anodyne COc1ccc2c(c1)sc1ccccc1n(C(C)=O)n2C(C)=O ZINC000139701800 EI Annotated Bother NC1=N[C@@H](CCc2ccc(Nc3cccc4ccccc34)cc2)CO1 ZINC000139755530 EI Annotated Anodyne C=C/C=C/C[C@H]1O[C@](Br)(CBr)CC[C@H]1C ZINC000139798805 EI Annotated Reactive COC1=Cc2cc(OC)c(O)c3ccc(-c4ccccc4)c(c23)C1=O ZINC000139874365 EI Annotated Mild CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 ZINC000014276644 EI Annotated Reactive CC/C=C(C)\C=C\CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 ZINC000014276647 EI Annotated Reactive CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)OC)OO1 ZINC000014276653 EI Annotated Reactive COc1cc2c(c3c1[C@H](O)C[C@@H](c1ccccc1)O3)C=COC2(C)C ZINC000014439336 EI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@H]12 ZINC000014439717 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@@H](CO)C3 ZINC000014443152 EI Annotated Anodyne COc1c(Cc2ccc(O)cc2)c(O)cc2c1-c1ccc(O)cc1CC2 ZINC000014444048 EI Annotated Anodyne in-vitro biogenic COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2 ZINC000014444088 EI Annotated Anodyne in-vitro biogenic COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2 ZINC000014444090 EI Annotated Anodyne in-vitro biogenic C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C(COC(=O)/C(C)=C/C)[C@@H]2C1 ZINC000014451853 EI Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 ZINC000014452929 EI Annotated Anodyne Cc1coc2c1C[C@]1(C)[C@@H](C)CCC[C@]1(OC(=O)CC(C)C)C2=O ZINC000014453014 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC(=O)C[C@H](C)[C@]21C ZINC000014453041 EI Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000014453543 EI Annotated Mild in-man endogenous C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000014453544 EI Annotated Mild in-man endogenous C/C=C(\C)C(=O)OC/C1=C\CC/C(C)=C/[C@H]2OC(=O)C(C)=C2CC1 ZINC000014453556 EI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000014486023 EI Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 ZINC000014486534 EI Annotated Mild OCc1cccc(Oc2c(O)cccc2CCc2ccc(O)cc2)c1 ZINC000014491182 EI Annotated Anodyne COC/C(=C/C(=O)O)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000014499597 EI Annotated Mild C#C/C=C/C[C@@H](Cl)[C@H]1CC=CC[C@@H](Br)[C@@H](CC)O1 ZINC000140104726 EI Annotated Reactive C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl ZINC000140122414 EI Annotated Reactive C=C[C@](C)(O)CC[C@]1(O)[C@@H](C)CC[C@@H]2C(C(C)(C)OO)=CC[C@]21C ZINC000140211108 EI Annotated Reactive C=C[C@](C)(O)CC[C@@]1(O)[C@@H](C)CC[C@@H]2C(C(C)(C)OO)=CC[C@]21C ZINC000140211251 EI Annotated Reactive CC1(C)O[C@@](C)(/C=C/Cl)[C@@H](Br)C[C@@H]1Br ZINC000140311361 EI Annotated Reactive O=N/C=C1\C=CN(C/C=C/CN2C=C/C(=C\N=O)C(F)=C2)C=C1F ZINC000140328797 EI Annotated Anodyne Clc1ccccc1CCc1nc2ncc(Br)cc2[nH]1 ZINC000140335828 EI Annotated Anodyne CC1(C)[C@@H](Br)[C@@H](O)CC2=C[C@@]3(C)CC[C@]21C[C@@H]3Cl ZINC000140357560 EI Annotated Reactive C=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1C(=O)OC[C@@H]1CC(=O)OC ZINC000140372091 EI Annotated Mild C#C/C=C\C[C@@H]1O/C(=C(\Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl ZINC000140440906 EI Annotated Reactive C=C(C)[C@H]1C[C@@]23[C@@H](O1)O[C@]2(C)[C@@H](Cl)C=C(Br)C3(C)C ZINC000140441437 EI Annotated Reactive COC(=O)C1=CC[C@@H](/C(C)=C\CC=C(C)C)[C@H]1[C@@H]1C(=O)C=C[C@H]1C ZINC000140453316 EI Annotated Mild CC1(C)[C@@H](Br)[C@@H](O)C=C2C[C@]3(C)CC[C@@]21C[C@@H]3Cl ZINC000140461927 EI Annotated Reactive CC(C)=CCC[C@@H]1C(=O)O[C@H]2OC(=O)/C3=C/C/C=C(\C)CC[C@H]1[C@H]32 ZINC000140488633 EI Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3C(=O)OC[C@@H]3CC(=O)OC)[C@H]12 ZINC000140540487 EI Annotated Mild CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC[C@H]1C(=O)O[C@@H]2O[C@@H]21 ZINC000140571812 EI Annotated Mild CC(C)=C[C@@H](O)C(=O)/C(C)=C/CC/C(C)=C/Cc1cc(O)ccc1O ZINC000140592162 EI Annotated Mild CCCCCC[C@H]1CC(=O)[C@H]2CCCC[C@@]23CC[C@H](COC(C)=O)N13 ZINC000140621777 EI Annotated Anodyne C#C/C=C\C/C=C\C[C@@H](Br)[C@@H]1C[C@H](Cl)[C@H](CC)O1 ZINC000140630394 EI Annotated Reactive C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl ZINC000140642965 EI Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C/C=C(\C)CC[C@@H]12 ZINC000140687995 EI Annotated Mild C#C/C=C/C/C=C\C[C@H]1O[C@@H](CC)[C@H](Br)C[C@H]1Cl ZINC000140776054 EI Annotated Reactive O=N/C=C1/C=CN(C/C=C/CN2C=C/C(=C\N=O)C(F)=C2)C=C1F ZINC000141196649 EI Annotated Anodyne CC1=C2CC/C(C(=O)O)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1 ZINC000141202233 EI Annotated Anodyne CC1(C)CCC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@@H]12)C=C(O)CO4 ZINC000141315961 EI Annotated Anodyne CC1=C[C@@H]2OO[C@H]1C[C@]1(C)CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@H]21 ZINC000141375435 EI Annotated Reactive CC1=C[C@H]2OO[C@@H]1C[C@]1(C)CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@H]21 ZINC000141375606 EI Annotated Reactive O=c1oc(-c2ccccc2O)cc(O)c1SCc1ccccc1 ZINC000141412504 EI Annotated Anodyne CCCn1c2c(c(=O)n1-c1ccccc1F)[C@H]1CC[C@]2(C)C1(C)C ZINC000141486267 EI Annotated Anodyne O=C(O)CCCC#CC#CCCCC/C=C\C#C/C=C/Br ZINC000141559085 EI Annotated Mild CCCCCCC/C=C/[C@H]1O[C@@H]2[C@@H](O)C=C3C[C@H](O)C[C@@H]3[C@H]2C=C1C ZINC000141670925 EI Annotated Mild Cc1ccc(Oc2cn(C)c(COc3ccccc3)cc2=O)c(C)c1 ZINC000141808846 EI Annotated Anodyne Cc1nc(NCCc2ccncc2)cc(-c2ccc3ncsc3c2)n1 ZINC000141915442 EI Annotated Anodyne C=CCn1c2c(c(=O)n1-c1ccccc1F)[C@H]1CC[C@]2(C)C1(C)C ZINC000141976351 EI Annotated Mild CC(C)C[C@@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000142050558 EI Annotated Anodyne CC[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccccc1 ZINC000142141024 EI Annotated Anodyne CC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccccc1 ZINC000142143288 EI Annotated Anodyne CC(C)C[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000142167065 EI Annotated Anodyne CC(C)C[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 ZINC000142167277 EI Annotated Anodyne CC(C)C[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 ZINC000142167688 EI Annotated Anodyne Cc1nc(NCCc2cccnc2)cc(-c2ccc3ncsc3c2)n1 ZINC000142199864 EI Annotated Anodyne CC(/C=C/c1oc(=O)c2c(c1C)O[C@@H](C)C2(C)C)=C\c1ccc[nH]1 ZINC000142317515 EI Annotated Anodyne S=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1 ZINC000142319154 EI Annotated Anodyne C/C=C/C(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(OCC)cc2)cc1 ZINC000142348186 EI Annotated Mild C/C=C/C(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(OCC)cc2)cc1 ZINC000142348390 EI Annotated Mild c1ccc(Nc2ccc(Oc3ncccc3-c3cncnc3)cc2)nc1 ZINC000142747376 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]23CO[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 ZINC000143179425 EI Annotated Anodyne CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@@](C)(CO)CCC[C@@]1(C)[C@@H]3CC2 ZINC000143225115 EI Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(Br)cn1 ZINC000143265435 EI Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21 ZINC000143338542 EI Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21 ZINC000143338744 EI Annotated Anodyne CC(C)(O)C#Cc1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000143345745 EI Annotated Mild Cc1ncc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)o1 ZINC000143347137 EI Annotated Anodyne Cc1ncc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)o1 ZINC000143347332 EI Annotated Anodyne c1ccc(Nc2ccc(Oc3ncccc3-c3cn[nH]c3)cc2)nc1 ZINC000143357743 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@]1(C)CO ZINC000143404971 EI Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21 ZINC000143476508 EI Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21 ZINC000143476745 EI Annotated Anodyne CCCOC(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000143480238 EI Annotated Anodyne CCCOC(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000143480446 EI Annotated Anodyne CCc1nc(Nc2ccc(C#N)cc2)nc(-c2cccc(Cl)c2)n1 ZINC000143505395 EI Annotated Anodyne CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCCO ZINC000143595073 EI Annotated Anodyne CCCCCCOc1ccc(CN2CC[C@H](C(=O)O)[C@H](C)C2)cc1 ZINC000143601331 EI Annotated Anodyne CCCCCCOc1ccc(CN2CC[C@@H](C(=O)O)[C@H](C)C2)cc1 ZINC000143601543 EI Annotated Anodyne COc1ccc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)cc1 ZINC000143615669 EI Annotated Anodyne CCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 ZINC000143694481 EI Annotated Anodyne CCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 ZINC000143694678 EI Annotated Anodyne CCCCOc1ccc2nc(-c3cn4nc(CC)sc4n3)oc2c1 ZINC000143847246 EI Annotated Anodyne COc1ccc2oc(-c3cn4nc(SC)sc4n3)c(C)c2c1 ZINC000143849336 EI Annotated Anodyne O=C1N(c2cc(Cl)nc(Cl)c2)CCN1c1cnccc1C1CC1 ZINC000143919244 EI Annotated Anodyne CC(C)NC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 ZINC000143932970 EI Annotated Anodyne CC(C)NC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 ZINC000143933129 EI Annotated Anodyne O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CCCC1 ZINC000143975302 EI Annotated Anodyne C#CCN1CCC2=C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C ZINC000144146496 EI Annotated Mild c1ccc(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc1 ZINC000144151689 EI Annotated Anodyne Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 ZINC000144258454 EI Annotated Anodyne Cc1coc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12 ZINC000144265314 EI Annotated Anodyne Cc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1 ZINC000144334259 EI Annotated Anodyne O=C(O)c1ccc2nc(-c3ccccc3)c(-c3cccc(O)c3)nc2c1 ZINC000144381943 EI Annotated Anodyne COc1cc(OC)c2ncnc([C@@H]3CCc4cccc(Cl)c43)c2c1 ZINC000144386930 EI Annotated Anodyne in-vivo COc1cc(OC)c2ncnc([C@H]3CCc4cccc(Cl)c43)c2c1 ZINC000144387128 EI Annotated Anodyne in-vivo Cc1ccncc1-c1ccc2cc(NC(=O)[C@H]3CC3(F)F)ncc2c1 ZINC000144438722 EI Annotated Anodyne O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(O)cc3)nc2c1 ZINC000144445319 EI Annotated Anodyne C=C(C)[C@@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2 ZINC000144461044 EI Annotated Reactive O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1 ZINC000144461692 EI Annotated Anodyne CCCC(=O)OCCc1c(C)cc2c(c1COC(C)=O)CC(C)(C)C2 ZINC000144545873 EI Annotated Anodyne Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1C#N ZINC000144608061 EI Annotated Mild CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)C3)O1 ZINC000144639072 EI Annotated Anodyne Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C ZINC000144644313 EI Annotated Anodyne Cc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3CC3(F)F)ncc2c1 ZINC000144644544 EI Annotated Anodyne Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000144660364 EI Annotated Anodyne COc1cc(OC)c2c(C)c(Cc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000144691895 EI Annotated Anodyne CC(C)OC(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144697328 EI Annotated Anodyne CC(C)OC(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144697530 EI Annotated Anodyne CCCc1c(Cc2cccc(Cl)c2)c(=O)[nH]c2cc(O)cc(O)c12 ZINC000144702705 EI Annotated Anodyne COc1cc(OC)c2c(C)c(Cc3cccc(Cl)c3)c(=O)oc2c1 ZINC000144705031 EI Annotated Anodyne C#C/C=C\C[C@@H](Cl)[C@H]1CC=CC[C@H](Br)[C@@H](CC)O1 ZINC000144712334 EI Annotated Reactive O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 ZINC000144714302 EI Annotated Anodyne O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 ZINC000144714504 EI Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCCC3)cc21 ZINC000144724721 EI Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCCC3)cc21 ZINC000144724939 EI Annotated Anodyne C[C@@H]1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144779958 EI Annotated Anodyne C[C@H]1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144780155 EI Annotated Anodyne C[C@@H]1CCCN1c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144789371 EI Annotated Anodyne C[C@H]1CCCN1c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144789566 EI Annotated Anodyne CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144812638 EI Annotated Anodyne CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144812858 EI Annotated Anodyne CC(=O)OCC/C=C/C=C/C=C/CCc1ccc(OC(C)=O)cc1 ZINC000014503393 EI Annotated Anodyne C=C(C)[C@H]1CC[C@]23C=C(CO)[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)C3 ZINC000014508967 EI Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C(\C)CC)C=C(C(C)C)[C@H]2/C(=C/C)C(=O)OC[C@@H]12 ZINC000014509238 EI Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C=C(C(C)C)[C@H]2/C(=C/C)C(=O)OC[C@@H]12 ZINC000014509240 EI Annotated Mild in-man endogenous COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@]12O ZINC000014513249 EI Annotated Anodyne CC(C)C(=O)c1c(O)cc2c(c1O)C[C@@H]1C(C)(C)CCC[C@@]1(C)O2 ZINC000014514176 EI Annotated Anodyne C[C@@H]1COc2c(O)c3c(c(O)c21)C(=O)C[C@@H]1C(C)(C)CCC[C@]31C ZINC000014514564 EI Annotated Anodyne C[C@@H]1COc2c(O)c3c(c(O)c21)C(=O)C[C@H]1C(C)(C)CCC[C@]31C ZINC000014514570 EI Annotated Anodyne C[C@H]1COc2c(O)c3c(c(O)c21)C(=O)C[C@H]1C(C)(C)CCC[C@]31C ZINC000014514573 EI Annotated Anodyne O=C(O)C(=O)c1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12 ZINC000014585607 EI Annotated Bother O=Cc1c2[nH]c3ccccc3c2c(C(=O)O)c2[nH]c3ccccc3c12 ZINC000014585610 EI Annotated Bother C[C@H]1CC(=O)c2c(coc2-c2c(O)ccc3c2OC(C)(C)C=C3)[C@@H]1O ZINC000014587369 EI Annotated Anodyne COC(=O)[C@H](C)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 ZINC000014588290 EI Annotated Anodyne COC(=O)[C@@H](C)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 ZINC000014588291 EI Annotated Anodyne C=C(C)[C@H]1CCC(C)=C/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000014588452 EI Annotated Mild Cc1ccc(-c2ccc(C#C[C@@H](O)COC(=O)CC(C)C)s2)s1 ZINC000014590531 EI Annotated Mild CC(C)=CC(=O)c1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2 ZINC000014590728 EI Annotated Mild C=CC(C)(C)c1cc2c(cc1O)OC[C@@H](c1ccc(OC)cc1O)C2 ZINC000014594253 EI Annotated Mild COc1cc2c(c3oc(-c4cc(O)cc(O)c4)cc13)CC=C(C)CO2 ZINC000014610063 EI Annotated Anodyne in-man biogenic COc1cc2cc(c1OC)-c1cc(ccc1O)CCC(=O)CCCC2 ZINC000014611809 EI Annotated Anodyne in-man endogenous C=C(C)[C@H](C)c1cc2c(cc1O)OC[C@H](c1ccc(O)cc1O)C2 ZINC000014613090 EI Annotated Mild in-vitro biogenic C=C(C)[C@@H](C)c1cc2c(cc1O)OC[C@H](c1ccc(O)cc1O)C2 ZINC000014613091 EI Annotated Mild C/C(C=O)=C\CC[C@H](C)CCOC(=O)C[C@@H](C)CC/C=C(\C)C=O ZINC000014616043 EI Annotated Reactive COc1nc2c3cc4c(cc3ccc2c2ccc3c(c12)OCO3)OCO4 ZINC000014636698 EI Annotated Bother COc1c([C@@H]2COc3cc(O)ccc3C2)ccc2c1C=COC2(C)C ZINC000014650509 EI Annotated Anodyne in-man COc1c([C@H]2COc3cc(O)ccc3C2)ccc2c1C=COC2(C)C ZINC000014650511 EI Annotated Anodyne in-man CCO[C@H](CCc1ccccc1)c1c(OC)cc(OC)c(OC)c1O ZINC000014652441 EI Annotated Anodyne C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C[C@@H](O)C(C)C ZINC000014655201 EI Annotated Anodyne C[C@@H](CCC/C(=C/CO)CO)CCC[C@@H](C)CCCC(C)(C)O ZINC000014655207 EI Annotated Anodyne in-vitro biogenic C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)CO)CCCC(C)(C)O ZINC000014655214 EI Annotated Anodyne c1cc2c(cc1Oc1coc(Oc3ccc4c(c3)OCO4)c1)OCO2 ZINC000014679095 EI Annotated Anodyne Cc1c(O)cc(CCc2cccc(O)c2O)c2c1OC(C)(C)C=C2 ZINC000014679204 EI Annotated Clean in-vitro biogenic C[C@@H]1CC[C@@]2(O)CC(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000014679512 EI Annotated Anodyne Oc1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1ccccc12 ZINC000014685510 EI Annotated Anodyne C=C(C)C(=O)CC[C@@H]1C(C)=CC=C2C=C(C(C)C)C(O)=C(O)[C@@]21O ZINC000014690211 EI Annotated Mild CCC1=CCCN(CCc2c([C@@H](C)C(=O)OC)[nH]c3ccccc23)C1 ZINC000014693889 EI Annotated Anodyne C=C[C@@]1(C)C[C@@H]2OC(=O)C3=C(CCCC3(C)C)[C@@]2(C)[C@H](C(=O)O)C1 ZINC000014694861 EI Annotated Mild CCCc1c(OC)cc2oc3cc(Cl)c(Cl)n3c(=O)c2c1O ZINC000014717346 EI Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)C/C=C\C=C/1C(=O)O ZINC000014717555 EI Annotated Mild C=C1C[C@@H](O)[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O ZINC000014717575 EI Annotated Mild COc1c(C(C)C)cc2c(c1O)C=C1C=CC(=O)C(C)(C)[C@@H]1CC2=O ZINC000014721137 EI Annotated Mild COc1c(C(C)C)cc2c(c1O)C=C1C=CC(=O)C(C)(C)[C@H]1CC2=O ZINC000014721139 EI Annotated Mild COc1c(C(C)C)cc2c(c1O)C=C1C=C[C@@H](O)C(C)(C)C1=CC2 ZINC000014721141 EI Annotated Anodyne COc1ccc2c(c1O)CCc1cc(O)c(C)c3c1[C@H]2CC(C)(C)O3 ZINC000014724876 EI Annotated Anodyne in-vitro biogenic COc1ccc2c(c1O)CCc1cc(O)c(C)c3c1[C@@H]2CC(C)(C)O3 ZINC000014724878 EI Annotated Anodyne COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)[C@H](C)C2 ZINC000014726808 EI Annotated Anodyne COC[C@@H](C/C=C/c1ccc(O)cc1)[C@@H](OC)c1ccc(O)cc1 ZINC000014761337 EI Annotated Anodyne in-vitro biogenic COC[C@H](C/C=C/c1ccc(O)cc1)[C@H](OC)c1ccc(O)cc1 ZINC000014761342 EI Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC ZINC000014768291 EI Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC ZINC000014768297 EI Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O ZINC000014774365 EI Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O ZINC000014774368 EI Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O ZINC000014774386 EI Annotated Clean in-vitro biogenic COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O ZINC000014774392 EI Annotated Anodyne COC1=Cc2c(cc(OC)c3cc(C)c(OC)cc23)C(C)(C)C1=O ZINC000014815172 EI Annotated Mild COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1C2 ZINC000014815255 EI Annotated Anodyne CC(C)=CCOc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1 ZINC000014815324 EI Annotated Bother COc1c(C)c2c(c3c1-c1cc(O)c(O)cc1CC3)C=CC(C)(C)O2 ZINC000014822657 EI Annotated Clean CC[C@@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC ZINC000014824895 EI Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC ZINC000014824897 EI Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC ZINC000014824899 EI Annotated Anodyne C=C(/C=C/N=C(Cl)Cl)CC[C@@H](O)C(=C)CC[C@@H](O)C(=C)C ZINC000014825366 EI Annotated Mild C#C/C=C/C[C@H]1O/C(=C(\Br)CC)C[C@H]2O[C@H]2C[C@H]1Cl ZINC000014827987 EI Annotated Reactive COc1ccc([C@@H]2O[C@@H](C)[C@@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 ZINC000014828302 EI Annotated Anodyne in-man COc1ccc([C@H]2O[C@H](C)[C@@H](c3ccc(OC)cc3)O[C@H]2C)cc1 ZINC000014828304 EI Annotated Anodyne in-man COc1ccc([C@@H]2O[C@H](C)[C@@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 ZINC000014828306 EI Annotated Anodyne in-man COc1ccc([C@H]2O[C@H](C)[C@@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 ZINC000014828308 EI Annotated Anodyne in-man CCC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@](CC)(CC[C@@H]12)[C@H]43 ZINC000014857243 EI Annotated Anodyne CC(C)C[C@@H](O)c1ccc2c(c1)CN(Cc1cccs1)CCO2 ZINC000014881235 EI Annotated Anodyne CC(C)C[C@H](O)c1ccc2c(c1)CN(Cc1cccs1)CCO2 ZINC000014881236 EI Annotated Anodyne Oc1ccc(-c2cccnc2)cc1CNC[C@@H]1C[C@H]2C=C[C@@H]1C21CC1 ZINC000014882106 EI Annotated Clean Oc1ccc(-c2cccnc2)cc1CNC[C@H]1C[C@H]2C=C[C@@H]1C21CC1 ZINC000014882107 EI Annotated Clean COc1cc(O)c2c(c1)cc(C)c1c3c(c(=O)oc12)C=CC(C)(C)O3 ZINC000014883261 EI Annotated Bother in-vitro biogenic COC1=Cc2cc(OC)c(O)c3c(-c4ccccc4)ccc(c23)C1=O ZINC000014885769 EI Annotated Mild COC1=Cc2cc(O)c(OC)c3c(-c4ccccc4)ccc(c23)C1=O ZINC000014885771 EI Annotated Mild O=C1N=C(O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 ZINC000014943770 EI Annotated Anodyne CC(C)c1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1 ZINC000014946547 EI Annotated Anodyne Cc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1 ZINC000014946563 EI Annotated Anodyne O=c1[nH]c2ccc(Cl)cc2n1Cc1c(Cl)cccc1Cl ZINC000014947172 EI Annotated Anodyne C[C@]1([C@@]2(C)CCCCN2)COC(c2ccccc2)(c2ccccc2)O1 ZINC000014952392 EI Annotated Anodyne in-vitro C[C@@]1([C@]2(C)COC(c3ccccc3)(c3ccccc3)O2)CCCCN1 ZINC000014952396 EI Annotated Anodyne in-vitro CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccc(C(F)(F)F)cc2)=NC1=O ZINC000014953724 EI Annotated Anodyne CC(C)[C@]1(C)SC(N[C@@H](C)c2ccc(C(F)(F)F)cc2)=NC1=O ZINC000014953729 EI Annotated Anodyne CC(C)[C@@]1(C)SC(N[C@@H](C)c2cccc(C(F)(F)F)c2)=NC1=O ZINC000014953733 EI Annotated Anodyne CC(C)[C@]1(C)SC(N[C@@H](C)c2cccc(C(F)(F)F)c2)=NC1=O ZINC000014953738 EI Annotated Anodyne CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O ZINC000014953741 EI Annotated Anodyne CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O ZINC000014953746 EI Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3[nH]cnc3-c3cccc(C)c3)ccc21 ZINC000014958446 EI Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3[nH]ncc3-c3cccc(C)c3)ccc21 ZINC000014958565 EI Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3ocnc3-c3cccc(C)c3)ccc21 ZINC000014958572 EI Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3ccnn3-c3cccc(C)c3)ccc21 ZINC000014958588 EI Annotated Anodyne CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3F)cn12 ZINC000014961180 EI Annotated Anodyne Cc1ccc2c(C)c(C(=O)NCc3nc(C)c(C)s3)oc2c1C ZINC000014961185 EI Annotated Anodyne CC(C)c1nnc2ccc(-c3c[nH]nc3-c3cc(F)ccc3F)cn12 ZINC000014961358 EI Annotated Anodyne O=c1ccc(Nc2ccccc2Cl)nn1-c1ccccc1Cl ZINC000014961512 EI Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N3CCCCCCC3)no2)cc1C ZINC000014962528 EI Annotated Anodyne COC(=O)c1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1 ZINC000014964295 EI Annotated Anodyne CC(C)c1c(O)c(O)c2c(c1C=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000014966693 EI Annotated Clean in-vitro biogenic COC(=O)/C1=C/CC/C(C)=C/[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 ZINC000014968521 EI Annotated Anodyne O=C1Nc2cccc(Cl)c2CN1c1csc(-c2ccncc2)n1 ZINC000014974658 EI Annotated Anodyne O=c1[nH]c2ccc(Cl)cc2cc1-c1csc(-c2ccncc2)n1 ZINC000014974719 EI Annotated Anodyne Oc1ccc(-c2cccnc2)cc1CNC1C2CC3CC(C2)CC1C3 ZINC000014976311 EI Annotated Clean Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@@H](C)CF)sc1C(=O)O ZINC000145116667 EI Annotated Anodyne Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@H](C)CF)sc1C(=O)O ZINC000145116863 EI Annotated Anodyne O[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000145163303 EI Annotated Anodyne O[C@H](CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000145163485 EI Annotated Anodyne C[C@@H](NC(=O)[C@@]1(C)C[C@](C)(Cl)C1)c1ccc(Br)cc1 ZINC000145227267 EI Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)[C@@]1(O)CC[C@H]1Cc3c([nH]c4ccccc34)[C@]12C ZINC000145389893 EI Annotated Mild NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145448996 EI Annotated Anodyne NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145449173 EI Annotated Anodyne C=C(C)C(=O)/C=C(\Cl)[C@@](C)(Cl)[C@H](Br)CCl ZINC000145860511 EI Annotated Reactive COc1ccc(Nc2nccc(Oc3cccc4c3C(=O)CC4)n2)cc1 ZINC000145989953 EI Annotated Anodyne CC(C)c1c(O)ccc2c1C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C ZINC000146171951 EI Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(O)CC2)OC1=O ZINC000146231690 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H]21 ZINC000146288969 EI Annotated Anodyne C[C@@H](c1cccc2ccccc12)N1CCC2(CCC(O)CC2)OC1=O ZINC000146495954 EI Annotated Anodyne COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OCC(C)=C2C[C@H](O)/C(C)=C/CC1 ZINC000146763506 EI Annotated Anodyne C#C/C=C\C[C@@H]1O/C(=C(/Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl ZINC000147044626 EI Annotated Reactive CCCCN1COc2cc3c(cc2C1)C=C(c1ccc(O)cc1)CO3 ZINC000147181909 EI Annotated Anodyne Cc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12 ZINC000147229229 EI Annotated Anodyne N#CCCc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1 ZINC000147476125 EI Annotated Mild O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1C(F)F ZINC000147532585 EI Annotated Anodyne COCC#Cc1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000147820970 EI Annotated Mild Cc1ccc2c(c1)ncc1c(=O)n(-c3csc(CC(C)C)c3)[nH]c12 ZINC000147953799 EI Annotated Anodyne Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(CC(C)C)s3)[nH]c12 ZINC000147955934 EI Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3-c3cccnc3)cc2)nc1 ZINC000148023092 EI Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3-c3ccncc3)cc2)nc1 ZINC000148188848 EI Annotated Anodyne CCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148196899 EI Annotated Anodyne Cc1ccncc1N1CCN(c2cc3c(Cl)nccc3s2)C1=O ZINC000148632584 EI Annotated Anodyne Cc1c(Cl)cncc1N1CCN(c2ccc3ncsc3c2)C1=O ZINC000148633495 EI Annotated Anodyne Cc1cc(Cl)nc2ccc(N3CCN(c4cccnc4)C3=O)cc12 ZINC000148760018 EI Annotated Anodyne Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc([C@H]2CCCC[C@@H]2C)n1 ZINC000148888518 EI Annotated Anodyne Cc1ccncc1N1CCN(c2csc3ccnc(Cl)c23)C1=O ZINC000149113764 EI Annotated Anodyne COC(=O)N[N+](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000149130838 EI Annotated Reactive Cc1ccncc1N1C(=O)N(c2ccc3ncsc3c2)CC1(C)C ZINC000149258107 EI Annotated Anodyne Cc1ccncc1N1CC(C)(C)N(c2ccc3ncsc3c2)C1=O ZINC000149430286 EI Annotated Anodyne Oc1cc(O)cc(C/C(Cl)=C\Cc2cc(O)c(Cl)cc2O)c1 ZINC000149545744 EI Annotated Anodyne Cc1ccc(NC(=O)N/N=C/c2ccc(Br)cc2)c(C)c1 ZINC000149714489 EI Annotated Reactive C[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149752483 EI Annotated Anodyne C[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149752673 EI Annotated Anodyne N#CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149755488 EI Annotated Anodyne Clc1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)ccc2c1 ZINC000149947630 EI Annotated Anodyne Clc1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)sc2c1 ZINC000149955359 EI Annotated Anodyne Clc1cc(Nc2ccc([C@H]3CNCCO3)cc2)nc2ccccc12 ZINC000149969605 EI Annotated Anodyne C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@H]1C ZINC000001531907 EI Annotated Anodyne in-vitro biogenic CC(C)(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 ZINC000001539971 EI Annotated Clean S=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1 ZINC000001547101 EI Annotated Anodyne NCCOc1cccc2c1c1cccc3c1n2[C@H](c1ccccc1)CO3 ZINC000001550276 EI Annotated Anodyne C=C1CC=CC(C)(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O ZINC000001558381 EI Annotated Reactive COc1c(C(C)C)ccc2c1CC[C@H]1C3=C(CC[C@@]21C)C(=O)OC3 ZINC000001572118 EI Annotated Anodyne in-vitro biogenic O=C(c1cc(O)ccc1O)c1ccccc1C(Cl)(Cl)Cl ZINC000001613566 EI Annotated Anodyne O=C(c1ccc2c3c(ccc(C(=O)C(F)(F)F)c13)CC2)C(F)(F)F ZINC000001613912 EI Annotated Anodyne CC(C)[C@@H](COC(C)(C)C)/N=C/N1CCc2c([nH]c3ccccc23)C1 ZINC000001614405 EI Annotated Mild CC1(c2cc3c(cc2Br)OCO3)SCCCS1 ZINC000001614417 EI Annotated Anodyne C=CC1(NS(=O)(=O)c2ccc(C)cc2)CCC(C(C)(C)C)CC1 ZINC000001614464 EI Annotated Mild O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)c(Cl)c1Cl ZINC000001616821 EI Annotated Anodyne CCOc1ccc(/C(C=O)=C(\Cl)c2ccc(OC)c(OC)c2)cc1 ZINC000001617200 EI Annotated Reactive CCOC(=O)C(C(=O)OCC)=C1C=C(c2ccccc2)c2ccccc21 ZINC000001618616 EI Annotated Anodyne CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1 ZINC000001622709 EI Annotated Bother CCN(CC)CCC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 ZINC000001624558 EI Annotated Anodyne CCOC(=O)c1cc(/C=C/C(C)=C/C(=O)OC)oc1-c1ccccc1 ZINC000001625593 EI Annotated Anodyne COC1=CC(=O)c2ccc(C(C)C)cc2[C@@]1(C)C1=NC(C)(C)CO1 ZINC000001629134 EI Annotated Mild CC1(C)COC([C@@]2(C)C(=O)C=C(c3ccccc3)c3ccccc32)=N1 ZINC000001629136 EI Annotated Mild C[C@@H](c1ccccc1)N1O[C@]12CC[C@@]1(C)[C@@H](CCCC13OCCO3)C2 ZINC000001629961 EI Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3CCC=C[C@H]32)cc1 ZINC000001630958 EI Annotated Anodyne CCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1 ZINC000001631750 EI Annotated Anodyne O=C1Oc2cc3c(c4cccc1c24)OCN(c1ccc(Cl)cc1)C3 ZINC000001632553 EI Annotated Anodyne O=Cc1c(O)ccc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c12 ZINC000001633228 EI Annotated Anodyne C/C(=C\Cc1cc(O)ccc1O)CCc1c(C)cc(O)c(C=O)c1C ZINC000001633254 EI Annotated Anodyne Cc1cc(O)c(C=O)c(C)c1CC[C@@]1(C)C=Cc2cc(O)ccc2O1 ZINC000001633257 EI Annotated Anodyne CCSc1nnc(-c2ccccc2)nc1Cc1ccc(OC)cc1 ZINC000001634534 EI Annotated Anodyne CC1(C)[C@H]2C[C@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 ZINC000001634965 EI Annotated Anodyne C(=C/c1ccccc1)\Cn1nc(-c2ccccc2)nc1-c1cnccn1 ZINC000001635123 EI Annotated Anodyne C[N+](CCCl)(CCCl)Cc1cccc2c([N+](=O)[O-])cccc12 ZINC000001635359 EI Annotated Reactive COc1ccc(/C=C2\CC[C@@H](CNc3ccc(OC)cc3)C2=O)cc1 ZINC000001638110 EI Annotated Mild COc1ccc(/C=C2\CC[C@H](CNc3ccc(OC)cc3)C2=O)cc1 ZINC000001638112 EI Annotated Mild C=C(CN(CC)CC)[C@@]1(c2ccccc2)CC2(CCCC2)C(=O)O1 ZINC000001640715 EI Annotated Mild CCN1c2nc3ccccc3nc2N(CC)c2nc3ccccc3nc21 ZINC000001642638 EI Annotated Anodyne COc1ccc([C@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC ZINC000001642819 EI Annotated Anodyne CC(C)(Cl)[C@H](Cl)CC[C@](C)(Cl)C(=O)CBr ZINC000001644128 EI Annotated Reactive CC(C)(Cl)[C@@H](Cl)CC[C@](C)(Cl)C(=O)CBr ZINC000001644129 EI Annotated Reactive CC(C)(Cl)[C@H](Cl)CC[C@@](C)(Cl)C(=O)CBr ZINC000001644130 EI Annotated Reactive CC(C)(Cl)[C@@H](Cl)CC[C@@](C)(Cl)C(=O)CBr ZINC000001644131 EI Annotated Reactive CCP(=O)(CC)C(Cl)(Cl)[C@@H](O)C(Cl)(Cl)Cl ZINC000001644272 EI Annotated Anodyne O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 ZINC000001645348 EI Annotated Anodyne COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 ZINC000001645359 EI Annotated Anodyne COC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2 ZINC000001645360 EI Annotated Anodyne O=S1(=O)c2ccccc2[C@@H](Nc2ccccc2)N1c1ccccc1 ZINC000001645626 EI Annotated Anodyne COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3 ZINC000001646172 EI Annotated Anodyne COC(=O)CCc1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1)CCC3 ZINC000001646198 EI Annotated Anodyne CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1CO ZINC000001648743 EI Annotated Anodyne Clc1c(Cl)c(Cl)c2c(nnn2[C@H]2CCCO2)c1Cl ZINC000001648758 EI Annotated Anodyne Clc1c(Cl)c(Cl)c2nn([C@H]3CCCO3)nc2c1Cl ZINC000001648759 EI Annotated Anodyne COc1cc2c(cc1OC)C(c1ccccc1CCCCl)=NCC2 ZINC000001650697 EI Annotated Reactive Cc1c[nH]c(C(=O)O)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001650878 EI Annotated Bother O[C@H](c1cc2ccccc2[nH]1)C1(c2cccnc2)SCCCS1 ZINC000001653331 EI Annotated Anodyne CC(C)N(C(=O)C1(O)c2ccccc2C=Cc2ccccc21)C(C)C ZINC000001656892 EI Annotated Anodyne CC(C)(C)c1cc(/C=C(\C#N)C2=NCCO2)cc(C(C)(C)C)c1O ZINC000001658000 EI Annotated Reactive O=C1SC(SCc2ccccc2)=N[C@]12C[C@H]2c1ccccc1 ZINC000001658326 EI Annotated Anodyne O=C1SC(SCc2ccccc2)=N[C@@]12C[C@H]2c1ccccc1 ZINC000001658327 EI Annotated Anodyne O=C1SC(SCc2ccccc2)=N[C@]12C[C@@H]2c1ccccc1 ZINC000001658328 EI Annotated Anodyne O=C1SC(SCc2ccccc2)=N[C@@]12C[C@@H]2c1ccccc1 ZINC000001658329 EI Annotated Anodyne COc1ccc(C(=O)c2sc(N(C)C)nc2-c2ccccc2)cc1 ZINC000001658557 EI Annotated Anodyne Clc1nc2c(-c3cccs3)ncnc2n1Cc1ccccc1 ZINC000001659307 EI Annotated Anodyne COc1cc(C=O)cc(/C=N/n2c3ccccc3c3ccccc32)c1O ZINC000001661934 EI Annotated Mild COc1ncnc2c(Cl)c([C@@H](O)c3ccccc3)c(Cl)cc12 ZINC000001662000 EI Annotated Anodyne COc1nc2cccc([C@H](O)c3ccccc3)c2nc1-c1ccccc1 ZINC000001662003 EI Annotated Anodyne CN(C)c1ccc(/C=c2/c3ccccc3n3nc4ccccc4c23)cc1 ZINC000001662766 EI Annotated Clean CCn1c2ccc(O)c(C(=O)OC)c2c2cc3ccccc3c(O)c21 ZINC000001663327 EI Annotated Bother Cc1cc(Cl)ccc1-n1c(CF)nc2cccc(Cl)c2c1=O ZINC000001849020 EI Annotated Anodyne COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1)CCC4)CCC2 ZINC000001855372 EI Annotated Anodyne O=C1c2cc3c(cc2C[C@@]12Cc1ccc4c(c1C2=O)CCC4)CCCC3 ZINC000001855713 EI Annotated Anodyne CN1C(=O)c2ccccc2O[C@@]12C=Cc1c(ccc3ccccc13)O2 ZINC000001858522 EI Annotated Anodyne COC(=O)c1nc2c(C)c(O)c(O)c([C@H](C)CCC=C(C)C)c2o1 ZINC000001859656 EI Annotated Clean O=C(OCC(Cl)(Cl)Cl)N1CC[C@H](C2CCCCC2)C1 ZINC000001859827 EI Annotated Anodyne O=C(OCC(Cl)(Cl)Cl)N1CC[C@@H](C2CCCCC2)C1 ZINC000001859829 EI Annotated Anodyne C[C@@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000001864085 EI Annotated Reactive C=C[C@@H](OC(=O)[C@H](C)CC)c1ccc(OC(=O)C(C)C)c(OC)c1 ZINC000015113386 EI Annotated Mild C=C[C@H](OC(=O)CC(C)C)c1ccc(OC(=O)C(C)C)c(OC)c1 ZINC000015113390 EI Annotated Mild C=C[C@@H](OC(=O)CC(C)C)c1ccc(OC(=O)C(C)C)c(OC)c1 ZINC000015113392 EI Annotated Mild C/C(=C\CC/C(=C/CC/C(C)=C/CC/C(C)=C/CO)C(=O)O)CO ZINC000015113906 EI Annotated Anodyne COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC=C(C)C ZINC000015115158 EI Annotated Anodyne in-vitro biogenic CCCc1cc(O)cc(OC(=O)c2c(O)cc(OC)cc2CCC)c1 ZINC000015115367 EI Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)CO ZINC000015116847 EI Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 ZINC000015116870 EI Annotated Anodyne C/C(=C\Cc1c(C)c(=O)c2ccccc2n1C)CC[C@H]1OC1(C)C ZINC000015120604 EI Annotated Anodyne CC(C)=CCC/C(=C\COc1cc(=O)oc2cccc(C)c12)CO ZINC000015120619 EI Annotated Anodyne CC(C)=CCC/C(C=O)=C\COc1cc(=O)oc2cccc(C)c12 ZINC000015120621 EI Annotated Reactive C=CC(C)(C)c1cc([C@H]2COc3cc(OC)ccc3C2)c(O)cc1O ZINC000015121036 EI Annotated Mild COC(=O)CCC(C)(C)c1ccc2c(c1C)C(=O)C(=O)C(C(C)C)=C2 ZINC000015121807 EI Annotated Mild CN(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000015152622 EI Annotated Anodyne C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 ZINC000015155387 EI Annotated Anodyne C[C@@H]1CC=C2[C@H](CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015158478 EI Annotated Anodyne C=C1CC[C@H]2[C@]3(C)CCC[C@]2(C(=O)OC3)[C@H]1CC(=O)c1ccoc1 ZINC000015158618 EI Annotated Mild CC(C)c1cc(C=O)c2c(c1O)O[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000015159275 EI Annotated Anodyne CC(C)c1cc(C=O)c2c(c1O)O[C@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000015159277 EI Annotated Anodyne C=C(C(=O)OC)[C@H]1CC/C(C)=C/CC[C@@](C)(O)/C=C/C[C@@]2(C)O[C@@H]2C1 ZINC000015161885 EI Annotated Mild C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@H]2[C@@]1(C)/C=C/c1ccoc1 ZINC000015162364 EI Annotated Anodyne Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000015163063 EI Annotated Anodyne Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000015163066 EI Annotated Anodyne CC/C=C\C/C=C\C[C@H]1O[C@@H]1[C@@H](O)/C=C\C/C=C\CCCC(=O)OC ZINC000015163420 EI Annotated Anodyne CC/C=C\C/C=C\C[C@@H]1O[C@H]1[C@@H](O)/C=C\C/C=C\CCCC(=O)OC ZINC000015163422 EI Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000015164994 EI Annotated Mild C=C1CC[C@H]2[C@]3(C)CCC[C@]2(COC3=O)[C@H]1CC(=O)c1ccoc1 ZINC000015166192 EI Annotated Mild CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@@]12CC(=O)O[C@@H]1O2 ZINC000015166456 EI Annotated Anodyne COc1cc2c(cc1C(C)C)CCC[C@H](CCC[C@@]1(CO)CO1)C2 ZINC000015194951 EI Annotated Anodyne in-vitro biogenic COc1cc2c(cc1C(C)C)CCC[C@H](CCC[C@]1(CO)CO1)C2 ZINC000015194955 EI Annotated Anodyne in-vitro biogenic C[C@@H]1COc2c(O)c3c(c(O)c21)C(=O)C=C1C(C)(C)CCC[C@@]13C ZINC000015196668 EI Annotated Mild C[C@@H]1COc2c(O)c3c(c(O)c21)C(=O)C=C1C(C)(C)CCC[C@]13C ZINC000015196672 EI Annotated Mild CN(C)[C@@H](Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12 ZINC000015209785 EI Annotated Anodyne CN(C)[C@H](Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12 ZINC000015209787 EI Annotated Anodyne C=CCc1cc(OC)c2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](C)O2 ZINC000015211346 EI Annotated Mild C=C[C@@](C)(O)CC/C=C(/CCC=C(C)C)COC(=O)CC(C)(C)O ZINC000015213685 EI Annotated Mild COc1ccc(-c2cc(-c3ccc(OC)cc3)c3[n+](c2)CCC3)cc1 ZINC000015216020 EI Annotated Anodyne CC(C)=CCOc1ccc2c3c(c(=O)n(C)c2c1)C=CC(C)(C)O3 ZINC000015216900 EI Annotated Anodyne CCO[C@@H]1C[C@@H](c2ccccc2)Oc2c(C)c(O)c(C=O)c(OC)c21 ZINC000015217547 EI Annotated Anodyne CC/C(C)=C/C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]12O ZINC000015220252 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015220425 EI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015220427 EI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000015220428 EI Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015220430 EI Annotated Anodyne in-man CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C ZINC000015221153 EI Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@]1(C)O)C2 ZINC000015221163 EI Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C ZINC000015221173 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C ZINC000015221185 EI Annotated Anodyne [N-]=[N+]=Nc1cc(N=[N+]=[N-])c2c(c1)S(=O)N(c1ccccc1)C2=O ZINC000015239946 EI Annotated Mild [N-]=[N+]=Nc1cc(N=[N+]=[N-])c2c(c1)S(=O)N(Cc1ccccc1)C2=O ZINC000015240174 EI Annotated Mild CC(=O)C1=C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@](O)(CCc2ccoc2)O1 ZINC000015251107 EI Annotated Mild COc1cc2ccc1Oc1cc(ccc1O)CCC(=O)CCCC2 ZINC000015251114 EI Annotated Anodyne in-man endogenous COc1c2ccc(c1O)CCCCC(=O)CCc1ccc(O)c(c1)O2 ZINC000015251138 EI Annotated Anodyne COc1cc2ccc1Oc1cc(ccc1O)CC[C@H](O)CCCC2 ZINC000015251162 EI Annotated Anodyne COc1cc2ccc1Oc1cc(ccc1O)CC[C@@H](O)CCCC2 ZINC000015251164 EI Annotated Anodyne in-vitro biogenic CC(=O)C(=O)C[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCc1ccoc1 ZINC000015251205 EI Annotated Clean CO/C1=C/C(=O)CCc2ccc(OC)c(c2)Oc2ccc(cc2)CC1 ZINC000015252539 EI Annotated Mild COc1cc2cc(c1O)Oc1ccc(cc1)CC/C(O)=C\C(=O)CC2 ZINC000015252557 EI Annotated Mild CO/C1=C/C(=O)CCc2cc(OC)cc(c2)Oc2ccc(cc2)CC1 ZINC000015252562 EI Annotated Mild Oc1ccc(COCc2ccc(O)c(Cc3ccc(O)cc3)c2)cc1 ZINC000015252683 EI Annotated Anodyne CC(=O)OC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1 ZINC000015257203 EI Annotated Anodyne CC1=CC(=O)c2c(/C=N/CCC(C)C)c(O)c(O)c(C(C)C)c2C1=O ZINC000015263082 EI Annotated Mild in-man COC(=O)[C@@H]1CC[C@H]([C@@]2(C)CCCC(C)(C)C2)C2=C1C(=O)O[C@@H]2C ZINC000015263140 EI Annotated Anodyne C=CC(C)(C)c1cc2cc(CC=C(C)C)c(O)c(OC)c2oc1=O ZINC000015263544 EI Annotated Mild in-man endogenous CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]23C(=O)O[C@H](c2ccoc2)C[C@H]13 ZINC000015267336 EI Annotated Mild CC(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000150014209 EI Annotated Anodyne Clc1cccc2ccc(Nc3ccc([C@H]4CNCCO4)cc3)nc12 ZINC000150016037 EI Annotated Anodyne Clc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1Cl ZINC000150043035 EI Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000150117225 EI Annotated Anodyne CC(C)=CCC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)O ZINC000150202279 EI Annotated Anodyne biogenic C=C[C@](C)(O)CC/C=C(\CO)CC/C=C(/CCC=C(C)C)C(=O)O ZINC000150247621 EI Annotated Anodyne biogenic CNC1=CC2=CC[C@@H]3[C@H](CC[C@]45CN[C@@H](C)[C@H]4CC[C@@H]35)[C@@]2(C)CC1 ZINC000153003189 EI Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4C(=O)C=C5C=CCC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000153378311 EI Annotated Mild COc1ccccc1C#Cc1ccc2c(=O)c3ccccc3n(C)c2c1 ZINC000015934031 EI Annotated Mild COc1ccc(C#Cc2ccc3c(=O)c4ccccc4n(C)c3c2)cc1 ZINC000015934044 EI Annotated Mild CC(C)(C)C#CCn1c(/C=[N+](\[O-])C2CCCCC2)nc2ccccc21 ZINC000015934710 EI Annotated Mild COc1cccc2oc3cc(C#CC4(O)CCCCC4)ccc3c(=O)c12 ZINC000015935070 EI Annotated Mild COc1cccc(Cn2cc(-c3cccc(C(F)(F)F)c3)nn2)c1 ZINC000015935309 EI Annotated Anodyne CCc1c(C2(O)CCCCC2)[nH]c2c(C(=O)OC)cc(Cl)cc12 ZINC000015935739 EI Annotated Anodyne COc1ccc(-c2sc3ccc(OC)cc3c2C#CCCO)cc1 ZINC000015935770 EI Annotated Mild COc1ccc(-c2sc(Nc3ccccc3)n[n+]2C)c(C)c1C ZINC000015936929 EI Annotated Anodyne C[C@@H](Cc1ccsc1)NCc1c[nH]nc1-c1ccc(F)cc1F ZINC000015961871 EI Annotated Anodyne C[C@H](Cc1ccsc1)NCc1c[nH]nc1-c1ccc(F)cc1F ZINC000015961873 EI Annotated Anodyne O=C1C(Cl)=CC(Cl)=C/C1=C\C=C1\C=Cc2cccc(O)c2N1 ZINC000015961973 EI Annotated Mild COc1ccc(NC2=CC(=C3C=CC(=O)C=C3)Oc3ccccc32)cc1 ZINC000015973723 EI Annotated Mild c1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@H]2CCCO2)cc1 ZINC000015973736 EI Annotated Anodyne Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\C=C\c1ccco1 ZINC000015986537 EI Annotated Mild O=C(O)CCCC#CC#C/C=C\CCCCC#C/C=C\Br ZINC000164963373 EI Annotated Mild C[C@@H](O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165006648 EI Annotated Anodyne C[C@H](O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000165006761 EI Annotated Anodyne C#C/C=C/C[C@@H]1O[C@@H](CC)[C@H](Br)C/C=C\C[C@@H]1Cl ZINC000165973109 EI Annotated Reactive O=C1c2ncc(COc3ccccc3)cc2CCN1c1ccc(F)cc1 ZINC000165987906 EI Annotated Anodyne COC(=O)/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2OCC(C)=C2C[C@H]1O ZINC000166249405 EI Annotated Anodyne C#C/C=C\C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1Cl ZINC000166377538 EI Annotated Reactive C=C(C)C(=O)C(Cl)(Cl)/C=C(/C)[C@H](Br)CCl ZINC000166397459 EI Annotated Reactive CO[C@]12C/C(C)=C/CC[C@@]3(C)[C@H]4CC[C@](C)(O4)[C@@H]3CC1=C(C)C(=O)O2 ZINC000166457677 EI Annotated Anodyne C#C/C=C/C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1Cl ZINC000166491345 EI Annotated Reactive CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@]2(OO)OC1=O ZINC000166773738 EI Annotated Reactive C[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000166956749 EI Annotated Anodyne CCCCCC(/C=C\C(O)=C1/C(=O)CN(C)C1=O)=C\c1ccccc1 ZINC000169290003 EI Annotated Mild CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@H]4[C@H]2C[C@@H]2[C@@H]4[C@@H]3[C@@H]21 ZINC000169290662 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@H]53)[C@@H]41 ZINC000169290663 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@H]4[C@H]2C[C@H]2[C@@H]4[C@@H]3[C@@H]21 ZINC000169290664 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]35)[C@@H]41 ZINC000169290665 EI Annotated Anodyne C/C(=C/C(=O)O[C@H](C)c1ccccc1)OP1(=O)O[C@@H](C)[C@@H](C)O1 ZINC000169290890 EI Annotated Anodyne C/C(=C/C(=O)O[C@H](C)c1ccccc1)OP1(=O)O[C@H](C)[C@@H](C)O1 ZINC000169290891 EI Annotated Anodyne CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 ZINC000169292295 EI Annotated Anodyne CS[C@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 ZINC000169292296 EI Annotated Anodyne CC[C@@H]1OC(=O)CCCCCCC/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O ZINC000169292328 EI Annotated Reactive C[C@H]1C(=O)/C=C\C(C)(C)C[C@@H]2O[C@]2(C)CC[C@H]1NCc1ccccc1 ZINC000169292401 EI Annotated Mild COC(=O)/C1=C/CC/C(C)=C\[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 ZINC000169293012 EI Annotated Anodyne COC(=O)/C1=C\CC/C(C)=C\[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 ZINC000169293013 EI Annotated Anodyne COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 ZINC000169293014 EI Annotated Anodyne N#C[C@@H]1c2ccccc2C(=N)C(C#N)(C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000169296160 EI Annotated Mild N#C[C@H]1c2ccccc2C(=N)C(C#N)(C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000169296161 EI Annotated Mild CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1 ZINC000169299023 EI Annotated Mild CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000169299027 EI Annotated Bother CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1cccc(OC)c1 ZINC000169299049 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccc(OC)cc1 ZINC000169299074 EI Annotated Anodyne c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCCn2ccnc2)cc1 ZINC000169300079 EI Annotated Anodyne CN1CCC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169300638 EI Annotated Anodyne Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@@H](C)C2)sn1 ZINC000169302117 EI Annotated Anodyne Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@@H](C)C2)sn1 ZINC000169302118 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000169303255 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000169303257 EI Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@@H](C3CC3)O[C@H]2c2ccc(Cl)cc2)O1 ZINC000169303478 EI Annotated Anodyne O=C(Nc1ccccn1)c1sc2ccc([N+](=O)[O-])cc2c1Cl ZINC000169304574 EI Annotated Bother Cc1cccc(Nc2sc(-c3ccccc3F)cc2C(N)=O)n1 ZINC000169307005 EI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@H](C(C)(C)C)N(C(C)(C)C)[C@@H]1C(C)(C)C ZINC000169307051 EI Annotated Anodyne COc1ccc(/N=N/c2c(-c3ccc([N+](=O)[O-])cc3)n[nH]c2O)cc1 ZINC000169307453 EI Annotated Clean Cc1ccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 ZINC000169307886 EI Annotated Anodyne Cc1ccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 ZINC000169307887 EI Annotated Anodyne Cc1cccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)c1 ZINC000169307888 EI Annotated Anodyne Cc1cccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)c1 ZINC000169307890 EI Annotated Anodyne COC(=O)/C(=C/c1ccc(Cl)cc1)CSc1nc(C)cc(C)n1 ZINC000169308064 EI Annotated Anodyne Cc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1 ZINC000169308772 EI Annotated Anodyne CCCc1cc(O)cc2c1Oc1cc(O)cc(CCC)c1C(=O)O2 ZINC000169309029 EI Annotated Anodyne C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C\C/C(C)=C\CC/C(C)=C\[C@@H]1O ZINC000169309451 EI Annotated Reactive C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C\CC/C(C)=C\[C@@H]1O ZINC000169309454 EI Annotated Reactive C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C\C/C(C)=C/CC/C(C)=C\[C@@H]1O ZINC000169309455 EI Annotated Reactive C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C/CC/C(C)=C\[C@@H]1O ZINC000169309458 EI Annotated Reactive Cn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccccc3c21 ZINC000169309472 EI Annotated Bother COc1cc2c(cc1OC)C(=O)/C(=C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000169310177 EI Annotated Mild Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3ccccc23)cc1 ZINC000169311761 EI Annotated Anodyne Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3cc(C)ccc23)cc1 ZINC000169311768 EI Annotated Anodyne Cc1cccc(Nc2sc(-c3ccc(F)cc3F)cc2C(N)=O)n1 ZINC000169311911 EI Annotated Anodyne N#C/C(=C\c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccc(C#N)cc12 ZINC000169312590 EI Annotated Reactive CC1=CC[C@H](C(C)(C)NC(=S)N/N=C/c2ccc(C)cc2)CC1 ZINC000169312735 EI Annotated Mild COc1ccc(/C=N/NC(=S)NC(C)(C)[C@H]2CC=C(C)CC2)cc1 ZINC000169312738 EI Annotated Mild CC1=CC[C@H](C(C)(C)NC(=S)N/N=C/c2ccc(F)cc2)CC1 ZINC000169312745 EI Annotated Mild Fc1ccc([C@@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 ZINC000169313726 EI Annotated Reactive Fc1ccc([C@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 ZINC000169313727 EI Annotated Reactive Fc1ccc([C@@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 ZINC000169313728 EI Annotated Reactive Fc1ccc([C@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 ZINC000169313729 EI Annotated Reactive CC1([C@@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 ZINC000169313817 EI Annotated Reactive CC1([C@H]2OO[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 ZINC000169313818 EI Annotated Reactive CC1([C@@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 ZINC000169313819 EI Annotated Reactive CC1([C@H]2OO[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 ZINC000169313820 EI Annotated Reactive C=CC[C@]12O[C@]3(OC)C[C@H]1[C@H](C)[C@H](c1ccccc1)[C@H]2[C@]3(O)CC=C ZINC000169314038 EI Annotated Mild C=CC[C@]12O[C@]3(OC)C[C@H]1[C@H](C)[C@H](c1ccccc1)[C@H]2[C@@]3(O)CC=C ZINC000169314042 EI Annotated Mild C=CC[C@]12O[C@]3(OC)C[C@H]1[C@H](C)[C@H](c1ccccc1)[C@@H]2[C@]3(O)CC=C ZINC000169314044 EI Annotated Mild C=CC[C@]12O[C@]3(OC)C[C@H]1[C@H](C)[C@H](c1ccccc1)[C@@H]2[C@@]3(O)CC=C ZINC000169314046 EI Annotated Mild COc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)=NCC2 ZINC000169314374 EI Annotated Anodyne NCCNCCNC(CCC1CCCCC1)CCC1CCCCC1 ZINC000169315392 EI Annotated Anodyne CCC[C@@H](C(=O)/C(O)=C1\C=CC=CC1=O)c1ccc(CCCl)cc1 ZINC000169315501 EI Annotated Reactive CCC[C@H](C(=O)/C(O)=C1\C=CC=CC1=O)c1ccc(CCCl)cc1 ZINC000169315502 EI Annotated Reactive CN1C[C@@H](c2ccccc2)C/C1=N\C(=O)Nc1cccc(Cl)c1 ZINC000169315573 EI Annotated Mild CN1C[C@H](c2ccccc2)C/C1=N\C(=O)Nc1cccc(Cl)c1 ZINC000169315575 EI Annotated Mild CO[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CC[C@]1(C)O ZINC000169315754 EI Annotated Anodyne CO[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C\CC[C@]1(C)O ZINC000169315756 EI Annotated Anodyne CO[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2CC/C(C)=C\CC[C@]1(C)O ZINC000169315758 EI Annotated Anodyne COc1ccc(Br)c2c1CC[C@@H]1[C@H](c3ccncc3)[C@@H]21 ZINC000169315804 EI Annotated Anodyne NCCC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12 ZINC000169316300 EI Annotated Anodyne Cc1c2c(cc3oc(C(=O)O)cc(=O)c13)OC(C)(C)c1ccccc1-2 ZINC000169316387 EI Annotated Anodyne CCCN1CCN(CCC)[C@@H]2c3c(C)c4ccccc4n3CC[C@@H]21 ZINC000169317433 EI Annotated Anodyne CC1(C)OCc2cnc(CCl)c(OCc3ccccc3)c2CO1 ZINC000169317751 EI Annotated Reactive COc1ccc([C@H]2C=C3c4cccc5c4[C@@H](CN5)C[C@H]3N(C)C2)cc1 ZINC000169317781 EI Annotated Anodyne COc1ccc([C@@H]2C=C3c4cccc5c4[C@@H](CN5)C[C@H]3N(C)C2)cc1 ZINC000169317782 EI Annotated Anodyne CN(C)CCCN1CC[C@H]2c3ccccc3[C@@H](c3ccccc3)[C@H]2C1 ZINC000169318092 EI Annotated Anodyne CN(C)CCCN1CC[C@H]2c3ccccc3[C@H](c3ccccc3)[C@H]2C1 ZINC000169318098 EI Annotated Anodyne C/C(=N\NC(=S)Nc1cccc(Cl)c1Cl)c1ccccn1 ZINC000169318113 EI Annotated Mild CC1(C)Oc2cc3oc(=O)cc(O)c3cc2-c2ccc(Cl)cc21 ZINC000169318459 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169318489 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169318490 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169318493 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169318496 EI Annotated Anodyne C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 ZINC000169318587 EI Annotated Reactive CNCc1cccc(C(F)(F)C(F)(F)c2ccccc2)c1CNC ZINC000169318626 EI Annotated Anodyne O=C(O)c1cc(=O)c2c(ccc3sc4ccc(Cl)cc4c32)[nH]1 ZINC000169319945 EI Annotated Bother O=C(O)c1cc(=O)c2c(ccc3sc4c(Cl)cccc4c32)[nH]1 ZINC000169319947 EI Annotated Bother O=C(O)c1cc(=O)c2c(cc(Cl)c3sc4ccccc4c32)[nH]1 ZINC000169319952 EI Annotated Bother O=C(O)c1cc(=O)c2cc3sc4ccccc4c3c(Cl)c2[nH]1 ZINC000169319976 EI Annotated Bother O=C(O)c1cc(-c2cc3c(n2-c2ccccc2)CCCC3)ccc1O ZINC000169320104 EI Annotated Clean C1=C[C@H]2O[C@H]1C1=C2c2ccccc2C(=C2CCNCC2)c2ccccc21 ZINC000169321192 EI Annotated Anodyne CN1CCC(=C2c3ccccc3[C@H]3COC[C@H]3c3ccccc32)CC1 ZINC000169321205 EI Annotated Clean CN1CCC(=C2c3ccccc3[C@H]3COC[C@@H]3c3ccccc32)CC1 ZINC000169321206 EI Annotated Clean CN1CCC(=C2c3ccccc3[C@@H]3COC[C@H]3c3ccccc32)CC1 ZINC000169321208 EI Annotated Clean CCCCCc1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000169321970 EI Annotated Anodyne OCc1ccc(-c2nn(Cc3ccc(F)cc3F)c3ccccc23)o1 ZINC000169322386 EI Annotated Anodyne COc1ccc(Cn2cnc3ccc(-c4c(C)noc4C)cc32)cc1 ZINC000169322608 EI Annotated Anodyne Cc1noc(C)c1-c1ccc2ncn(Cc3ccccc3C#N)c2c1 ZINC000169322615 EI Annotated Mild O=C(O)c1ccc2oc3ccc(C(=O)C4CCCC4)cc3c(=O)c2c1 ZINC000169322620 EI Annotated Bother CCC1(c2ccccc2)OCC([C@@H](c2ccccc2)N(C)C)CO1 ZINC000169323016 EI Annotated Anodyne CCC1(c2ccccc2)OCC([C@H](c2ccccc2)N(C)C)CO1 ZINC000169323017 EI Annotated Anodyne CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Oc2ccc(Cl)cc21 ZINC000169323876 EI Annotated Clean C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@@H]1C2(C)C ZINC000169323879 EI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@@H]1C2(C)C ZINC000169323881 EI Annotated Anodyne C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@H]1C2(C)C ZINC000169323883 EI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@H]1C2(C)C ZINC000169323887 EI Annotated Anodyne CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Sc2ccc(F)cc21 ZINC000169323910 EI Annotated Clean CC1(C)CC(=O)C(=C/C=C/c2ccc(Br)cc2)C(=O)C1 ZINC000169323953 EI Annotated Mild CC[C@@]1(C)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC000169324251 EI Annotated Anodyne CC[C@]1(C)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC000169324254 EI Annotated Anodyne CC[C@@]1(C)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC000169324258 EI Annotated Anodyne CC[C@]1(C)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC000169324261 EI Annotated Anodyne COc1ccc(N2C(=O)C3(CCCC3)[C@@H]2c2ccccc2OC)cc1 ZINC000169324271 EI Annotated Anodyne COc1ccc(N2C(=O)C3(CCCC3)[C@H]2c2ccccc2OC)cc1 ZINC000169324272 EI Annotated Anodyne CC1(C)[C@H]2CC[C@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@H]1C2 ZINC000169324274 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@H]1C2 ZINC000169324276 EI Annotated Anodyne CCC/N=C(\CCc1ccccc1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000169325443 EI Annotated Mild O=C1c2ccc(COc3ccccc3)nc2CCN1c1ccc(F)cc1 ZINC000169325472 EI Annotated Anodyne Cn1c2c(O)cccc2c(=O)c2c3occc3c3c(c21)C=CC(C)(C)O3 ZINC000169326104 EI Annotated Bother CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169326439 EI Annotated Anodyne Cc1nn(C)c2nc3ccccc3c(NCc3ccccc3N(C)C)c12 ZINC000169326613 EI Annotated Anodyne O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 ZINC000169327481 EI Annotated Anodyne CCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 ZINC000169327789 EI Annotated Anodyne CC[C@@H](C)Cc1ccnc2c(N[C@@H](C)CCCN)cc(OC)cc12 ZINC000169329209 EI Annotated Anodyne CC[C@H](C)Cc1ccnc2c(N[C@@H](C)CCCN)cc(OC)cc12 ZINC000169329211 EI Annotated Anodyne CC[C@@H](C)Cc1ccnc2c(N[C@H](C)CCCN)cc(OC)cc12 ZINC000169329212 EI Annotated Anodyne CC[C@H](C)Cc1ccnc2c(N[C@H](C)CCCN)cc(OC)cc12 ZINC000169329214 EI Annotated Anodyne O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 ZINC000169329792 EI Annotated Anodyne CCCn1ccc2c(NCCc3ccccc3OC)cccc2c1=O ZINC000169329893 EI Annotated Anodyne CCCn1ccc2c(NCCc3cccc(OC)c3)cccc2c1=O ZINC000169329894 EI Annotated Anodyne Cc1ccc2cccc(/N=C/c3c(C)[nH]n(-c4ccccc4)c3=O)c2n1 ZINC000169330051 EI Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](OC)c1cc(F)ccc1Br ZINC000169330142 EI Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@@H](OC)c1cc(F)ccc1Br ZINC000169330143 EI Annotated Anodyne CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 ZINC000169330598 EI Annotated Anodyne CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1/C=N/c1cccc(F)c1 ZINC000169330732 EI Annotated Mild CC(C)(C)CNC(=N)CCSSCCC(=N)NCC(C)(C)C ZINC000169331143 EI Annotated Reactive c1ccc(Cc2cn(Cc3ccccc3)c[n+]2Cc2ccccc2)cc1 ZINC000169331278 EI Annotated Anodyne C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 ZINC000169331622 EI Annotated Bother Nc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 ZINC000169331631 EI Annotated Bother Fc1ccc([C@]23CCC[C@@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 ZINC000169332164 EI Annotated Reactive CN1CCC[C@@H](n2ccc3ccc(NC(=N)c4ccco4)cc32)CC1 ZINC000169333651 EI Annotated Anodyne Cc1cccc2c([C@@H](O)C[C@@H]3CCCCN3)cc(C(F)(F)F)nc12 ZINC000169334025 EI Annotated Anodyne Cc1cccc2c([C@H](O)C[C@@H]3CCCCN3)cc(C(F)(F)F)nc12 ZINC000169334027 EI Annotated Anodyne Cc1cccc2c([C@@H](O)C[C@H]3CCCCN3)cc(C(F)(F)F)nc12 ZINC000169334029 EI Annotated Anodyne Cc1cccc2c([C@H](O)C[C@H]3CCCCN3)cc(C(F)(F)F)nc12 ZINC000169334030 EI Annotated Anodyne Cc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 ZINC000169334041 EI Annotated Anodyne Cc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 ZINC000169334043 EI Annotated Anodyne Cc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 ZINC000169334045 EI Annotated Anodyne Cc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1 ZINC000169334046 EI Annotated Anodyne O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3=O)ccc1O ZINC000169334165 EI Annotated Clean O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 ZINC000169334806 EI Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 ZINC000169334807 EI Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 ZINC000169334809 EI Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 ZINC000169334811 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@H]3[C@@H]12 ZINC000169335107 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@H]([C@@H]1[C@@H]53)[C@H]24 ZINC000169335109 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@@H]12 ZINC000169335111 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@H]([C@@H]1[C@H]35)[C@H]24 ZINC000169335113 EI Annotated Anodyne Cc1cc(C)c2ccc(=O)n(CCN3C(C)(C)CCCC3(C)C)c2n1 ZINC000169336348 EI Annotated Anodyne C[N+](C)(C)C[C@H]1[C@@H](COC(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 ZINC000169336781 EI Annotated Bother C[N+](C)(C)C[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 ZINC000169336782 EI Annotated Bother C[N+](C)(C)C[C@@H]1[C@@H](COC(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 ZINC000169336785 EI Annotated Bother C[N+](C)(C)C[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 ZINC000169336786 EI Annotated Bother CC(C)(C)c1ccc(C[S@@](=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000169337043 EI Annotated Clean CC(C)(C)c1ccc(C[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000169337046 EI Annotated Clean O=[S@@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000169337048 EI Annotated Clean O=[S@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000169337050 EI Annotated Clean C=CCOc1ccc(-c2noc(-c3ccc(Cl)cc3N)n2)cc1 ZINC000169337446 EI Annotated Mild N#CCCN(CCC#N)C[C@@H](O)c1cc2ccccc2c2ccccc12 ZINC000169338164 EI Annotated Mild N#CCCN(CCC#N)C[C@H](O)c1cc2ccccc2c2ccccc12 ZINC000169338165 EI Annotated Mild C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1cccs1 ZINC000169338312 EI Annotated Mild COc1cc2ccc([C@@](O)(c3ccncc3)C(C)C)cc2cc1OC ZINC000169338909 EI Annotated Anodyne COc1cc2ccc([C@](O)(c3ccncc3)C(C)C)cc2cc1OC ZINC000169338911 EI Annotated Anodyne Oc1cc2ccc3c(c2cc1O)CCc1cnn(-c2ccc(F)cc2)c1-3 ZINC000169339084 EI Annotated Clean Cc1ccc(-c2nc3ccc(Cl)cc3c3nnc(S)n23)cc1 ZINC000169339875 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000169340186 EI Annotated Anodyne CCc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 ZINC000169340307 EI Annotated Anodyne Clc1cccc(-n2cc(CSc3nc4ccccc4o3)nn2)c1 ZINC000169340311 EI Annotated Anodyne Clc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 ZINC000169340314 EI Annotated Anodyne Clc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1 ZINC000169340316 EI Annotated Anodyne Cc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1C ZINC000169340326 EI Annotated Anodyne CCCC/C(=C\c1ccc(OCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] ZINC000169340561 EI Annotated Anodyne Cc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 ZINC000169342977 EI Annotated Bother O=CNc1cc(C(=O)O)cc(NCc2ccccc2)c1-c1ccccc1 ZINC000169343296 EI Annotated Anodyne CCCOc1cccc2c1C(=O)c1c(OCCC)cc(C)cc1C2=O ZINC000169343708 EI Annotated Clean CCC(Nc1cccc(O)c1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000169343847 EI Annotated Mild CCC(Nc1ccc(O)cc1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000169343849 EI Annotated Mild C[C@H]1CCc2c(c3c(O)cc([C@@H](C)CCCN(C)C)cc3oc2=O)C1 ZINC000169344063 EI Annotated Anodyne C[C@H]1CCc2c(c3c(O)cc([C@H](C)CCCN(C)C)cc3oc2=O)C1 ZINC000169344064 EI Annotated Anodyne C[C@@H](CCCN(C)C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 ZINC000169344065 EI Annotated Anodyne C[C@@H]1CCc2c(c3c(O)cc([C@H](C)CCCN(C)C)cc3oc2=O)C1 ZINC000169344066 EI Annotated Anodyne CC(Nc1cccc(F)c1F)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000169344569 EI Annotated Mild CC(Nc1c(F)cccc1F)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000169344570 EI Annotated Mild COc1ccccc1NC(C)=C1C(=O)CC(Cc2ccccc2)CC1=O ZINC000169344574 EI Annotated Mild COc1ccccc1NC(C)=C1C(=O)CC(c2ccccc2C)CC1=O ZINC000169344575 EI Annotated Mild CN(C)C[C@@H](Br)c1ccc(Cl)c(Br)c1 ZINC000169345643 EI Annotated Reactive CN(C)C[C@H](Br)c1ccc(Cl)c(Br)c1 ZINC000169345644 EI Annotated Reactive CN(C)C[C@@H](Br)c1ccc(Br)c(Cl)c1 ZINC000169345651 EI Annotated Reactive CN(C)C[C@H](Br)c1ccc(Br)c(Cl)c1 ZINC000169345654 EI Annotated Reactive C[C@@]12CCCC[C@@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O ZINC000169345774 EI Annotated Anodyne C[C@]12CCCC[C@@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O ZINC000169345775 EI Annotated Anodyne C[C@@]12CCCC[C@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O ZINC000169345776 EI Annotated Anodyne C[C@]12CCCC[C@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O ZINC000169345777 EI Annotated Anodyne Cc1cc(/C=C/C(=O)c2ccco2)cc(/C=N/c2nccs2)c1O ZINC000169345836 EI Annotated Mild Cc1cc(COc2cc(C)nn2C2CCCC2)n(-c2ccccc2)n1 ZINC000169346035 EI Annotated Anodyne O=C1Nc2ccccc2[C@@H](O)C1(Cc1ccccc1)Cc1ccccc1 ZINC000169346064 EI Annotated Anodyne O=C1Nc2ccccc2[C@H](O)C1(Cc1ccccc1)Cc1ccccc1 ZINC000169346066 EI Annotated Anodyne Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCCC(=O)O ZINC000169347024 EI Annotated Bother Clc1ccccc1[C@@H]1CCN(c2ccc3c(c2)CCNCC3)C1 ZINC000169347280 EI Annotated Anodyne Clc1ccccc1[C@H]1CCN(c2ccc3c(c2)CCNCC3)C1 ZINC000169347281 EI Annotated Anodyne COc1ccccc1NC(C)=C1C(=O)CC(c2cccc(C)c2)CC1=O ZINC000169347534 EI Annotated Mild COc1ccccc1NC(C)=C1C(=O)CC(c2ccc(C)cc2)CC1=O ZINC000169347536 EI Annotated Mild COc1cccc(C2CC(=O)C(=C(C)Nc3ccccc3C)C(=O)C2)c1 ZINC000169347544 EI Annotated Mild CC(Nc1ccccc1C)=C1C(=O)CC(c2cccc(O)c2)CC1=O ZINC000169347546 EI Annotated Mild COc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000169348319 EI Annotated Anodyne COC(=O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12 ZINC000169348649 EI Annotated Anodyne C[C@@H](c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21 ZINC000169348916 EI Annotated Anodyne C[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21 ZINC000169348917 EI Annotated Anodyne CCOc1ccc2[nH]c(C(=O)OC)cc2c1OCC1CCCCC1 ZINC000169349116 EI Annotated Anodyne CCCN(CCC)C(=O)/C=C/c1ccc2cc3c(cc2c1)OCO3 ZINC000169349640 EI Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cccc2cc3c(cc12)OCO3 ZINC000169349645 EI Annotated Anodyne C/C=C/[C@H]1C/C=C/C[C@@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 ZINC000169349778 EI Annotated Reactive CN[C@@H](c1ccnc(Nc2ccc(C#N)cc2)n1)c1ccccc1Cl ZINC000169350571 EI Annotated Mild CN[C@H](c1ccnc(Nc2ccc(C#N)cc2)n1)c1ccccc1Cl ZINC000169350574 EI Annotated Mild COc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)nc1 ZINC000169350828 EI Annotated Anodyne N#Cc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000169351460 EI Annotated Mild N#Cc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1 ZINC000169351461 EI Annotated Mild CN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc(O)c2)c1 ZINC000169351563 EI Annotated Anodyne CC(=O)c1ccccc1-c1ccc(CC(=O)NCc2ccco2)cc1 ZINC000169351974 EI Annotated Anodyne CC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1 ZINC000169351980 EI Annotated Anodyne O=c1cc(Cc2c(F)cccc2Cl)nc(SC2CCCC2)[nH]1 ZINC000169352168 EI Annotated Anodyne CC(C)Sc1nc([C@@H](C)c2c(F)cccc2Cl)cc(=O)[nH]1 ZINC000169352179 EI Annotated Anodyne CC(C)Sc1nc([C@H](C)c2c(F)cccc2Cl)cc(=O)[nH]1 ZINC000169352180 EI Annotated Anodyne CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC(C)C)[nH]c1=O ZINC000169352238 EI Annotated Anodyne CCc1c([C@H](C)c2c(F)cccc2F)nc(SC(C)C)[nH]c1=O ZINC000169352240 EI Annotated Anodyne CCCSc1nc([C@@H](C)c2c(F)cccc2F)c(CC)c(=O)[nH]1 ZINC000169352242 EI Annotated Anodyne CCCSc1nc([C@H](C)c2c(F)cccc2F)c(CC)c(=O)[nH]1 ZINC000169352244 EI Annotated Anodyne CCCSc1nc([C@@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000169352535 EI Annotated Anodyne CCCSc1nc([C@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000169352536 EI Annotated Anodyne CCc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1 ZINC000169352725 EI Annotated Anodyne O=C(/C=C/c1ccc(N2CCCC2)cc1)[C@@H]1CCc2ccccc2C1=O ZINC000169353207 EI Annotated Mild O=C(/C=C/c1ccc(N2CCCC2)cc1)[C@H]1CCc2ccccc2C1=O ZINC000169353209 EI Annotated Mild CCCN(CCC)Cc1oc2c(c1C)C(=O)C(=O)c1ccccc1-2 ZINC000169353274 EI Annotated Clean COc1ccc(NCc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)cc1 ZINC000169353282 EI Annotated Clean Cc1c(CNc2ccc(F)cc2)oc2c1C(=O)C(=O)c1ccccc1-2 ZINC000169353731 EI Annotated Clean COc1cccc(NCc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)c1 ZINC000169353736 EI Annotated Clean COc1ccccc1NCc1oc2c(c1C)C(=O)C(=O)c1ccccc1-2 ZINC000169353741 EI Annotated Clean O=C1NCCn2c1cc1cc(F)cc(-c3ccc(C(F)(F)F)cc3)c12 ZINC000169353888 EI Annotated Anodyne CCN1CCN(c2nc(-c3cccs3)cc3cc(C)ccc23)CC1 ZINC000169353968 EI Annotated Anodyne CCN1CCN(c2nc(-c3cccs3)cc3ccc(C)cc23)CC1 ZINC000169353976 EI Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000169354729 EI Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC1 ZINC000169354730 EI Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC/C(C)=C\CC1 ZINC000169354731 EI Annotated Anodyne C=C(CO[C@@H]1C=C[C@@H](c2ccccc2)O[C@@H]1COC)c1ccccc1 ZINC000169354949 EI Annotated Mild COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C\c1ccccc1)C2 ZINC000169354966 EI Annotated Anodyne COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C/c1ccccc1)C2 ZINC000169354967 EI Annotated Anodyne COC[C@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C\c1ccccc1)C2 ZINC000169354968 EI Annotated Anodyne COC[C@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C/c1ccccc1)C2 ZINC000169354969 EI Annotated Anodyne CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C ZINC000169357395 EI Annotated Anodyne CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C ZINC000169357396 EI Annotated Anodyne Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1CCCc1cccnc1 ZINC000169359967 EI Annotated Anodyne COc1ccc2c(c1)[C@@H]1CN(C)[C@@H]2Cc2ccc(Br)cc21 ZINC000169360172 EI Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC/C(C)=C/CC1 ZINC000169360961 EI Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC1 ZINC000169360962 EI Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC/C(C)=C\CC1 ZINC000169360963 EI Annotated Anodyne C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](OC)(C/C(C)=C\[C@@H](O)C1)OC3=O ZINC000169361805 EI Annotated Mild Clc1ccc(NCc2ccc3cc2OCC#C/C=C/C#CCO3)cc1 ZINC000169363250 EI Annotated Mild Cc1ccc(/N=C/c2ccc3cc2OCC#C/C=C/C#CCO3)cc1 ZINC000169363259 EI Annotated Mild Clc1ccc(/N=C/c2ccc3cc2OCC#C/C=C/C#CCO3)cc1 ZINC000169363349 EI Annotated Mild O=C(O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000169363751 EI Annotated Clean O=C(O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000169363752 EI Annotated Clean CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169365639 EI Annotated Anodyne CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169365667 EI Annotated Anodyne CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169365668 EI Annotated Anodyne CC(C)CCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169365669 EI Annotated Anodyne CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169365670 EI Annotated Anodyne C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 ZINC000169365724 EI Annotated Reactive C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]23OO4 ZINC000169365726 EI Annotated Reactive C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCc5ccccc5)CC[C@@H]1[C@]23OO4 ZINC000169365728 EI Annotated Reactive CCCCOC(=O)O[C@@H]1CC[C@@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C ZINC000169367699 EI Annotated Reactive CCCCOC(=O)O[C@H]1CC[C@@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C ZINC000169367700 EI Annotated Reactive CCCCOC(=O)O[C@@H]1CC[C@]2(C)C[C@@H]3CC[C@@]2(OO3)C1(C)C ZINC000169367702 EI Annotated Reactive c1ccc([C@@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 ZINC000169368508 EI Annotated Reactive c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 ZINC000169368509 EI Annotated Reactive c1ccc([C@@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 ZINC000169368511 EI Annotated Reactive c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@@H]3C2)cc1 ZINC000169368513 EI Annotated Reactive CC(C)=CCC(=O)[C@@]1(O)C(O)=C([C@@H](C)C(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000169369188 EI Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(O)=C([C@@H](C)C(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000169369189 EI Annotated Mild CC(C)=CCC(=O)[C@@]1(O)C(O)=C([C@H](C)C(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000169369191 EI Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(O)=C([C@H](C)C(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000169369192 EI Annotated Mild C[C@@H]1CC(=O)C([C@H]2C3=C(C[C@H](C)CC3=O)Oc3ccccc32)=C(O)C1 ZINC000169370509 EI Annotated Mild C[C@@H]1CC(=O)C([C@@H]2C3=C(C[C@H](C)CC3=O)Oc3ccccc32)=C(O)C1 ZINC000169370510 EI Annotated Mild C[C@@H]1CC(=O)C2=C(C1)Oc1ccccc1[C@@H]2C1=C(O)C[C@@H](C)CC1=O ZINC000169370511 EI Annotated Mild Fc1ccc([C@@H]2OO[C@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 ZINC000169370703 EI Annotated Reactive CC/C=C\C/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC ZINC000169371079 EI Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC ZINC000169371082 EI Annotated Anodyne Fc1ccc([C@@]23CCC[C@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 ZINC000169371648 EI Annotated Reactive Fc1ccc([C@]23CCC[C@@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 ZINC000169371649 EI Annotated Reactive COC(=O)[C@@]1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)CCC1=CC(=O)OC1 ZINC000169378401 EI Annotated Anodyne C/C(=C/CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)CO ZINC000169414780 EI Annotated Anodyne Fc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccc(Br)s3)N2O1 ZINC000169434704 EI Annotated Anodyne C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C/SC)[C@@H]2C ZINC000169498615 EI Annotated Mild CC1(C)[C@H]2C[C@](C)(O)[C@@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)C[C@H]21 ZINC000169546823 EI Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3Cc4cc(OC(F)(F)F)ccc4N2O3)o1 ZINC000169551289 EI Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000169601065 EI Annotated Mild in-man C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCC1=CCOC1=O ZINC000169601067 EI Annotated Mild in-man C/C1=C/CC[C@@H](CO)CCC[C@@H](CO)CC[C@@H](C(C)(C)O)CC1 ZINC000169606575 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000169639607 EI Annotated Anodyne C=C1C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)C ZINC000169644521 EI Annotated Mild Cc1ccc(O)cc1CCC1=C2CC[C@@H]3[C@H](C)N(C)C[C@]23CCC1=O ZINC000169648588 EI Annotated Mild CC(=O)O[C@H]1C[C@H](C)[C@H]2CC=C(C)C3=CC[C@]4(C)C(=O)C[C@@H]1[C@@]2(C)[C@H]34 ZINC000169654239 EI Annotated Anodyne COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 ZINC000169682997 EI Annotated Clean COc1cc([N+](=O)[O-])cc2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 ZINC000169682999 EI Annotated Clean COc1cccc(-c2c[nH]c3c(/N=N/Cc4ccncc4)ncnc23)c1 ZINC000169685221 EI Annotated Clean COc1cccc(-n2ccc3c(/N=N/Cc4ccncc4)ncnc32)c1 ZINC000169685223 EI Annotated Clean Oc1cc(O)c(O)c(/C=C/c2cccc(CCc3ccccc3)c2)c1O ZINC000169685526 EI Annotated Clean CCOC(=O)[C@@H](C#N)/C=N/c1ccc2c(c1)c1ccccc1n2CC ZINC000169685575 EI Annotated Mild CCOC(=O)[C@H](C#N)/C=N/c1ccc2c(c1)c1ccccc1n2CC ZINC000169685576 EI Annotated Mild COC/C=N/c1c(Cl)c(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169687471 EI Annotated Mild C[C@H]([C@H]1C[C@@H]2CC[C@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N ZINC000169688143 EI Annotated Anodyne C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N ZINC000169688144 EI Annotated Anodyne C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N ZINC000169688145 EI Annotated Anodyne C[C@H]([C@H]1C[C@H]2CC[C@@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N ZINC000169688146 EI Annotated Anodyne CC(C)[C@@H]1c2c(-c3ccc4ccccc4c3)n[nH]c2OC(=N)[C@@H]1C#N ZINC000169688278 EI Annotated Mild CC(C)[C@H]1c2c(-c3ccc4ccccc4c3)n[nH]c2OC(=N)[C@@H]1C#N ZINC000169688279 EI Annotated Mild COc1cc(C/N=N/c2ncnc3sc4c(c23)CCC4)ccc1O ZINC000169688291 EI Annotated Clean Cc1nc(/N=N/Cc2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1 ZINC000169688301 EI Annotated Clean Cc1ccc([C@@H]2c3c(-c4cccs4)n[nH]c3OC(=N)[C@@H]2C#N)s1 ZINC000169688399 EI Annotated Mild Cc1ccc([C@H]2c3c(-c4cccs4)n[nH]c3OC(=N)[C@@H]2C#N)s1 ZINC000169688400 EI Annotated Mild N#C[C@@H]1C(=N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000169688407 EI Annotated Mild N#C[C@H]1C(=N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000169688408 EI Annotated Mild N#C[C@@H]1C(=N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 ZINC000169688409 EI Annotated Mild N#C[C@H]1C(=N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 ZINC000169688410 EI Annotated Mild Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000169688411 EI Annotated Anodyne Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000169688412 EI Annotated Anodyne NC(=O)c1ccccc1/N=C/CC(=O)c1ccc(Cl)cc1Cl ZINC000169688431 EI Annotated Mild O=C(O)c1cc(/N=N/Cc2ccc3c(c2)OCCO3)ccc1Cl ZINC000169688466 EI Annotated Clean O=C(C/C=N/c1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000169688491 EI Annotated Mild N#CC1=C2Sc3ccccc3N2C(=N)[C@@H](C#N)[C@@H]1c1ccccc1 ZINC000169688638 EI Annotated Reactive N#CC1=C2Sc3ccccc3N2C(=N)[C@H](C#N)[C@@H]1c1ccccc1 ZINC000169688639 EI Annotated Reactive O=C(C/C=N/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000169688854 EI Annotated Mild CCOc1ccc(/N=C/CC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000169689309 EI Annotated Mild C=CCn1c(-n2c(O)cc(Cc3ccccc3)c2O)nc2ccccc21 ZINC000169689418 EI Annotated Mild O=c1c([N+](=O)[O-])cc(Cl)c[c-]1C/N=N/c1nc2ccccc2s1 ZINC000169689503 EI Annotated Clean C[n+]1ccc(C/N=N/c2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 ZINC000169689557 EI Annotated Mild Cc1cc(C)n(C(=O)[C@@H](C#N)/N=N/c2cc(Cl)cc(Cl)c2)n1 ZINC000169689566 EI Annotated Mild Cc1cc(C)n(C(=O)[C@H](C#N)/N=N/c2cc(Cl)cc(Cl)c2)n1 ZINC000169689567 EI Annotated Mild C/C(=C\c1ccco1)[C@@H]1c2c(-c3ccccc3)n[nH]c2OC(=N)[C@@H]1C#N ZINC000169689712 EI Annotated Mild C/C(=C\c1ccco1)[C@H]1c2c(-c3ccccc3)n[nH]c2OC(=N)[C@@H]1C#N ZINC000169689713 EI Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccsc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169689724 EI Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@H](c2ccsc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169689725 EI Annotated Mild COc1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1Br ZINC000169689780 EI Annotated Clean CC1=CCc2c(c(O)n(-c3ccc(C)c(Br)c3)c2O)C1 ZINC000169689949 EI Annotated Anodyne COc1ccc(-n2c(O)cc(-c3ccc(OC(C)C)cc3)c2O)cc1 ZINC000169689950 EI Annotated Anodyne Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@@H]3c2cccs2)cc1 ZINC000169690854 EI Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@H]3c2cccs2)cc1 ZINC000169690855 EI Annotated Mild Cc1cc(C)nc(Sc2cc(O)n(-c3ccc(C)c(C)c3)c2O)n1 ZINC000169691404 EI Annotated Anodyne CCOC(=O)C[C@@H](/N=N/c1ncnc2ccccc12)c1ccccc1 ZINC000169691589 EI Annotated Clean CCOC(=O)C[C@H](/N=N/c1ncnc2ccccc12)c1ccccc1 ZINC000169691590 EI Annotated Clean Cc1ccc(-n2c(O)cc(Sc3ccccc3C(=O)O)c2O)cc1 ZINC000169691637 EI Annotated Anodyne COc1ccc(C/N=N/c2snc(SC)c2C#N)cc1OC ZINC000169691890 EI Annotated Mild Cc1oc(C)c2c(=O)ccc3c(c12)OC(=N)[C@H](C#N)[C@@H]3c1ccccc1 ZINC000169692308 EI Annotated Mild Cc1oc(C)c2c(=O)ccc3c(c12)OC(=N)[C@H](C#N)[C@H]3c1ccccc1 ZINC000169692309 EI Annotated Mild CC1=NC(=O)N[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)OC(C)(C)C ZINC000169693316 EI Annotated Anodyne CC1=NC(=O)N[C@H](c2cccc3ccccc23)[C@@H]1C(=O)OC(C)(C)C ZINC000169693317 EI Annotated Anodyne CC1=NC(=O)N[C@@H](c2cccc3ccccc23)[C@H]1C(=O)OC(C)(C)C ZINC000169693318 EI Annotated Anodyne CC1=NC(=O)N[C@H](c2cccc3ccccc23)[C@H]1C(=O)OC(C)(C)C ZINC000169693319 EI Annotated Anodyne Cc1cc(/N=N/Cc2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 ZINC000169693549 EI Annotated Clean N#C[C@@H]1C(=N)Oc2cc(Nc3ccccc3)ccc2[C@@H]1c1ccncc1 ZINC000169693815 EI Annotated Mild N#C[C@H]1C(=N)Oc2cc(Nc3ccccc3)ccc2[C@@H]1c1ccncc1 ZINC000169693816 EI Annotated Mild O=C1C/C(=N\c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000169693818 EI Annotated Mild Cc1ccc(/N=C/[C@@H](C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 ZINC000169693928 EI Annotated Mild Cc1ccc(/N=C/[C@H](C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 ZINC000169693929 EI Annotated Mild Cc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1 ZINC000169700017 EI Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)CO1 ZINC000169701154 EI Annotated Anodyne CCCNC(=O)c1ccc(-n2c(C)nc3cc(Cl)ccc32)s1 ZINC000169701597 EI Annotated Anodyne Cc1nc2cc3ccccc3cc2n1-c1ccc(C(=O)NC2CC2)s1 ZINC000169701627 EI Annotated Anodyne CC1=NN=C(c2cc3ccccc3s2)c2cc3oc(=O)[nH]c3cc2C1 ZINC000169703946 EI Annotated Anodyne Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cncc2nccn12 ZINC000169705966 EI Annotated Anodyne Cc1ncnc(C#N)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F ZINC000169705967 EI Annotated Mild Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncnc1C#N ZINC000169705968 EI Annotated Mild Cc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1 ZINC000169705970 EI Annotated Anodyne Cc1cc(Oc2nccc3n[nH]cc23)c(F)cc1-c1c(C)ncnc1C ZINC000169705980 EI Annotated Anodyne C[C@@H]1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000169708924 EI Annotated Anodyne C[C@H]1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000169708925 EI Annotated Anodyne C[C@@H]1CCCN1c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000169708926 EI Annotated Anodyne C[C@H]1CCCN1c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000169708927 EI Annotated Anodyne CC(C)N(CCS[C@@H](N=O)C(=O)c1ccc(Cl)cc1)C(C)C ZINC000169713390 EI Annotated Anodyne CC(C)N(CCS[C@H](N=O)C(=O)c1ccc(Cl)cc1)C(C)C ZINC000169713391 EI Annotated Anodyne CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1 ZINC000169714673 EI Annotated Anodyne CCC/C=C\Cc1ccccc1C#CCCc1oc(O)c(O)c1O ZINC000169715568 EI Annotated Mild Cc1c(/C=C/CNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O ZINC000169716708 EI Annotated Anodyne Cc1c(/C=C/CCNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O ZINC000169716750 EI Annotated Anodyne CCO/N=C(\CC)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O ZINC000169717739 EI Annotated Mild Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@@H]1C=C[C@@H]2[C@H]2C[C@@H]12 ZINC000169718553 EI Annotated Anodyne Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@@H]2[C@@H]2C[C@H]12 ZINC000169718554 EI Annotated Anodyne Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@@H]2[C@H]2C[C@H]21 ZINC000169718555 EI Annotated Anodyne Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000169718556 EI Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3CC2)ccc1Br ZINC000169718560 EI Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3CC2)ccc1Br ZINC000169718561 EI Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3CC2)ccc1Br ZINC000169718562 EI Annotated Anodyne O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3CC2)c2ccccc12 ZINC000169718569 EI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3CC2)c2ccccc12 ZINC000169718570 EI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3CC2)c2ccccc12 ZINC000169718571 EI Annotated Bother Cc1cc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3C2)ccc1Br ZINC000169718587 EI Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)ccc1Br ZINC000169718588 EI Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)ccc1Br ZINC000169718589 EI Annotated Anodyne O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3C2)c2ccccc12 ZINC000169718608 EI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)c2ccccc12 ZINC000169718609 EI Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)c2ccccc12 ZINC000169718610 EI Annotated Bother Oc1cc2nc3ccccc3nc2c2c(O)c3ccccc3c(O)c12 ZINC000169719728 EI Annotated Clean C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000169720215 EI Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000169720216 EI Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000169720217 EI Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O ZINC000169720218 EI Annotated Anodyne C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O ZINC000169720231 EI Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O ZINC000169720232 EI Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O ZINC000169720233 EI Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O ZINC000169720234 EI Annotated Anodyne C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O ZINC000169720239 EI Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O ZINC000169720240 EI Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O ZINC000169720241 EI Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O ZINC000169720242 EI Annotated Anodyne Cc1ccc(Cl)cc1Nc1nccc([C@@H]2C=NN3C=CC=C[C@@H]23)n1 ZINC000169720366 EI Annotated Anodyne Cc1ccc(Cl)cc1Nc1nccc([C@H]2C=NN3C=CC=C[C@@H]23)n1 ZINC000169720367 EI Annotated Anodyne Cc1ccc(Cl)cc1Nc1nccc([C@@H]2C=NN3C=CC=C[C@H]23)n1 ZINC000169720368 EI Annotated Anodyne Cc1ccc(Cl)cc1Nc1nccc([C@H]2C=NN3C=CC=C[C@H]23)n1 ZINC000169720369 EI Annotated Anodyne N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000169721905 EI Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000169721906 EI Annotated Mild Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c(C)c1 ZINC000169722670 EI Annotated Anodyne Cc1ccc(C)c(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1 ZINC000169722671 EI Annotated Anodyne Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1C ZINC000169722673 EI Annotated Anodyne O=c1[nH]c(O)c(Cc2ccc(Oc3ccccc3Cl)cc2)s1 ZINC000169722675 EI Annotated Anodyne COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2Cl)c1 ZINC000169723211 EI Annotated Clean COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)c1 ZINC000169723225 EI Annotated Clean COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(Cl)cc2)c1 ZINC000169723226 EI Annotated Clean COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1 ZINC000169723235 EI Annotated Clean COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(Cl)cc2)cc1 ZINC000169723236 EI Annotated Clean O=Nc1c([C@@H]2C(=O)Nc3ccc(F)cc32)[nH]c2ccc(Cl)cc12 ZINC000169723364 EI Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3ccc(F)cc32)[nH]c2ccc(Cl)cc12 ZINC000169723365 EI Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3ccc(Cl)cc32)[nH]c2ccc(F)cc12 ZINC000169723369 EI Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3ccc(Cl)cc32)[nH]c2ccc(F)cc12 ZINC000169723370 EI Annotated Anodyne Cc1ccc2[nH]c(-[c-]3c(=O)[nH]c4ccc([N+](=O)[O-])cc43)c(N=O)c2c1 ZINC000169723375 EI Annotated Bother CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2)[C@@H]1C#N ZINC000169724001 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2)[C@@H]1C#N ZINC000169724002 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2)[C@H]1C#N ZINC000169724003 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2)[C@H]1C#N ZINC000169724004 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@](C)(c2ccc(F)cc2)[C@@H]1C#N ZINC000169724005 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@](C)(c2ccc(F)cc2)[C@@H]1C#N ZINC000169724006 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@](C)(c2ccc(F)cc2)[C@H]1C#N ZINC000169724007 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@](C)(c2ccc(F)cc2)[C@H]1C#N ZINC000169724008 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2F)[C@@H]1C#N ZINC000169724009 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2F)[C@@H]1C#N ZINC000169724010 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2F)[C@H]1C#N ZINC000169724011 EI Annotated Mild CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2F)[C@H]1C#N ZINC000169724012 EI Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724139 EI Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724140 EI Annotated Mild CC1=Nc2[nH]ncc2[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724248 EI Annotated Anodyne CC1=Nc2[nH]ncc2[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724249 EI Annotated Anodyne CC1=Nc2[nH]ncc2[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724250 EI Annotated Anodyne CC1=Nc2[nH]ncc2[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724251 EI Annotated Anodyne O=C1Cc2c3cn(Cc4ccccc4)ccc-3nc2-c2ccccc2N1 ZINC000169724837 EI Annotated Clean O=[N+]([O-])c1cccc(-c2csc(/N=N/Cc3ccccn3)n2)c1 ZINC000169724991 EI Annotated Clean CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(C(C)(C)C)c1O ZINC000169725009 EI Annotated Anodyne C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cc(Cl)cc(Cl)c2)c1O ZINC000169727161 EI Annotated Anodyne C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cc(Cl)cc(Cl)c2)c1O ZINC000169727162 EI Annotated Anodyne C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cc(Cl)cc(Cl)c2)c1O ZINC000169727163 EI Annotated Anodyne C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727173 EI Annotated Anodyne C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727174 EI Annotated Anodyne C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727175 EI Annotated Anodyne Oc1c2c(c(O)n1-c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[C@@H]2O1 ZINC000169727186 EI Annotated Anodyne Oc1c2c(c(O)n1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@@H]2O1 ZINC000169727187 EI Annotated Anodyne Oc1c2c(c(O)n1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@H]2O1 ZINC000169727188 EI Annotated Anodyne Cc1cc(/N=N/Cc2ccc(C#N)cc2)c2cc3c(cc2n1)OCO3 ZINC000169727994 EI Annotated Mild CN(CCc1ccccc1)C(=O)c1csc2c1CCC[C@@H]2N=O ZINC000169728456 EI Annotated Anodyne CN(CCc1ccccc1)C(=O)c1csc2c1CCC[C@H]2N=O ZINC000169728457 EI Annotated Anodyne CCCCc1cc(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)c(Cl)[nH]1 ZINC000169729449 EI Annotated Anodyne CCCCc1cc(C2=NO[C@H](C(=O)Oc3ccccc3)C2)c(Cl)[nH]1 ZINC000169729450 EI Annotated Anodyne C[C@H]1c2[nH]c3c(ccc4ccccc43)c2Cc2c(O)n(C)c(=S)n21 ZINC000169729599 EI Annotated Anodyne C[C@H]1c2[nH]c3cc4ccccc4cc3c2Cc2c(O)n(C)c(=S)n21 ZINC000169729600 EI Annotated Anodyne C[C@H]1c2[nH]c3ccc4ccccc4c3c2Cc2c(O)n(C)c(=S)n21 ZINC000169729601 EI Annotated Anodyne O=C(NCC1CC1)c1c(O)csc1Nc1ccc2ccccc2c1 ZINC000169730408 EI Annotated Clean CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 ZINC000169955705 EI Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C(=O)O)CC/C=C(\C)CC[C@@H]12 ZINC000017063559 EI Annotated Mild COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(CO)[C@H](CC[C@H]12)C3 ZINC000017140609 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)CC[C@H]12 ZINC000017140611 EI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(CO)[C@H](CC[C@@H]21)C3 ZINC000017140613 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)CC[C@@H]21 ZINC000017140615 EI Annotated Anodyne CCO/C=C\[C@@]12CCC[C@@H]1NC(c1ccccc1)(c1ccccc1)O2 ZINC000017176692 EI Annotated Anodyne COc1ccc(/C=C2\CC[C@@](CCN(C)C)(C3=CCCC3)C2=O)cc1 ZINC000017198853 EI Annotated Mild COc1ccc(/C=C2\CC[C@](CCN(C)C)(C3=CCCC3)C2=O)cc1 ZINC000017198854 EI Annotated Mild COc1ccccc1/C=C1\CC[C@@](CCN(C)C)(C2=CCCC2)C1=O ZINC000017198856 EI Annotated Mild COc1ccccc1/C=C1\CC[C@](CCN(C)C)(C2=CCCC2)C1=O ZINC000017198858 EI Annotated Mild COc1cccc(/C=C2\CC[C@@](CCN(C)C)(C3=CCCC3)C2=O)c1 ZINC000017198860 EI Annotated Mild COc1cccc(/C=C2\CC[C@](CCN(C)C)(C3=CCCC3)C2=O)c1 ZINC000017198862 EI Annotated Mild COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C=CC=C[C@@H]12 ZINC000017213082 EI Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C=CC=C[C@@H]12 ZINC000017213085 EI Annotated Anodyne CS/C(C)=N/OC(=O)NCCCCNc1ccc(N=[N+]=[N-])cc1 ZINC000017213679 EI Annotated Mild O[C@@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 ZINC000017220214 EI Annotated Anodyne O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 ZINC000017220217 EI Annotated Anodyne CC1(C)[C@H]2C[C@@](C)(Cl)[C@@H](Sc3nnnn3-c3ccccc3)C[C@H]21 ZINC000017220791 EI Annotated Anodyne CC1(C)[C@H]2C[C@](C)(Cl)[C@@H](Sc3nnnn3-c3ccccc3)C[C@H]21 ZINC000017220794 EI Annotated Anodyne COC(=O)/C=C(/C(=O)OC)c1c(C)c(C)c2c(C)cc(C)cc(C)c1-2 ZINC000017253211 EI Annotated Anodyne NC1=Nc2cc(C(F)(F)F)ccc2Sc2nc3ccccc3n21 ZINC000017255520 EI Annotated Anodyne Nc1nc(-c2ccccc2)cn1/N=C/c1cccc(Cl)c1Cl ZINC000017372496 EI Annotated Mild Cn1c(O)c(/N=N\C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000017424742 EI Annotated Clean C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@@H]1c1cccs1 ZINC000017511186 EI Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@H]1c1cccs1 ZINC000017511188 EI Annotated Reactive Cc1ccnc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc12 ZINC000017595920 EI Annotated Reactive O=C1C(O)=C/C(=N\c2ccc(Cc3ccncc3)cc2)c2ccccc21 ZINC000017783074 EI Annotated Mild CCCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000017822657 EI Annotated Clean Cc1cc(C)n2[nH]c(=O)c(/N=N\c3cccc(C(F)(F)F)c3)c2n1 ZINC000017887957 EI Annotated Clean O=C(c1ccccc1)N1[C@H]2CC[C@@H]1C(C(F)(F)F)=C2C(F)(F)F ZINC000017888939 EI Annotated Anodyne C[C@@H](/N=c1\ccccn1C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000017919578 EI Annotated Anodyne C[C@H]1CCC[C@@H](C)N1N/C=C1\C=Nc2ccc(Br)cc21 ZINC000017950401 EI Annotated Anodyne CN(CCc1nc(-c2ccc(C#N)cc2)cs1)C(=O)OC(C)(C)C ZINC000179151435 EI Annotated Mild C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018037462 EI Annotated Clean C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000018059528 EI Annotated Clean CCOc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(F)cc1F ZINC000018066649 EI Annotated Mild C[C@H](/N=c1\ccccn1C(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000018082918 EI Annotated Anodyne CCOc1ccc2sc(/C=N/CCc3ccccn3)c(O)c2c1 ZINC000018102444 EI Annotated Mild COC1(OC)[C@@]2(Cl)C3=CCCC=C3[C@]1(Cl)C(Cl)=C2Cl ZINC000018127526 EI Annotated Anodyne CC[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 ZINC000018128878 EI Annotated Anodyne C[C@H]1CCC/C1=C(/I)C(=O)c1ccccc1 ZINC000018130440 EI Annotated Mild Cc1occc1C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000018142287 EI Annotated Clean C[C@@H]1CCC/C1=C(/I)C(=O)c1ccccc1 ZINC000018181236 EI Annotated Mild O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1 ZINC000018284847 EI Annotated Clean CCc1cnc(-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)nc1 ZINC000019146772 EI Annotated Anodyne CC1=C(CCN2CCN(C3CCCC3)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000019222542 EI Annotated Anodyne Fc1cccc(-c2n[nH]cc2-c2nc3c(cnn3C3CCCC3)[nH]2)c1 ZINC000019222724 EI Annotated Anodyne COc1ccc(OC)c(-c2cccc(-c3ccn(CCF)n3)c2)c1 ZINC000019226328 EI Annotated Anodyne COc1ccc(-c2cccc(-c3ccn(Cc4nccs4)n3)c2)cn1 ZINC000019229155 EI Annotated Anodyne c1ccc2c3c([nH]c2c1)[C@@H]1[C@@H]2CCCCN2[C@H](c2ccncc2)N1CC3 ZINC000019328087 EI Annotated Anodyne c1ccc2c3c([nH]c2c1)[C@@H]1[C@H]2CCCCN2[C@H](c2ccncc2)N1CC3 ZINC000019328090 EI Annotated Anodyne c1ccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)nc1 ZINC000019328093 EI Annotated Anodyne c1cncc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 ZINC000019328096 EI Annotated Anodyne c1ccc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)nc1 ZINC000019328102 EI Annotated Anodyne c1cncc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 ZINC000019328105 EI Annotated Anodyne CCCCCCCCNC1=NC(C)(C)NC(NCCCCCC)=N1 ZINC000019332459 EI Annotated Mild c1ccc2c3c([nH]c2c1)[C@@H]1[C@@H]2CCCCN2[C@@H](c2ccncc2)N1CC3 ZINC000019339309 EI Annotated Anodyne c1ccc2c3c([nH]c2c1)[C@@H]1[C@H]2CCCCN2[C@@H](c2ccncc2)N1CC3 ZINC000019339313 EI Annotated Anodyne c1ccc2c(c1)CCc1ccccc1C2N1CC(NC2CCCCC2)C1 ZINC000019368331 EI Annotated Anodyne C[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCCN23)cc1 ZINC000194852703 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000194874438 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000194874452 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000194874467 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000194874481 EI Annotated Anodyne CCn1ccnc1Cn1ccc(-c2cccc(-c3ccncc3F)c2)n1 ZINC000019537739 EI Annotated Anodyne CC(C)=CCN1CCN(CCC2=C(C)CCCC2(C)C)C[C@@H]1CCO ZINC000019794800 EI Annotated Anodyne COc1ccc(Br)c2c1CC[C@H]1[C@H](c3ccncc3)[C@H]21 ZINC000195096158 EI Annotated Anodyne CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 ZINC000195174203 EI Annotated Anodyne CS[C@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 ZINC000195174218 EI Annotated Anodyne CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@H]3C=C[C@]12OO3 ZINC000195186473 EI Annotated Reactive CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@H]3C=C[C@]12OO3 ZINC000195186482 EI Annotated Reactive CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@H]3C=C[C@]12OO3 ZINC000195186493 EI Annotated Reactive CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@H]3C=C[C@]12OO3 ZINC000195186505 EI Annotated Reactive c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000195204361 EI Annotated Reactive c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000195204371 EI Annotated Reactive c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000195204379 EI Annotated Reactive c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000195204391 EI Annotated Reactive O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@H]1Cl ZINC000195213058 EI Annotated Reactive CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]24O3 ZINC000195240389 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24O3 ZINC000195240401 EI Annotated Anodyne C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C\C/C(C)=C\CC/C(C)=C/[C@@H]1O ZINC000195241200 EI Annotated Reactive C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C\CC/C(C)=C/[C@@H]1O ZINC000195241219 EI Annotated Reactive CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000195268247 EI Annotated Anodyne CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000195268258 EI Annotated Anodyne CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000195268268 EI Annotated Anodyne CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000195268278 EI Annotated Anodyne C[C@@H]1CC[C@@H]2CCO[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]32OO4 ZINC000195269268 EI Annotated Reactive C[C@@H]1CC[C@H]2CCO[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 ZINC000195269279 EI Annotated Reactive Fc1ccc([C@@H]2OO[C@@H]3CCC[C@@](c4ccccc4)(OO2)O3)cc1 ZINC000195272679 EI Annotated Reactive c1ccc2c(c1)CN(CCN1[C@H]3CC[C@H]1c1c([nH]c4ccccc14)C3)C2 ZINC000195281800 EI Annotated Anodyne COc1cc(/C=C/[N+](=O)[O-])cc(O[Si](C)(C)C(C)(C)C)c1OC ZINC000195282739 EI Annotated Reactive CC(C)(C)[SiH2]O[C@@H]1CC(=O)C(c2ccccc2)=C1c1ccccc1 ZINC000195298186 EI Annotated Reactive CC(C)(C)[SiH2]O[C@H]1CC(=O)C(c2ccccc2)=C1c1ccccc1 ZINC000195298194 EI Annotated Reactive C[C@]12C[C@@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 ZINC000195339293 EI Annotated Anodyne CCN(CC)CCCCN1c2ccccc2O[C@H]2C=CC(Cl)=C[C@H]21 ZINC000195341334 EI Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C ZINC000195345613 EI Annotated Anodyne C[C@@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C ZINC000195345618 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@@H]3[C@H]4[C@@H]5C[C@H]3[C@H]1[C@@H]5C[C@H]42 ZINC000195355177 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@@H]3C[C@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@@H]24 ZINC000195355184 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]([C@H]2C[C@@H]53)[C@@H]41 ZINC000195355190 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]([C@H]2C[C@H]35)[C@@H]41 ZINC000195355199 EI Annotated Anodyne CC(C)c1ccc2c([Si](C)(C)C)c3c(nc2c1)-c1cccc(=O)n1C3 ZINC000195363850 EI Annotated Anodyne C=C1[C@H]2c3ccccc3[C@@H](C[C@@]2(C)O[Si](C)(C)C)N1C(=O)OC ZINC000195374136 EI Annotated Reactive C=C1[C@H]2c3ccccc3[C@H](C[C@@]2(C)O[Si](C)(C)C)N1C(=O)OC ZINC000195374140 EI Annotated Reactive C=C1[C@H]2c3ccccc3[C@@H](C[C@]2(C)O[Si](C)(C)C)N1C(=O)OC ZINC000195374146 EI Annotated Reactive C=C1[C@H]2c3ccccc3[C@H](C[C@]2(C)O[Si](C)(C)C)N1C(=O)OC ZINC000195374153 EI Annotated Reactive CC(C)c1cccc2nc3c(c([Si](C)(C)C)c12)Cn1c-3cccc1=O ZINC000195407574 EI Annotated Anodyne C[C@@H]1CCCC[C@@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 ZINC000195407802 EI Annotated Anodyne C[C@H]1CCCC[C@@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 ZINC000195407814 EI Annotated Anodyne C[C@@H]1CCCC[C@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 ZINC000195407820 EI Annotated Anodyne C[C@H]1CCCC[C@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 ZINC000195407828 EI Annotated Anodyne CC[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000195410759 EI Annotated Anodyne CC[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000195410768 EI Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1C=CC=C[C@@H]12 ZINC000195417096 EI Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C=CC=C[C@@H]12 ZINC000195417103 EI Annotated Anodyne CC(C)c1cccc2c([Si](C)(C)C)c3c(nc12)-c1cccc(=O)n1C3 ZINC000195432985 EI Annotated Anodyne CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C ZINC000195453550 EI Annotated Reactive CC(C)[Si](O[C@]12CC[C@@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C ZINC000195453555 EI Annotated Reactive CC(C)[Si](O[C@@]12CC[C@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C ZINC000195453561 EI Annotated Reactive CC(C)[Si](O[C@]12CC[C@H](C[C@@H]1O)C[C@@H]2C(=O)O)(C(C)C)C(C)C ZINC000195453569 EI Annotated Reactive C=C(CO[C@H]1C=C[C@@H](c2ccccc2)O[C@H]1COC)c1ccccc1 ZINC000195454966 EI Annotated Mild CC1(C)[C@@H]2C[C@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)[C@](C)(O)C[C@H]21 ZINC000195464914 EI Annotated Anodyne CC1(C)[C@@H]2C[C@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)[C@@](C)(O)C[C@H]21 ZINC000195464919 EI Annotated Anodyne CC1(C)[C@H]2C[C@@](C)(O)[C@@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)C[C@H]21 ZINC000195464923 EI Annotated Anodyne C=CC[C@]12O[C@]3(OC)C[C@@H]1[C@@H](C)[C@@H](c1ccccc1)[C@H]2[C@@]3(O)CC=C ZINC000195489956 EI Annotated Mild C=CC[C@]12O[C@@]3(OC)C[C@@H]1[C@@H](C)[C@@H](c1ccccc1)[C@H]2[C@@]3(O)CC=C ZINC000195489963 EI Annotated Mild C=CC[C@]12O[C@]3(OC)C[C@H]1[C@@H](C)[C@@H](c1ccccc1)[C@H]2[C@@]3(O)CC=C ZINC000195489967 EI Annotated Mild C=CC[C@]12O[C@@]3(OC)C[C@H]1[C@@H](C)[C@@H](c1ccccc1)[C@H]2[C@@]3(O)CC=C ZINC000195489971 EI Annotated Mild CC1(C)[C@@H]2C[C@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 ZINC000195504770 EI Annotated Anodyne Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 ZINC000195506217 EI Annotated Reactive Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 ZINC000195506220 EI Annotated Reactive Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@@H]1C(=O)OC(=O)[C@H]21 ZINC000195506222 EI Annotated Reactive Cn1c2c(c3ccccc31)[C@H]1CCCCCC[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 ZINC000195506224 EI Annotated Reactive CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C ZINC000195508217 EI Annotated Reactive CC(C)[Si](O[C@]12CC[C@@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C ZINC000195508220 EI Annotated Reactive CC(C)[Si](O[C@@]12CC[C@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C ZINC000195508223 EI Annotated Reactive CC(C)[Si](O[C@]12CC[C@H](C[C@@H]1O)C[C@@H]2CO)(C(C)C)C(C)C ZINC000195508226 EI Annotated Reactive CC(C)(C)O/C=C1/C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 ZINC000195516424 EI Annotated Reactive CC(C)(C)O/C=C1/C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 ZINC000195516426 EI Annotated Reactive CC(C)(C)O/C=C1/C(=O)O[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 ZINC000195516428 EI Annotated Reactive CC(C)(C)O/C=C1/C(=O)O[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 ZINC000195516430 EI Annotated Reactive COc1cc(/C(C)=C/C(C)=C\c2ccc([N+](=O)[O-])cc2)oc(=O)c1C ZINC000195794069 EI Annotated Bother Cn1c(O[Si](C)(C)C)cnc1N([Si](C)(C)C)[Si](C)(C)C ZINC000195807809 EI Annotated Reactive in-vitro COc1cc([C@@H]2c3cc(O)c(OC)cc3C=C(C)[C@H]2C)ccc1O ZINC000196103214 EI Annotated Anodyne CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000196481605 EI Annotated Anodyne CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@H]1c1ccccc1 ZINC000196481709 EI Annotated Anodyne CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 ZINC000196481727 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C=C(CO)[C@H](CC[C@@H]23)C4)C1(C)C ZINC000196666366 EI Annotated Anodyne C[Si](C)(C)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000196854907 EI Annotated Anodyne C[Si](C)(C)c1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000196854921 EI Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1 ZINC000196922764 EI Annotated Mild C#C/C=C/C/C=C\C[C@H]1O[C@@H]([C@@H](Br)CC)C[C@H]1Cl ZINC000197190297 EI Annotated Reactive C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]1(C)CC(=O)c1ccoc1)[C@@]23C ZINC000197208260 EI Annotated Anodyne C[C@]12[C@@H]3C[C@]4(C)O[C@H](c5ccoc5)C[C@]4(C)[C@H]1CCC[C@H]2C(=O)O3 ZINC000197395954 EI Annotated Anodyne CCc1c(Cc2cccc(F)c2)ncn1CCc1ccccc1OC ZINC000198626907 EI Annotated Anodyne CCc1c(-c2ccccc2OC)ncn1CCc1ccccc1OC ZINC000198626953 EI Annotated Anodyne CCc1c(-c2ccc(OC)cc2)ncn1CCc1ccccc1OC ZINC000198627755 EI Annotated Anodyne O=C1CSc2c(c3nccc4c3c3c2ccn3-c2ccccc2-4)N1 ZINC000198863078 EI Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12 ZINC000199256391 EI Annotated Anodyne CC1(C)CC(=O)C=C(c2ccccc2-c2ccc3c(c2)OCO3)C1=O ZINC000199355427 EI Annotated Mild O=C(NC1CCCCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000199391255 EI Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1CNC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000199493955 EI Annotated Reactive Cc1cc2c(nc1C)CCCN2Cc1ccc(Br)cc1 ZINC000199726831 EI Annotated Anodyne C=CCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(C)cc1 ZINC000199728737 EI Annotated Mild C=CCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(C)cc1 ZINC000199728753 EI Annotated Mild COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@H]2c2ccccc2)cc1 ZINC000199730127 EI Annotated Anodyne COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@@H]2c2ccccc2)cc1 ZINC000199730142 EI Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1)N(Cc1ccccc1)C2=O ZINC000199730159 EI Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1)N(Cc1ccccc1)C2=O ZINC000199730175 EI Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C2=O ZINC000199731724 EI Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C2=O ZINC000199731747 EI Annotated Anodyne COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1-c1ccccc1 ZINC000199734942 EI Annotated Anodyne COC(=O)N1Cc2ccnnc2C[C@H]1c1ccccc1-c1ccccc1 ZINC000199734961 EI Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)ON3C ZINC000199739895 EI Annotated Anodyne Cc1cccc(-c2ccc3c(c2)[C@@H]2C[C@H]4[C@@H](CN2CC3)[C@H](C)ON4C)c1 ZINC000199739922 EI Annotated Anodyne C[C@@]1([C@@]2(C)COC(c3ccccc3)(c3ccccc3)O2)CCCCN1 ZINC000002015233 EI Annotated Anodyne in-vitro C[C@@H](NC(=O)c1cccs1)c1cc2c(cc1Cl)OCCCO2 ZINC000002127282 EI Annotated Anodyne S=c1[nH]nc(-c2ccco2)n1/N=C\c1c(Cl)cccc1Cl ZINC000002338155 EI Annotated Mild C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002456009 EI Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002456011 EI Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002456013 EI Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002456015 EI Annotated Anodyne O=C(NC1CCCCCC1)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002461382 EI Annotated Anodyne CCc1ccc(-c2cn(-c3ccc(Br)cc3)c(=O)[nH]2)cc1 ZINC000002466174 EI Annotated Anodyne Cc1ccc2nc(-c3ccncc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000002468870 EI Annotated Anodyne Cc1cccc2nc(-c3ccncc3)c(Nc3ccc4c(c3)OCO4)n12 ZINC000002468918 EI Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H](c3ccc(CC)cc3)n3ncnc3N2)cc1 ZINC000002471912 EI Annotated Anodyne CCOc1ccc([C@H]2C[C@H](c3ccc(CC)cc3)n3ncnc3N2)cc1 ZINC000002471914 EI Annotated Anodyne CCOc1ccc([C@H]2C[C@@H](c3ccc(CC)cc3)n3ncnc3N2)cc1 ZINC000002471916 EI Annotated Anodyne CCc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)Nc3nc(N)nn32)cc1 ZINC000002472208 EI Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3ccc(CC)cc3)n3nc(N)nc3N2)cc1 ZINC000002472210 EI Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccc(CC)cc3)n3nc(N)nc3N2)cc1 ZINC000002472214 EI Annotated Anodyne Cc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472367 EI Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472370 EI Annotated Anodyne Cc1ccc([C@H]2C[C@H](c3ccc(C(C)C)cc3)n3nc(N)nc3N2)cc1 ZINC000002472371 EI Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000002478301 EI Annotated Anodyne C#CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1 ZINC000002478769 EI Annotated Mild CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccoc1 ZINC000002480487 EI Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000002482274 EI Annotated Anodyne CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC ZINC000002483404 EI Annotated Anodyne COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 ZINC000002483815 EI Annotated Anodyne CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1C(=O)c1ccccc1 ZINC000002489087 EI Annotated Anodyne O=C(Nc1ccc(F)cc1)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002494662 EI Annotated Anodyne CC1=C(CCN(CCCN(C)C)CCCN(C)C)C(C)(C)CCC1 ZINC000002494731 EI Annotated Anodyne C[C@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000002498590 EI Annotated Anodyne C[C@@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000002498593 EI Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000002499514 EI Annotated Anodyne C[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(Br)s3)c2C1 ZINC000020058394 EI Annotated Mild C[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(Br)s3)c2C1 ZINC000020058396 EI Annotated Mild COc1ccc2c(c1)C=C/C(=C\c1sc3ccccc3[n+]1C)N2C ZINC000020070346 EI Annotated Clean Cc1ccc2nc(Cl)cc(SCC(=O)NCc3ccco3)c2c1 ZINC000020105216 EI Annotated Anodyne O=C(CC1=CCCCC1)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000020205420 EI Annotated Anodyne COc1ccccc1Nc1ncnc2onc(-c3ccc(F)cc3)c12 ZINC000020329518 EI Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485217 EI Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485220 EI Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485223 EI Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485226 EI Annotated Anodyne C/C(=C/CC(=O)O)CCC/C(C)=C/Cc1cc(C(=O)O)ccc1O ZINC000200120119 EI Annotated Anodyne C=C(C(=O)OC)[C@@H]1C/C=C(\C)[C@@H](O)CC/C(C)=C/CC[C@]2(C)O[C@H]2C1 ZINC000200465384 EI Annotated Mild C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(COC=O)[C@@H]3CC[C@@]2(O)C1 ZINC000200556410 EI Annotated Mild Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1N1CCCCC1 ZINC000200615155 EI Annotated Anodyne Cc1cccc(C)c1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N ZINC000200821926 EI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)nc1-c1csc2ccccc12 ZINC000200827881 EI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccc(Cl)c1 ZINC000200828132 EI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(Cl)cc1 ZINC000200830323 EI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(Cl)s1 ZINC000200833531 EI Annotated Mild Cc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)c(C)c1 ZINC000200837654 EI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cc2ccccc2o1 ZINC000200843435 EI Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccccc1Cl ZINC000200850806 EI Annotated Mild Cc1cc(C)cc(NC(=O)N2CCC(N(C)CCC(C)C)CC2)c1 ZINC000201473228 EI Annotated Anodyne Cc1cc(O)c2c(c1)Sc1c(c(=O)oc3cc(O)cc(C)c13)N2 ZINC000201557904 EI Annotated Anodyne CC(C)Oc1cc2c(C#N)cn(-c3ccc(C(=O)O)cc3)c2cc1F ZINC000202399347 EI Annotated Mild Clc1cc(Cl)cc(CN2Cc3ccccc3-n3nncc3C2)c1 ZINC000203284372 EI Annotated Anodyne COc1ccc([C@H](C#N)c2c[nH]c3ccccc23)c2[nH]cc(CC#N)c12 ZINC000203453527 EI Annotated Mild CC(=O)c1cc(-c2ccccc2-c2ccccc2)c(=O)n2c1CCC2 ZINC000203461087 EI Annotated Anodyne CC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2c1CCC2 ZINC000203461093 EI Annotated Anodyne CN1CC=C(c2ccccc2)N(c2ccc(Br)cc2)C1=O ZINC000203463460 EI Annotated Anodyne O=C(Nc1ccccc1)Nc1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000203466101 EI Annotated Anodyne O=C(Nc1ccccc1)Nc1c(-c2ccccc2)nc2ncccn12 ZINC000203466118 EI Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1c(-c2ccccc2)nc2ncccn12 ZINC000203466126 EI Annotated Anodyne C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3cccc(F)c3)C2)[C@H]2CCCCN12 ZINC000203468470 EI Annotated Anodyne C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(F)cc3)C2)[C@H]2CCCCN12 ZINC000203468482 EI Annotated Anodyne C=CCN(CC#CC1=CCCCC1)Cc1ccc(OC)cc1OC ZINC000203471321 EI Annotated Mild C=CCN(CC#Cc1ccc(C)cc1)Cc1ccc(OC)cc1OC ZINC000203471859 EI Annotated Mild CN1CCC[C@@H]1CCSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000203475512 EI Annotated Anodyne CN1CCC[C@H]1CCSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000203475517 EI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3s2)ccc1F ZINC000204408394 EI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc3sccc3c2)ccc1F ZINC000204412523 EI Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C#CCCC2CCCCC2)ccc1F ZINC000204419745 EI Annotated Mild COc1ccc(-c2noc(NCc3cccc(Cl)c3)n2)cc1OC ZINC000020556924 EI Annotated Anodyne COc1ccc(CNC(=O)C2=Cc3sc(C)c(C)c3CS2)cc1 ZINC000020557295 EI Annotated Anodyne Cc1cc(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)no1 ZINC000020557509 EI Annotated Anodyne COc1ccc(-c2csc(N)n2)cc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020598220 EI Annotated Anodyne c1cncc(CCCn2ccc(-c3cccc(-c4cncnc4)c3)n2)c1 ZINC000020919258 EI Annotated Anodyne Fc1ccc([C@@H](NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988522 EI Annotated Anodyne Fc1ccc([C@H](NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988525 EI Annotated Anodyne C=C[C@H](O)c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000205208799 EI Annotated Mild C=C[C@@H](O)c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000205208819 EI Annotated Mild Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(C(=O)O)ccc12 ZINC000205648317 EI Annotated Anodyne COC(=O)/C1=C/C/C=C(\C)CC/C=C(\C)C(=O)C[C@H](C(C)C)C(=O)C1 ZINC000205649180 EI Annotated Mild Cc1cccc(C)c1Cn1nc(C(C)C)c2ccc(CC(=O)O)cc21 ZINC000205661813 EI Annotated Anodyne Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(CC(=O)O)ccc12 ZINC000205665861 EI Annotated Anodyne C=C[C@@]1(C)[C@@H]2C(=O)C=C3[C@@]21CC[C@H](C(=C)C)[C@@]3(C)CCC(=O)OC ZINC000205700283 EI Annotated Mild O=C1CCC[C@H]2C[C@H](NCc3ccccc3Cl)CC[C@]23CCCN13 ZINC000205705633 EI Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCc3cccc(Cl)c3)CC[C@]23CCCN13 ZINC000205705680 EI Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCc3ccc(Cl)cc3)CC[C@]23CCCN13 ZINC000205705776 EI Annotated Anodyne O=C1CCC[C@H]2Cc3nc4cccc(Cl)c4cc3C[C@]23CCCN13 ZINC000205706162 EI Annotated Anodyne CCCCC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1CCC ZINC000205712331 EI Annotated Anodyne C[C@H]1[C@@H](NCC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713380 EI Annotated Anodyne C[C@H]1[C@@H](N(C)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713491 EI Annotated Anodyne C[C@H]1[C@@H](N(C)Cc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713522 EI Annotated Anodyne C[C@H]1[C@@H](N(C)CC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713546 EI Annotated Anodyne C=CCN(Cc1ccc2c(c1)OCO2)[C@H](C#CC1CC1)C(C)(C)C ZINC000205716647 EI Annotated Mild C=CCN(Cc1ccc2c(c1)OCO2)[C@@H](C#CC1CC1)C(C)(C)C ZINC000205716667 EI Annotated Mild CCC(=O)N[C@@H]1CCCc2c(-c3ccc(Cl)c(F)c3)cncc21 ZINC000205717139 EI Annotated Anodyne in-vitro CCCC/C=C1/[C@H](CC)N(C)C2=N[C@@H](c3ccccc3)CC(=O)N21 ZINC000205717601 EI Annotated Anodyne C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)C/C=C\C(C)(C)OO ZINC000205737593 EI Annotated Reactive C=CCc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](C)O2 ZINC000205840877 EI Annotated Mild O=C(c1cccc(F)c1)N1Cc2nc3ccccc3n2-c2ccccc21 ZINC000205860651 EI Annotated Anodyne CN1C(=O)[C@@H](n2ccc3ccccc32)c2cc(OC(F)(F)F)ccc21 ZINC000206028086 EI Annotated Anodyne CN1C(=O)[C@H](n2ccc3ccccc32)c2cc(OC(F)(F)F)ccc21 ZINC000206028109 EI Annotated Anodyne Cc1cc2onc([C@H]3CCCN3C(=O)N3CCCCC3)c2cc1C ZINC000206029764 EI Annotated Anodyne O=C1C[C@@H](c2cnc3c(ccc4ccccc43)c2)[C@@H](c2ccco2)N1 ZINC000206035906 EI Annotated Bother COc1ccc(N2CC(C)(C)C[C@@H]2/C=C/C(=O)OC(C)(C)C)cc1 ZINC000206036457 EI Annotated Clean COc1ccc(N2CC(C)(C)C[C@H]2/C=C/C(=O)OC(C)(C)C)cc1 ZINC000206036488 EI Annotated Clean Cc1noc(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1[N+](=O)[O-] ZINC000206038529 EI Annotated Bother Cc1onc(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1[N+](=O)[O-] ZINC000206038605 EI Annotated Bother CC(=O)c1ccccc1N[C@H](C(=O)NC(C)(C)CC(C)(C)C)C1CC1 ZINC000206051252 EI Annotated Anodyne CC(=O)c1ccccc1N[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C1CC1 ZINC000206051267 EI Annotated Anodyne CCCCNC(=O)c1nc2ccccc2nc1-c1ccc(F)c(F)c1 ZINC000206051831 EI Annotated Anodyne COc1ccccc1-c1[nH]nc2nccc(-c3ccc(C#N)cc3)c12 ZINC000206052695 EI Annotated Mild C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCc2nc3ccccc3n21 ZINC000206053090 EI Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CCc2nc3ccccc3n21 ZINC000206053116 EI Annotated Anodyne CN(c1ccc2c(-c3ccccn3)noc2n1)c1ccc(F)cc1F ZINC000206054908 EI Annotated Anodyne Fc1cccc(F)c1CNc1ccc2c(-c3cccnc3)noc2n1 ZINC000206054935 EI Annotated Anodyne CC(C)(C)NC(=O)c1csc([C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000206058157 EI Annotated Anodyne CC(C)(C)NC(=O)c1csc([C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000206058181 EI Annotated Anodyne C[C@@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccccc3nn21 ZINC000206061632 EI Annotated Anodyne C[C@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccccc3nn21 ZINC000206061653 EI Annotated Anodyne COc1ccc2c3n(nc2c1)[C@H](C)CN=C3c1ccc(Cl)cc1 ZINC000206061677 EI Annotated Anodyne COc1ccc2c3n(nc2c1)[C@@H](C)CN=C3c1ccc(Cl)cc1 ZINC000206061697 EI Annotated Anodyne COc1ccccc1-c1c2c(nc3n[nH]c(C)c13)CC(C)(C)CC2=O ZINC000206123846 EI Annotated Anodyne in-vitro CC1(C)OB(c2cn([Si](C)(C)C(C)(C)C)cc2Cl)OC1(C)C ZINC000206162662 EI Annotated Mild CC1(C)OB(c2c(C(F)(F)F)cccc2C(F)(F)F)OC1(C)C ZINC000206183987 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](CO)C3 ZINC000206589065 EI Annotated Anodyne Nc1nccc(-c2ccc3c(/C=C\c4ccccc4)cnc(N)c3c2)n1 ZINC000206815662 EI Annotated Anodyne C#CCn1c(-c2ccc(C)cc2C)cs/c1=N\C(=O)c1ccccc1 ZINC000207424899 EI Annotated Mild Cn1c(-c2ccccc2Cl)cs/c1=N\C(=O)c1ccccc1 ZINC000207453099 EI Annotated Anodyne Cn1c(-c2cccc(Cl)c2)cs/c1=N\C(=O)c1ccccc1 ZINC000207453285 EI Annotated Anodyne COC(=O)c1cc(O)c2[nH]c3ccc(O)c(CC=C(C)C)c3c2c1 ZINC000207898424 EI Annotated Anodyne C/C=C/[C@@H]1CC=CC[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 ZINC000208363944 EI Annotated Reactive CCCC(=O)c1c(O)ccc([C@@H]2C[C@H](C)Oc3cccc(O)c32)c1O ZINC000209972113 EI Annotated Anodyne CCCC(=O)c1c(O)ccc([C@H]2C[C@H](C)Oc3cccc(O)c32)c1O ZINC000209972143 EI Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@H](OC2=O)[C@@H](C(=C)C)c2cc(C)c(o2)[C@H]1O ZINC000209981316 EI Annotated Mild Cc1cccc(-c2noc(-c3cccnc3NCc3ccco3)n2)c1 ZINC000021215592 EI Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1c2cc(C(=O)O)c(O)c(O)c2[C@H](C)C[C@H]1O ZINC000210346194 EI Annotated Clean C#C/C=C/C/C=C\C[C@@H]1O[C@H]([C@@H](Br)CC)C[C@@H]1Cl ZINC000210661927 EI Annotated Reactive O=C1C(Nc2ccccc2)=C[C@H](c2cccnc2)N1c1ccccc1 ZINC000211058158 EI Annotated Anodyne O=C1C(Nc2ccccc2)=C[C@@H](c2cccnc2)N1c1ccccc1 ZINC000211058189 EI Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(Cc3ccc(OC)cc3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000211060120 EI Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)c3ccc(C)cc3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000211060680 EI Annotated Anodyne CCCN1CC[C@@H]2CC(=O)[C@@H](Cc3ccccc3)[C@@H]3CCC[C@H]1[C@@H]23 ZINC000211061210 EI Annotated Anodyne C=CCc1c(O)c2c(c(O)c1OC)[C@]1(C)CCC(C)=C(C)C1=CC2=O ZINC000211921658 EI Annotated Mild CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CCC(=O)O)[C@H]1N35 ZINC000211981940 EI Annotated Anodyne O=c1c(NCCC2=CCCCC2)nccn1-c1ccc(Cl)cc1 ZINC000021536932 EI Annotated Anodyne Fc1ccc([C@@H](NCc2ccco2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021538353 EI Annotated Anodyne Fc1ccc([C@H](NCc2ccco2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021538355 EI Annotated Anodyne CCO[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000215482234 EI Annotated Anodyne Nc1ncc(-c2ccc3[nH]nc(-c4cnc5ccccc5c4)c3c2)s1 ZINC000215992697 EI Annotated Anodyne in-vitro COc1cc2ccc3cc(OC)c(OC)c(OC)c3c2cc1OC ZINC000216209406 EI Annotated Bother CC/C=C(C)\C=C\CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 ZINC000216629361 EI Annotated Reactive CCCCN(C)c1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 ZINC000217096739 EI Annotated Anodyne O=C(NC[C@@H](CC1CC1)c1ccc(F)nc1)c1ccccc1Cl ZINC000217368294 EI Annotated Anodyne O=C(NC[C@H](CC1CC1)c1ccc(F)nc1)c1ccccc1Cl ZINC000217368382 EI Annotated Anodyne C[C@@]12CCN(C(=O)C3CCCC3)[C@H](Cc3ccc(O)c(Cl)c31)C2 ZINC000218979130 EI Annotated Anodyne CC(C)c1ccc(/C=N/N=C(\N)N/N=C/c2ccc(C(C)C)cc2)cc1 ZINC000219132563 EI Annotated Mild O=C(CCS/C=C/c1ccccc1)NCCSCc1ccco1 ZINC000219926154 EI Annotated Anodyne O=C(Nc1ccc(Cl)cc1F)c1cc(Br)ccc1O ZINC000219976961 EI Annotated Anodyne O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1Cc2ccccc2C1 ZINC000022077806 EI Annotated Anodyne O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1Cc2ccccc2C1 ZINC000022077808 EI Annotated Anodyne O=C(O)C1(Sc2ccnc3cc(Br)ccc23)CCC1 ZINC000220141478 EI Annotated Anodyne CCC(=O)N[C@@H]1CCCc2c(-c3ccc(Cl)cc3F)cncc21 ZINC000220254191 EI Annotated Anodyne CCC(=O)N[C@H]1CCCc2c(-c3ccc(Cl)cc3F)cncc21 ZINC000220254258 EI Annotated Anodyne O=C(O)C1(Sc2ccnc3ccc(C(F)(F)F)cc23)CCC1 ZINC000220384834 EI Annotated Anodyne O=C(O)C1(Sc2ccnc3ccc(Br)cc23)CCC1 ZINC000220384946 EI Annotated Anodyne Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000220989103 EI Annotated Anodyne Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000220989279 EI Annotated Anodyne C/C=C/C=C/C=C(\C=O)[C@@H](OCc1c(O)cccc1CCC)C(C)=O ZINC000221082577 EI Annotated Reactive C/C=C/C=C/C=C(\C=O)[C@H](OCc1c(O)cccc1CCC)C(C)=O ZINC000221082635 EI Annotated Reactive N#Cc1cc(Cl)cc(-c2cc(-c3ccc(Cl)cn3)ncn2)c1 ZINC000221100227 EI Annotated Mild COc1ccc2c([C@@H]3CCc4ccc(Cl)cc43)ncnc2c1OC ZINC000221105967 EI Annotated Anodyne COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)ncnc2c1OC ZINC000221106023 EI Annotated Anodyne Cc1[nH]c(-c2ccccc2NC2C3CC4CC(C3)CC2C4)cc1C(N)=O ZINC000221398221 EI Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 ZINC000221500022 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(OC(=O)OC(C)(C)C)cc1 ZINC000221851148 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@]41CO1 ZINC000222443120 EI Annotated Anodyne C[C@H](Nc1nc(Cl)cc(N2C(=O)OCC2(C)C)n1)c1ccccc1 ZINC000222595799 EI Annotated Anodyne Nc1nc(NC2CCCCC2)c2c(-c3ccc(F)cc3)c[nH]c2n1 ZINC000222800950 EI Annotated Anodyne in-vitro C#C/C=C/C[C@@H](Cl)[C@H]1CC=CC[C@H](Br)[C@@H](CC)O1 ZINC000223732872 EI Annotated Reactive Oc1cccc(-c2cnc3ccc(-c4cccc5ncccc45)nn23)c1 ZINC000223800333 EI Annotated Anodyne FC(F)(F)c1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1 ZINC000223800397 EI Annotated Anodyne Nc1cnc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cn1 ZINC000224556934 EI Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCC3)c2F)cn1 ZINC000224559612 EI Annotated Anodyne CC(C)Sc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224740880 EI Annotated Anodyne CSCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224781604 EI Annotated Anodyne CCCCCCN1C(=O)C=C(Cl)[C@]1(O)c1ccc(Cl)cc1 ZINC000224797359 EI Annotated Anodyne CCCCCCN1C(=O)C=C(Cl)[C@@]1(O)c1ccc(Cl)cc1 ZINC000224797401 EI Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3OC(F)(F)F)cc2F)cn1 ZINC000224799983 EI Annotated Anodyne Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCCC2)o1 ZINC000224868586 EI Annotated Anodyne C#Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 ZINC000224880334 EI Annotated Anodyne O=C(NCc1cccs1)c1ccccc1NC(=O)C1CCCCC1 ZINC000224883932 EI Annotated Anodyne COc1cc2c(cc1-c1c(C)nn(C)c1C)[nH]c1ccnc(Cl)c12 ZINC000224901768 EI Annotated Anodyne COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(Cl)c12 ZINC000224918719 EI Annotated Anodyne Cc1noc(-c2cccs2)c1C(=O)NCCc1cccc(Cl)c1 ZINC000022659192 EI Annotated Anodyne c1ccc2c(c1)CN(CCN1[C@H]3CC[C@@H]1c1c([nH]c4ccccc14)C3)C2 ZINC000022778554 EI Annotated Anodyne c1ccc(C[C@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000022929246 EI Annotated Anodyne CCCC[C@@H](CN[C@H](C)CNC)NCC1CCC(C(C)(C)C)CC1 ZINC000022938883 EI Annotated Anodyne c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000225180668 EI Annotated Anodyne COc1cccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1 ZINC000225184431 EI Annotated Anodyne COc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1 ZINC000225184928 EI Annotated Anodyne Clc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1 ZINC000225186119 EI Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCC(N)CC3)cc12 ZINC000226066834 EI Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCCNC3)cc12 ZINC000226076874 EI Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCCNC3)cc12 ZINC000226076886 EI Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12 ZINC000226084877 EI Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000229768612 EI Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000229768616 EI Annotated Mild Cc1nc([C@@H](C)N(C)Cc2nc(-c3cccs3)no2)c(C)s1 ZINC000023338826 EI Annotated Anodyne Cc1nc([C@H](C)N(C)Cc2nc(-c3cccs3)no2)c(C)s1 ZINC000023338828 EI Annotated Anodyne CC[C@@H](O)Cn1ccc(-c2cccc(-c3cccc(C(C)=O)c3)c2)n1 ZINC000023399324 EI Annotated Anodyne CC[C@H](O)Cn1ccc(-c2cccc(-c3cccc(C(C)=O)c3)c2)n1 ZINC000023399327 EI Annotated Anodyne Cc1ccc(CN2C[C@@H](c3nc(-c4ccccc4F)c[nH]3)CC2=O)cc1 ZINC000023478577 EI Annotated Anodyne Cc1ccc(CN2C[C@H](c3nc(-c4ccccc4F)c[nH]3)CC2=O)cc1 ZINC000023478579 EI Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000230070487 EI Annotated Mild in-man C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000230070495 EI Annotated Mild in-man C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000230070500 EI Annotated Mild in-man COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@@H]2C)ccc1O ZINC000230078234 EI Annotated Anodyne in-man C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@H](CC[C@H]12)C3 ZINC000230086895 EI Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000230086898 EI Annotated Anodyne in-man C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000230086904 EI Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000230086907 EI Annotated Anodyne in-man CCCC[C@@H](c1ccccc1)S(=O)(=O)N(C)Cc1ccccc1 ZINC000230514270 EI Annotated Anodyne CN(C)S(=O)(=O)[C@@H](CCCCc1cccs1)c1ccccc1 ZINC000230514566 EI Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCC[C@@H]1COc2ccccc21 ZINC000230515267 EI Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCC[C@H]1COc2ccccc21 ZINC000230515311 EI Annotated Anodyne Clc1ccc([C@@H](C[C@@H]2CCCCO2)Cn2cncn2)c(Cl)c1 ZINC000230558334 EI Annotated Anodyne Clc1ccc([C@H](C[C@@H]2CCCCO2)Cn2cncn2)c(Cl)c1 ZINC000230558365 EI Annotated Anodyne Clc1ccc([C@@H](C[C@H]2CCCCO2)Cn2cncn2)c(Cl)c1 ZINC000230558396 EI Annotated Anodyne Clc1ccc([C@H](C[C@H]2CCCCO2)Cn2cncn2)c(Cl)c1 ZINC000230558425 EI Annotated Anodyne Cn1ccnc1-c1nc(NCc2ccccc2Cl)cc(C2CC2)n1 ZINC000230566272 EI Annotated Anodyne Oc1cc(Cn2cc(C3CC3)nn2)ccc1Oc1ccccc1Cl ZINC000231363182 EI Annotated Anodyne in-vitro N#Cc1cc(Cl)c(F)c(-c2cc(-c3ccc(F)cn3)ncn2)c1 ZINC000231364637 EI Annotated Mild CC(C)c1c(O)c(O)c2c(c1O)C=C[C@H]1C(C)(C)CCC[C@]21C(=O)O ZINC000231503393 EI Annotated Clean C/C=C(/C)C(=O)OC1=C([C@H](C)CCC=C(C)C)C(=O)C=C(C)C1=O ZINC000238731304 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238731714 EI Annotated Anodyne CC(C)=CCC[C@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O ZINC000238731730 EI Annotated Mild COc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)cc2)c1OC ZINC000238731747 EI Annotated Anodyne CC/C(C)=C/C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238731895 EI Annotated Mild C=C[C@@](C)(O)CCC1=C(C)[C@@H](OO)C[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C ZINC000238732025 EI Annotated Reactive C[C@]12CC[C@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2 ZINC000238732036 EI Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)CC/C=C(\C)CC[C@@H]12 ZINC000238732678 EI Annotated Mild COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CCOC3=O)[C@H](C)CC[C@@]12C ZINC000238732686 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238732740 EI Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C[C@H]3C[C@@]3(C)[C@@H](O)[C@@H]2[C@@H]2[C@H](C(C)C)CC[C@@]21C ZINC000238732866 EI Annotated Anodyne C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@]3(C)[C@H]2CC1 ZINC000238733112 EI Annotated Mild C=C1[C@H](C=O)[C@@H]2CC[C@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@]13C2 ZINC000238733347 EI Annotated Mild COc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OC(C)(C)C=C4 ZINC000238733348 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238733575 EI Annotated Anodyne CC(=O)OC[C@]1(C)[C@H]2CC[C@]34C[C@@H]5[C@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@]5(C)C4 ZINC000238733636 EI Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC1=CC(=O)OC1 ZINC000238733784 EI Annotated Anodyne CCc1cc2c([nH]c3ccccc32)c2c1[C@H]1C[C@@H](C(C)=O)O[C@H]1N(C)C2 ZINC000238734012 EI Annotated Anodyne C=C(C)[C@@H]1Oc2c(OC)cc(C(C)=O)cc2[C@H]1OC(=O)CC/C=C\C ZINC000238734021 EI Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@@H]1C[C@@H]3OC(C)=O ZINC000238734156 EI Annotated Mild CC(C)(C(=O)O)[C@H]1CC[C@@]23C=C[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)C3 ZINC000238734210 EI Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4/C(=N/O)C=C5C=CCC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000238734392 EI Annotated Mild COC(=O)/C=C(/C)CC[C@@H]1[C@H](C=O)CC[C@@H]2C(C)(C)C(=O)CC[C@]21C ZINC000238734822 EI Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCO)[C@@H]2CC[C@@H]1C3 ZINC000238734910 EI Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@@]1(C)CO ZINC000238735038 EI Annotated Anodyne COc1c(C(C)C)cc(C=O)c2c1O[C@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238735228 EI Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC=C(COC(=O)CCC)[C@@H]2C1 ZINC000238735688 EI Annotated Mild CC(C)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3 ZINC000238736175 EI Annotated Mild CC(C)=CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238736230 EI Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C2 ZINC000238736345 EI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@@]21C=C3C ZINC000238736527 EI Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238736593 EI Annotated Anodyne COC(=O)C1=C(C)[C@@H]2CCc3cc(C(C)(C)O)ccc3[C@@]2(C)CC1 ZINC000238736665 EI Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CC[C@H](O)[C@@H]1C)C2 ZINC000238736791 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(oc(C)c2C)CC2=CCC[C@@](C)(O)[C@]21C ZINC000238736842 EI Annotated Anodyne COc1ccc(CCC(=O)c2ccc(O)c(CC=C(C)C)c2O)cc1 ZINC000238737390 EI Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C(C)C)[C@H]2[C@H]3[C@H](O)[C@]4(C)C[C@@H]4C[C@]3(C)CC[C@@]12C ZINC000238737710 EI Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@](C)([C@H]4COC(=O)O4)C=C3CC[C@@H]12 ZINC000238737810 EI Annotated Anodyne CC(C)=CC[C@@H](O)/C(C)=C/COc1cc(=O)oc2cccc(C)c12 ZINC000238737856 EI Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C[C@H]3C[C@@]3(C)[C@@H](O)[C@@H]2[C@H]2[C@H](C(C)C)CC[C@]12C ZINC000238737902 EI Annotated Anodyne COC(=O)CC[C@@]12[C@H]3[C@H](C(C)C)CC[C@]1(C)[C@H]1CC[C@]4(CCC[C@@H]42)N13 ZINC000238738333 EI Annotated Anodyne Cc1cc(Br)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1CC(=O)O ZINC000238738348 EI Annotated Anodyne CCCCC/C=C/C=C/[C@@H]1OC(=O)c2c(O)ccc(O)c2[C@@H]1OC ZINC000238738395 EI Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C=C[C@H]12)[C@](C)(O)C3 ZINC000238738619 EI Annotated Anodyne C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)C[C@H](O)c1ccoc1)[C@]32C ZINC000238738669 EI Annotated Anodyne C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@](C)(OO)/C=C/C1 ZINC000238738708 EI Annotated Reactive CC(C)=CCCC1=CC[C@@H](/C(C)=C/CCC2=CCOC2=O)OC1=O ZINC000238738764 EI Annotated Anodyne COC(=O)C1=CC[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C ZINC000238738807 EI Annotated Anodyne C/C=C(/C)C(=O)OC/C1=C\CC/C(C)=C/[C@H]2OC(=O)C(C)=C2CC1 ZINC000238739080 EI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=CC(=O)OC1 ZINC000238739819 EI Annotated Mild [C-]#[N+][C@@H]1[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2CC[C@]1(C)C=C ZINC000238739869 EI Annotated Reactive COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@H]2CC[C@@H]1C3 ZINC000238739924 EI Annotated Anodyne C=C(C)[C@@H]1Oc2c(OC)cc(C(C)=O)cc2[C@H]1OC(=O)/C=C(\C)CC ZINC000238740128 EI Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@H](CO)[C@H]2CCc1ccoc1 ZINC000238740635 EI Annotated Anodyne COc1ccccc1O[C@H]1O[C@@H](Oc2ccccc2OC)[C@@H](C)[C@@H]1C ZINC000238740971 EI Annotated Anodyne C#C/C=C/C/C=C\C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]1Cl ZINC000238741053 EI Annotated Reactive CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@H]1C(=O)O[C@H]2O[C@H]21 ZINC000238741054 EI Annotated Anodyne CC(C)[C@@]12C=C3CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 ZINC000238741266 EI Annotated Reactive CC/C(C)=C/C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238741430 EI Annotated Anodyne C/C=C/C(=S)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238741856 EI Annotated Anodyne CC(C)=CCC[C@@H](C)C1=C(OC(=O)CC(C)C)C(=O)C(C)=CC1=O ZINC000238742346 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C)C(C(=O)O)=C3CC[C@@H]12 ZINC000238742347 EI 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)C=O ZINC000238742382 EI Annotated Mild CC(=O)O[C@H]1C[C@H](C)[C@@]2(CCCC(=O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 ZINC000238742501 EI Annotated Anodyne COC(=O)[C@H](C)CCC[C@@H]1C(C)(C)[C@H]2C=C3C[C@@H](C)[C@H](O)[C@]31CC2 ZINC000238742502 EI Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=CC(=O)[C@H]1C(C)(C)CCC[C@@]12C ZINC000238742728 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=CC3=CC[C@@H]12 ZINC000238743110 EI Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O ZINC000238743145 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C ZINC000238743286 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@@]1(C)C=O ZINC000238743321 EI Annotated Mild CC[C@H](C)CC(=O)Oc1ccc([C@H]2O[C@@H]2COC(=O)CC(C)C)cc1 ZINC000238743487 EI Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2C[C@@](C)([C@@H]3C(=O)OC[C@@H]3CC(=O)OC)C[C@H]12 ZINC000238743636 EI Annotated Mild C=C1CC=CC(C)(C)[C@@]12C[C@H](Br)[C@](C)(Cl)C[C@@H]2O ZINC000238743877 EI Annotated Reactive C=C1C=C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C\C(=O)OC)CO ZINC000238744612 EI Annotated Mild CC(C)=CC[C@H]1C(=O)C(C(=O)C(C)C)=C(O)C2=C1OC(C)(C)C=C2 ZINC000238744787 EI Annotated Mild CC[C@H](C)CC(=O)OC[C@H]1O[C@@H]1c1ccc(OC(=O)CC(C)C)cc1 ZINC000238744943 EI Annotated Anodyne Oc1cc(O)c(Cc2ccccc2)c(/C=C/c2ccc(O)c(O)c2)c1 ZINC000238745156 EI Annotated Clean C=C1[C@H](OC(C)=O)[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238745218 EI Annotated Mild C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000238745425 EI Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@]1(O)C2 ZINC000238745512 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@@H]2C1 ZINC000238745685 EI Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@@H]3OC(C)=O ZINC000238745698 EI Annotated Mild CC(=O)O[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 ZINC000238745775 EI Annotated Reactive C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)OC1 ZINC000238745863 EI Annotated Anodyne CC(C)(/C=C/C[C@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1)OO ZINC000238745961 EI Annotated Reactive COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3 ZINC000238746207 EI Annotated Anodyne COC(=O)/C=C(/C)CC[C@@H]1[C@@H](C=O)CC[C@@H]2C(C)(C)C(=O)CC[C@]21C ZINC000238746378 EI Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(CO1)[C@H]2CCc1ccoc1 ZINC000238746609 EI Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C[C@@H]1O[C@]1(C)[C@]21CC[C@@](C)(CC(=O)O)O1 ZINC000238746838 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@@]1(C)/C=C/c1ccoc1 ZINC000238746901 EI Annotated Anodyne C/C1=C/CC/C(C=O)=C\CC[C@H](C(=O)O)[C@H]2C[C@@H](CC1)C(C)(C)O2 ZINC000238746944 EI Annotated Reactive C=C1CC[C@@H](C)[C@](C)(CCC2=CCOC2=O)C/C=C\C=C/1C(=O)OC ZINC000238746959 EI Annotated Mild C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)OC)C[C@H](O)C[C@]21C ZINC000238747056 EI Annotated Mild Cc1ccc2cc(C(C)(C)O)c(O)c3c2c1C(=O)CCC(C)(C)O3 ZINC000238747611 EI Annotated Anodyne COc1cc2c(cc1[C@H](C)OC(=O)C=C(C)C)C(=O)C(=C(C)C)O2 ZINC000238747785 EI Annotated Mild CCCCCCC[C@H](O)CCC[C@@H]1Cc2cc(O)cc(O)c2CO1 ZINC000238748309 EI Annotated Mild C#C/C=C\C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1Cl ZINC000238748339 EI Annotated Reactive CC/C=C(C)/C=C/CCC[C@@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 ZINC000238748343 EI Annotated Reactive C=C1[C@H](OC(C)=O)[C@@]23CC[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238748530 EI Annotated Mild COc1ccc(-c2cc(OC)c(CCC(C)(C)O)c(OC)c2)cc1 ZINC000238748879 EI Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238748929 EI Annotated Anodyne C/C=C(/C)C(=O)OCc1cc(OC)c(OCC=C(C)C)c(OC)c1 ZINC000238749011 EI Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@H]2CC[C@@H]1C3 ZINC000238749533 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)c3c(C)coc3C[C@@H]12 ZINC000238749607 EI 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)(C)OO ZINC000238749701 EI Annotated Reactive CC(=O)O[C@H]1[C@@H]2[C@@H]3[C@H](C(C)C)C[C@H](O)[C@]3(C)CC[C@@]2(C)C[C@H]2C[C@]21C ZINC000238750130 EI Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@H]2O[C@H]2CCC/C(C)=C/CC[C@]2(C)O[C@@H]2C1 ZINC000238750180 EI Annotated Mild CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC1=CCOC1=O ZINC000238750641 EI Annotated Anodyne C=C[C@]1(C)CC[C@@H]2[C@](O)(C1)[C@@H](O)C[C@H]1C(C)(C)CCC[C@@]12CC(C)=O ZINC000238750833 EI Annotated Mild CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 ZINC000238750909 EI Annotated Anodyne CC(C)c1cc(O)c2c(c1O)[C@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1 ZINC000238750967 EI Annotated Anodyne COC1=C2C(C)(C)C(=O)CC[C@]2(C)C2=C(O)C(=O)C(C(C)C)=CC2=C1 ZINC000238751055 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@]41CO1 ZINC000238751102 EI Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H](O)O[C@H]3O2 ZINC000238751156 EI Annotated Anodyne C/C=C(\C)C1=C(C)C(=O)C(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C ZINC000238751230 EI Annotated Mild CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]34COC(=O)C3=CCC[C@@H]42)CO1 ZINC000238751268 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C=C[C@H]12)[C@](C)(O)C3 ZINC000238751326 EI Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@]12C[C@@]43C ZINC000238751362 EI Annotated Anodyne COc1cc2c3c(ccc(-c4ccc(O)cc4)c3c1OC)C(=O)C=C2 ZINC000238751429 EI Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 ZINC000238751463 EI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=CC[C@]1(O)C3 ZINC000238751706 EI Annotated Mild COC[C@@]1(C)C(=O)CC[C@]2(C)c3cc(O)c(C(C)C)c(O)c3CC[C@@H]12 ZINC000238752051 EI Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C ZINC000238752241 EI Annotated Anodyne CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 ZINC000238752261 EI Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]2CC[C@@H]1C3 ZINC000238752264 EI Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CCc1ccoc1 ZINC000238752415 EI Annotated Anodyne COc1c2c(c3c(ccc4cnc5ccccc5c43)c1OC)OCO2 ZINC000238752462 EI Annotated Bother C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC(=O)[C@@H]1O[C@@]12C)CC(=O)O ZINC000238752507 EI Annotated Anodyne C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H]1OO ZINC000238752514 EI Annotated Reactive COC(=O)[C@@]12O[C@@H]1CC[C@H]1[C@](C)(CCc3ccoc3)[C@@H](C)CC[C@]12C ZINC000238752579 EI Annotated Anodyne Cc1coc2c1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)CC(C)C)[C@@H]1C)C2=O ZINC000238752597 EI Annotated Anodyne CC(=O)OC[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]3CC1)C2 ZINC000238752722 EI Annotated Anodyne CC(C)=CCC[C@@H](C)C1=C(OC(=O)CC(C)C)C(=O)C(C)=C(O)C1=O ZINC000238752984 EI Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@H](C(=O)O)C3 ZINC000238753020 EI Annotated Anodyne CCc1cc(O)c2c(c1)C[C@H]1c3c(cc(CC)c(O)c3-2)CC[N+]1(C)C ZINC000238753026 EI Annotated Bother C=C1CO[C@@H]2C3=CC[C@H]4[C@@H](CC[C@H]5OC(C)(C)OC[C@]45C)[C@@H]3CC[C@H]12 ZINC000238753131 EI Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@@H]3O ZINC000238753133 EI Annotated Mild CC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CCOC1=O ZINC000238753148 EI Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238753268 EI Annotated Anodyne CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)O)OO1 ZINC000238753537 EI Annotated Reactive C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000238753640 EI Annotated Anodyne C=C[C@](C)(O)/C=C/[C@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]12C ZINC000238753857 EI Annotated Mild COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C=O)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000238754003 EI Annotated Reactive C=C1[C@@H](OC(=O)/C(C)=C\C)CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)C[C@@H]12 ZINC000238754097 EI Annotated Mild CC(C)=CCC[C@@H](C)[C@@H]1CCC[C@]2(C)CC=C(C=O)[C@@]1(C=O)[C@H]2O ZINC000238754171 EI Annotated Reactive Cl[C@H]1[C@H](Cl)[C@@H](Cl)C(Cl)(Cl)[C@H](Cl)[C@@H]1Cl ZINC000238754349 EI Annotated Reactive CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)C[C@H](O)[C@]12C(=O)O ZINC000238754441 EI Annotated Anodyne CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@@H]1CC[C@@H](C)CC(=O)O)[C@H]23 ZINC000238754513 EI Annotated Anodyne C=C1[C@@H](OC(=O)/C(C)=C/C)CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OC)C[C@@H]12 ZINC000238754525 EI Annotated Mild COC(=O)C1=C[C@H](O)C[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 ZINC000238754615 EI Annotated Anodyne CC1=CC(=O)c2c(/C=N\CCC(C)C)c(O)c(O)c(C(C)C)c2C1=O ZINC000238754840 EI Annotated Mild C/C1=C\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC[C@](C)(OO)/C=C/C1 ZINC000238754983 EI Annotated Reactive C/C1=C\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC[C@@](C)(OO)/C=C/C1 ZINC000238755023 EI Annotated Reactive C=C1[C@@H](OC(=O)C(C)C)CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OC)C[C@@H]12 ZINC000238755056 EI Annotated Mild C=C1C(=O)O[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000238755603 EI Annotated Mild C=C1[C@@H](C(=O)OC)CC[C@]2(C)c3ccc(C(C)C)c(O)c3CC[C@@H]12 ZINC000238755622 EI Annotated Mild C[C@H]1CC=C2[C@@H](CCC[C@@]2(C)C(=O)O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238755624 EI Annotated Anodyne CC1=CC[C@H]2[C@](C)(C(=O)O)C[C@H](O)C[C@]2(C)[C@H]1CCc1ccoc1 ZINC000238755772 EI Annotated Anodyne CO[C@@H]1C[C@@](C)(O)[C@@H](CC[C@H](C)CCO)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238755904 EI Annotated Anodyne CC(C)C1=C(O)C2=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2C[C@H]1O ZINC000238755935 EI Annotated Anodyne CC1(C)C=Cc2c(cc3c(c2O)C(=O)C=C(c2ccc(O)cc2)C3)O1 ZINC000238755944 EI Annotated Mild C=C(C)[C@H]1C[C@@H](O)/C(C)=C/CCC(=C)[C@@H](OO)CC[C@@]2(C)O[C@@H]2C1 ZINC000238755965 EI Annotated Reactive CC[C@H]1OC(=O)CCCCCCC/C=C\[C@H]2[C@H](O)[C@@H](Cl)C[C@H]12 ZINC000238756194 EI Annotated Reactive C[C@H]1[C@H]2CC[C@H]3[C@@H]4/C(=N\O)C=C5C=CCC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000238756321 EI Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000238756328 EI Annotated Mild C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CCC1=CC(=O)OC1 ZINC000238756527 EI Annotated Anodyne CC[C@H]1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C(OC)[C@]4(C)[C@H]3CC[C@@]21C ZINC000238756575 EI Annotated Mild C=C[C@]1(C)C=C2[C@@H](CC1)[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@H]2O ZINC000238756753 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@H](C)C(=O)c3occ(C)c3[C@@H]2C=C1C ZINC000238757170 EI Annotated Anodyne C=C(C)[C@@H](CC/C(C)=C/COc1ccc(/C=C/CO)cc1OC)OO ZINC000238757300 EI Annotated Reactive COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@]1(CO1)C3 ZINC000238757858 EI Annotated Anodyne C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)CC[C@H](OO)C(=C)C ZINC000238757982 EI Annotated Reactive C/C=C(\C)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238757996 EI Annotated Anodyne C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H]1OO ZINC000238758120 EI Annotated Reactive C=C1[C@@H](OC(=O)/C(C)=C\C)CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OC)C[C@@H]12 ZINC000238758348 EI Annotated Mild COC(=O)C1=CC=C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(O)C1 ZINC000238758369 EI Annotated Anodyne CC(C)=CCC/C(C=O)=C/COc1cc(=O)oc2cccc(C)c12 ZINC000238758568 EI Annotated Reactive CC(C)=CC/C=C(/C)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3 ZINC000238758873 EI Annotated Mild C[C@@]1(CC(=O)O)CC[C@@H]2[C@](C)(CC[C@@H]3[C@@](C)(CO)CCC[C@]32C)O1 ZINC000238759514 EI Annotated Anodyne COc1c2c(cc3c1C(CCC(=O)O)=CC(C)(C)O3)OC(C)(C)C=C2 ZINC000238759573 EI Annotated Anodyne C=C(C)[C@@H]1Cc2cc(C(=O)CC(=O)/C=C\c3ccc(O)cc3)ccc2O1 ZINC000238760022 EI Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)c3c(C)coc3C[C@@H]12 ZINC000238760033 EI Annotated Anodyne C=C(C)[C@@H]1Cc2cc(C(=O)CC(=O)/C=C/c3ccc(O)cc3)ccc2O1 ZINC000238760035 EI Annotated Mild CCC(=O)[C@H]1O[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238760073 EI Annotated Anodyne COc1c(C)c(/C=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)oc(=O)c1C ZINC000238760165 EI Annotated Bother CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@H](C)[C@]21C ZINC000238760441 EI Annotated Anodyne C=C(C)[C@H]1C[C@@]23[C@H](O[C@@H]2[C@](C)(Cl)C=C(Br)C3(C)C)O1 ZINC000238760519 EI Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238760566 EI Annotated Anodyne C=CCCCCCCCCCC[C@@H](O)C[C@@H](O)CCOC(C)=O ZINC000238760698 EI Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(=O)CC(C)C)C/C=C(\C)CC[C@@H]12 ZINC000238760844 EI Annotated Mild CC1(C)O[C@@](C)(/C=C/Cl)[C@H](Br)C[C@H]1Br ZINC000238760899 EI Annotated Reactive CO[C@@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C(CC[C@H](C)CCO)=C1C ZINC000238760997 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C[C@@H]12)OC(=O)[C@H]3C ZINC000238761038 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C[C@@H]12)OC(=O)[C@@H]3C ZINC000238761049 EI Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(C=O)CC[C@@H](C)[C@]2(C)CCc1ccoc1 ZINC000238761067 EI Annotated Mild CC/C=C(C)/C=C/CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)O)OO1 ZINC000238761090 EI Annotated Reactive C=C(C)[C@H]1CCC(C)=C/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238761233 EI Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]23C(=O)O[C@@H](c2ccoc2)C[C@@H]13 ZINC000238761773 EI Annotated Mild CC(=O)O[C@H]1[C@@H]2[C@H]3[C@H](C(C)C)C[C@H](O)[C@]3(C)CC[C@@]2(C)C[C@H]2C[C@]21C ZINC000238761919 EI Annotated Anodyne CCc1cc2c(c(OC)c1OC)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O ZINC000238762092 EI Annotated Anodyne C=C[C@@]1(C)CC[C@H]([C@@]2(C)O[C@H]2/C=C/[C@@](C)(CO)OC)C[C@@H]1C(=C)C ZINC000238762158 EI Annotated Mild COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=CC(=O)[C@@H]1C(C)(C)CCC[C@@]12C ZINC000238762181 EI Annotated Mild CO[C@H]1OC2=CC3=CCC[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)C2=C1C ZINC000238762272 EI Annotated Anodyne C=C1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]2(C)C[C@H](c3ccoc3)OC=C12 ZINC000238762395 EI Annotated Mild CC1=CC(=O)O[C@H]1C[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]21 ZINC000238762556 EI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCC1=CC(=O)OC1 ZINC000238762581 EI Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O ZINC000238762760 EI Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C ZINC000238763134 EI Annotated Anodyne CO[C@@H](C)CCCCCCCCCc1cc(O)cc(O)c1C(=O)O ZINC000238763259 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238763386 EI Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238763587 EI Annotated Anodyne C=C1[C@@H](OC(=O)/C(C)=C/C)CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)O)C[C@@H]12 ZINC000238763761 EI Annotated Mild C[C@H]1CC=C2[C@@H](CCC[C@@]2(C)C(=O)O)[C@]1(C)CCC1=CCOC1=O ZINC000238764244 EI Annotated Anodyne CO[C@]1(C)/C=C/[C@](O)(C(C)C)CCC2=C[C@H](C/C(C)=C/CC1)OC2=O ZINC000238764774 EI Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C)O[C@](C)(CC(=O)O)CC[C@H]3[C@]2(C)CC[C@H]1O ZINC000238765262 EI Annotated Anodyne CC/C=C(C)\C=C\CCC[C@@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 ZINC000238765901 EI Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238766004 EI Annotated Anodyne C/C(=C/C(=O)O)CC/C=C(/C)CC/C=C(/C=O)CC/C=C(\C)C(=O)O ZINC000238766323 EI Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238766498 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CCC[C@H](C(=O)O)[C@@]12C ZINC000238766531 EI Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H](C(=C)C(=O)O)C[C@H]1C(=C)C ZINC000238766662 EI Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C\CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000238766683 EI Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C[C@H](CC/C=C(\C)CC[C@H]12)CC(=O)O3 ZINC000238766762 EI Annotated Mild C/C=C1\[C@@H]2C[C@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@H]1OC)CCN3C ZINC000238767384 EI Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@H]1C[C@@H](C=O)C[C@H](O)OO1 ZINC000238767385 EI Annotated Reactive C[C@H]1[C@@H]2O[C@H](c3ccoc3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C ZINC000238767513 EI Annotated Anodyne CC(C)=C[C@H]1C/C(=C/COc2cc(=O)oc3cccc(C)c23)CO1 ZINC000238767541 EI Annotated Anodyne CS/C=C\C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@@H]1C ZINC000238767917 EI Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@@]23CC/C(=C/C=O)O3)C1(C)C ZINC000238768034 EI Annotated Reactive CC(=O)OC[C@]1(C)CC[C@H](O)[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 ZINC000238768186 EI Annotated Anodyne CC1=CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 ZINC000238768297 EI Annotated Anodyne C#C/C=C\C[C@@H]1O[C@@H](CC)[C@H](Br)C/C=C\C[C@H]1Cl ZINC000238768438 EI Annotated Reactive C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C[C@@H](OC(=O)C=C(C)C)CC(=C)[C@@H]2C1 ZINC000238768473 EI Annotated Mild C=C1[C@@H](OC(=O)C=C(C)C)CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)C[C@@H]12 ZINC000238768585 EI Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1 ZINC000238768757 EI Annotated Mild C[C@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O ZINC000238769001 EI Annotated Anodyne C[C@@H]1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238769029 EI Annotated Anodyne C=C(C)C(=O)O[C@H]1CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC)[C@]2(C)[C@H]1C ZINC000238769141 EI Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1C[C@H]1O[C@@]1(C)[C@]21CC[C@@](C)(CC(=O)O)O1 ZINC000238769277 EI Annotated Anodyne CO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]34COC(=O)C3=CCC[C@@H]42)CO1 ZINC000238769351 EI Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H](CCc3ccoc3)[C@@]3(CC[C@H]12)CO3 ZINC000238769429 EI Annotated Anodyne C/C=C1/[C@@H](OC)O[C@@H]2C[C@H]1C[C@H]1c3c(c4ccccc4n32)CCN1C ZINC000238769473 EI Annotated Anodyne CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(O)cc4O)coc23)O1 ZINC000238769772 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238769820 EI Annotated Anodyne COc1ccc([C@@H]2c3c(ccc4c3OCO4)C[C@@H](C)[C@@H]2C)cc1OC ZINC000238770049 EI Annotated Anodyne COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)(C)O)CC1 ZINC000238770094 EI Annotated Anodyne C/C(=C/CO)CC/C=C(\C)CC/C=C(/CC/C=C(\C)CO)C(=O)O ZINC000238770160 EI Annotated Anodyne CC1=C2CC[C@](C)(OO)/C=C/C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]2OC1=O ZINC000238770255 EI Annotated Reactive C=C1CCC2=C(C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]2O[C@]2(C)CC[C@@H]1OO ZINC000238770271 EI Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 ZINC000238770439 EI Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238770544 EI Annotated Mild C=C1CCC(=O)[C@H](C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)CC[C@@H](C)OC(C)=O ZINC000238770603 EI Annotated Mild CCCC#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(C)=O ZINC000238771042 EI Annotated Mild COc1cc(Br)c(O)cc1C/C=C(\C)CCC(C)(C)O ZINC000238771468 EI Annotated Anodyne COc1ccc(C2=C(C)[C@H](C)Cc3cc4c(cc32)OCO4)cc1OC ZINC000238771655 EI Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@]1(CCc1ccoc1)C(=O)O ZINC000238771709 EI Annotated Anodyne CCC1=C(C)C(=O)[C@H](C)[C@H]([C@H](C)[C@H]2OC(CC)=C(C)C(=O)[C@@H]2C)O1 ZINC000238771811 EI Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@@H]1C[C@@H]3O ZINC000238772209 EI Annotated Mild CC[C@@H](C)C(=O)O[C@H]1CC2=C(C)CC[C@@H](C(C)C)[C@@H]2C=C1C(=O)OC ZINC000238772542 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C ZINC000238772568 EI Annotated Anodyne CC(C)=CCc1cc(C(=O)/C=C(\O)c2ccc(O)cc2)c(O)cc1O ZINC000238772654 EI Annotated Mild C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@@H]1CC[C@@]34C ZINC000238772675 EI Annotated Anodyne C=CCC/C=C/C=C/C#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O ZINC000238772785 EI Annotated Mild C=CCC/C=C/C=C/C#CCCCCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1O ZINC000238772793 EI Annotated Mild CCC(=O)O[C@H](C)c1cccc2oc(OC)c(CC=C(C)C)c(=O)c12 ZINC000238772815 EI Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C ZINC000238772878 EI Annotated Anodyne C=C(C)[C@H]1CCC(=C)[C@@H](Cc2occc2CO)[C@]1(C)CCC(=O)O ZINC000238773004 EI Annotated Mild CC1=CC[C@@]23C[C@@H]1[C@](C)(CCC[C@@H](C)C(=O)O)[C@@H]2CC[C@@H]3C(=O)O ZINC000238773005 EI Annotated Anodyne CCCC#CC#C/C=C/[C@H](CCCCCCCC(=O)OC)OC(C)=O ZINC000238773817 EI Annotated Mild CO[C@]1(C)CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@H]1O ZINC000238774580 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 ZINC000238774642 EI Annotated Anodyne CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 ZINC000238774802 EI Annotated Anodyne CO/C1=C\C(=O)CCc2ccc(O)c(c2)-c2cc(ccc2OC)CC1 ZINC000238775114 EI Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@@H]1[C@]23C ZINC000238775269 EI Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C=C[C@@](C)(CC[C@H]3[C@]2(C)CC[C@H]1O)C4 ZINC000238775537 EI Annotated Anodyne CC1=CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)C2=CC(=O)C(C)(C)OO2)C1 ZINC000238775897 EI Annotated Reactive CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(CO)C4)C1(C)C ZINC000238775976 EI Annotated Anodyne C[C@H]1CC[C@]23CO[C@H](C=C2C(=O)O)C[C@H]3[C@]1(C)CCc1ccoc1 ZINC000238776080 EI Annotated Anodyne C=C[C@@](C)(CO)[C@@]1(C)CCN2CCc3c([nH]c4ccccc34)[C@@]2(C)C1 ZINC000238776843 EI Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=COCC1=O ZINC000238776894 EI Annotated Mild CC(C)=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO ZINC000238777065 EI Annotated Anodyne CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H]1[C@H]23 ZINC000238777271 EI Annotated Anodyne Cc1cc2c(c3c1-c1ccc4cc5c(cc4c1NC3)OCO5)OCO2 ZINC000238777326 EI Annotated Anodyne CC(=O)OCC1=C[C@H]2CC[C@@H]3[C@@](C)(CO)CCC[C@@]3(C)[C@]23CC[C@H]1C3 ZINC000238777478 EI Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC=C(COC(=O)/C(C)=C/C)[C@@H]2C1 ZINC000238777508 EI Annotated Mild C[C@@H]1[C@@H]2O[C@H](c3ccoc3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C ZINC000238777584 EI Annotated Anodyne C=C1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@H]3O ZINC000238777663 EI Annotated Mild CC(C)=C1C[C@]2(C)[C@@H](C)C[C@@H](OC(=O)/C=C\CS)C[C@@H]2CC1=O ZINC000238777864 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H](C)c1cc2c(cc1OC)OC(=C(C)C)C2=O ZINC000238777916 EI Annotated Mild CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O ZINC000238778403 EI Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@@H](O)[C@@]4(C)COC(C)=O)[C@@H]2CC[C@@H]1C3 ZINC000238778412 EI Annotated Mild C#C/C=C\C#CC#CCCCC/C(Br)=C\CCCC(=O)O ZINC000238778665 EI Annotated Mild COc1c(C(C)C)cc(C=O)c2c1O[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238778747 EI Annotated Anodyne C=C1[C@@H](OC(=O)C=C(C)C)CC[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OC)C[C@@H]12 ZINC000238778891 EI Annotated Mild C=CC(=C)[C@H](O)C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]12C ZINC000238779008 EI Annotated Mild COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@@H]1OC(=O)C(C)C ZINC000238779057 EI Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(COC(C)=O)[C@@H]1C[C@H]3O ZINC000238779377 EI Annotated Mild CC/C(C)=C\C=C\[C@@H]1C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000238779707 EI Annotated Anodyne CC(C)[C@@]12C=C3CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2 ZINC000238780147 EI Annotated Reactive C[C@@H]1OC(=O)C2=C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]21 ZINC000238780230 EI Annotated Anodyne CO[C@@H]1C[C@@](C)(O)[C@H](CC[C@H](C)CCO)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238780246 EI Annotated Anodyne CC(=O)O[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 ZINC000238780411 EI Annotated Reactive COC(=O)[C@@]1(O)C=CC[C@H]2[C@](C)(CCc3ccoc3)[C@H](C)CC[C@]21C ZINC000238780441 EI Annotated Anodyne C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O ZINC000238780727 EI Annotated Mild C#C/C=C\C[C@H]1OO[C@@H]([C@@H](Br)CC)C/C=C\C[C@H]1Cl ZINC000238780737 EI Annotated Reactive C=C[C@@H](COC(C)=O)C[C@@H]1C(=C)CC[C@@H](Br)C1(C)C ZINC000238780862 EI Annotated Reactive CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@]13C=C(C)[C@H](CC[C@H]12)C3 ZINC000238781020 EI Annotated Anodyne CC(=O)O[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 ZINC000238781062 EI Annotated Reactive CC(=O)O[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 ZINC000238781067 EI Annotated Reactive C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCO)[C@H]2CC[C@@H]1C3 ZINC000238781189 EI Annotated Mild CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238781317 EI Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(OC(C)=O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238781423 EI Annotated Mild C=CCN1CCC[C@@H]2[C@@H]3CC[C@H]([C@@H]21)[C@@H]1c2[nH]c4ccccc4c2CCN31 ZINC000238781438 EI Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)/C=C/C(C)(C)OO ZINC000238781519 EI Annotated Reactive C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3OC(C)=O ZINC000238781779 EI Annotated Mild C[C@H]1OC(=O)c2c3c(c(O)c(O)c21)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 ZINC000238781854 EI Annotated Clean COC(=O)C1=C[C@H](O)C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C ZINC000238782162 EI Annotated Anodyne COc1c(O)cccc1[C@@H]1O[C@H](c2cccc3c2OCO3)[C@@H](C)[C@@H]1C ZINC000238782267 EI Annotated Anodyne COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)O[C@@H]2OC ZINC000238782654 EI Annotated Anodyne COSCCCCCCNC(=O)NCCCCCCSC ZINC000238782790 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C=O)CC(=O)c1ccoc1 ZINC000238782839 EI Annotated Mild CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)c(O)c1O ZINC000238782885 EI Annotated Mild Cc1ccc(C(C)C)c(OC(=O)[C@@]2(COCc3ccccc3)CO2)c1 ZINC000238782896 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@]1(C)C=O ZINC000238783082 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@]21C ZINC000238783109 EI Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]32C)C1 ZINC000238783153 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@@H]12 ZINC000238783381 EI Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC/C(C(=O)OC)=C/C[C@H]12 ZINC000238783424 EI Annotated Mild C[C@H]1CCC2=C(CCC[C@]2(C)C(=O)O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238783478 EI Annotated Anodyne COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(O)C1 ZINC000238783654 EI Annotated Anodyne COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@@H]1OC(=O)CC(C)C ZINC000238783756 EI Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 ZINC000238783765 EI Annotated Anodyne C/C(=C\COc1cc(O)cc2oc(=O)ccc12)C/C=C\C(C)(C)OO ZINC000238783807 EI Annotated Reactive C/C(=C/COc1cc(O)cc2oc(=O)ccc12)C/C=C\C(C)(C)OO ZINC000238783810 EI Annotated Reactive C/C(=C\COc1cc(O)cc2oc(=O)ccc12)C/C=C/C(C)(C)OO ZINC000238783814 EI Annotated Reactive C/C(=C/COc1cc(O)cc2oc(=O)ccc12)C/C=C/C(C)(C)OO ZINC000238783817 EI Annotated Reactive C=C(C)[C@H]1CCC(=C)[C@@H](C[C@H]2OC(=O)C=C2C)[C@]1(C)CCC(=O)O ZINC000238783946 EI Annotated Mild C#C/C=C\C[C@H]1O[C@@H]([C@H](Br)CC)C/C=C/C[C@H]1Cl ZINC000238784042 EI Annotated Reactive C=C(C)[C@H]1CCC(=C)[C@@H](CCC2=CCOC2=O)[C@]1(C)CCC(=O)O ZINC000238784611 EI Annotated Mild CC(C)=CC[C@H]1O[C@@]1(C)[C@H]1CC[C@](C)(NC=O)[C@H]2CCC(C)=C[C@@H]21 ZINC000238784624 EI Annotated Anodyne C=C(C)[C@@H]1CCC(=C)[C@H](C2=C(O)[C@H](C)CC2=O)[C@H]1/C=C(/C)C(=O)OC ZINC000238784684 EI Annotated Mild C=C/C=C\C(=C)c1ccc2c(OC)c(O)cc3c2c1C(=O)C(OC)=C3 ZINC000238784826 EI Annotated Mild C=C/C=C/C(=C)c1ccc2c(OC)c(O)cc3c2c1C(=O)C(OC)=C3 ZINC000238784830 EI Annotated Mild CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2=O ZINC000238785104 EI Annotated Anodyne C=C1CC/C=C(\C)CC[C@H]2C[C@]2(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]1O ZINC000238785186 EI Annotated Mild C=C1CC/C=C(/C)CC[C@H]2C[C@]2(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]1O ZINC000238785189 EI Annotated Mild CC(C)=CCC/C(=C/CC/C(=C\CC/C(C)=C/CO)C(=O)O)CO ZINC000238785346 EI Annotated Anodyne CC1=CC(=O)c2c3c(c4c(c2C1=O)C=CC(C)(C)O4)C=CC(C)(C)O3 ZINC000238785436 EI Annotated Mild C/C=C\C(=S)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238785686 EI Annotated Anodyne C=C(C)[C@@H]1CC=C([C@@H]2CC[C@@](C)(NC=O)[C@H]3CCC(C)=C[C@H]32)CO1 ZINC000238786343 EI Annotated Mild C[C@@H]1CCC2=C(CCC[C@]2(C)C(=O)O)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238786494 EI Annotated Anodyne COC(=O)/C1=C/C=C(\C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 ZINC000238786634 EI Annotated Anodyne COC(=O)/C1=C/C=C(/C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 ZINC000238786635 EI Annotated Anodyne COC(=O)/C1=C\C=C(/C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 ZINC000238786637 EI Annotated Anodyne COC(=O)/C1=C\C=C(\C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 ZINC000238786638 EI Annotated Anodyne C=C(C)[C@H](CC/C(C)=C\COc1cc(O)cc2oc(=O)ccc12)OO ZINC000238786781 EI Annotated Reactive C=C(C)[C@H](CC/C(C)=C/COc1cc(O)cc2oc(=O)ccc12)OO ZINC000238786783 EI Annotated Reactive C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(NC)C1=O ZINC000238787157 EI Annotated Mild CC(C)c1cc2c(cc1O)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000238787247 EI Annotated Anodyne C/C=C1\[C@@H](OC)O[C@@H]2C[C@H]1C[C@H]1c3c(c4ccccc4n32)CCN1C ZINC000238787660 EI Annotated Anodyne C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C\C=C/C(=O)O ZINC000238787740 EI Annotated Anodyne C/C=C(/C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C\C=C/C(=O)O ZINC000238787742 EI Annotated Anodyne C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C\C(=O)O ZINC000238787743 EI Annotated Anodyne C/C=C(/C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C\C(=O)O ZINC000238787744 EI Annotated Anodyne CC1=C2CC[C@](C)(OO)/C=C\C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]2OC1=O ZINC000238788016 EI Annotated Reactive CC1=C2CC[C@](C)(OO)/C=C\C[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]2OC1=O ZINC000238788018 EI Annotated Reactive CC1=C2CC[C@](C)(OO)/C=C/C[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]2OC1=O ZINC000238788020 EI Annotated Reactive CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2[C@]1(C)CC[C@H](C(C)(C)NC=O)O1 ZINC000238788023 EI Annotated Anodyne COC(=O)[C@@]1(C)CCCC2=C1CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 ZINC000238788144 EI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@H](C)C[C@H]1[C@H]3O ZINC000238788482 EI Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NC)=CC1=O ZINC000238788869 EI Annotated Mild C/C=C1/[C@@H]2C[C@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@H]1OC)CCN3C ZINC000238789380 EI Annotated Anodyne C=C1CCC2=C(C)C(=O)O[C@@H]2/C=C(/C)CC[C@H]2O[C@]2(C)CC[C@@H]1OO ZINC000238789526 EI Annotated Reactive C=C(C)[C@@H]1CC=C([C@H]2CC[C@](C)(NC=O)[C@H]3CCC(C)=C[C@H]23)CO1 ZINC000238789643 EI Annotated Mild CCc1noc(C)c1C(=O)N(CC)c1nc2c(C)cccc2s1 ZINC000024635463 EI Annotated Anodyne Cc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F ZINC000024974654 EI Annotated Anodyne in-vivo C[C@@H]1CCc2c(C(=O)NCCCN3[C@H](C)CCC[C@H]3C)csc2C1 ZINC000245276324 EI Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1)C1CCCCC1 ZINC000002500202 EI Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@H](Cl)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000002567585 EI Annotated Unstable Cc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000002638628 EI Annotated Anodyne CCCCOC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000002874925 EI Annotated Anodyne CC[C@@H]1Sc2ccccc2N(C/C(O)=N/Cc2cccs2)C1=O ZINC000002953500 EI Annotated Anodyne CC[C@H]1Sc2ccccc2N(C/C(O)=N/Cc2cccs2)C1=O ZINC000002953501 EI Annotated Anodyne CC(C)CCn1c(SCC#N)nc2c(sc3ccccc32)c1=O ZINC000002961993 EI Annotated Mild CCc1cc(/C(Cc2ccccn2)=N\Nc2ccccc2)c(O)cc1O ZINC000025195487 EI Annotated Mild CSc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250956326 EI Annotated Anodyne Cc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21 ZINC000251191091 EI Annotated Anodyne CC1(C)Cc2c(sc3nc(=S)n(Cc4ccco4)c(O)c23)CO1 ZINC000253498408 EI Annotated Anodyne Nc1nn2c(O)cc(-c3ccccc3)nc2c1N=Nc1ccccc1 ZINC000253531816 EI Annotated Clean Cc1ccc(N=Nc2c(N)nn3c(O)cc(-c4ccccc4)nc23)cc1 ZINC000253531916 EI Annotated Clean CC(C)CCCC[C@@H]1C[C@H](/C=C/[C@@]2(C)CC[C@H](O)CC2)[C@@H](O)[C@H]1O ZINC000253633221 EI Annotated Anodyne CC1([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 ZINC000253633377 EI Annotated Reactive CC1([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)CCCC1 ZINC000253633379 EI Annotated Reactive CC1([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)CCCC1 ZINC000253633380 EI Annotated Reactive CC1([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)CCCC1 ZINC000253633382 EI Annotated Reactive Fc1ccc([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)cc1 ZINC000253633667 EI Annotated Reactive Fc1ccc([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@]3(c3ccccc3)OO2)cc1 ZINC000253633668 EI Annotated Reactive Fc1ccc([C@@H]2OO[C@@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 ZINC000253633669 EI Annotated Reactive Fc1ccc([C@@H]2OO[C@H]3[C@H]4CC[C@@H](C4)[C@@]3(c3ccccc3)OO2)cc1 ZINC000253633670 EI Annotated Reactive CC(C)(C)c1cc(-c2cn3c(n2)[S@@](=O)C=C3)cc(C(C)(C)C)c1O ZINC000253636466 EI Annotated Anodyne CC(C)(C)c1cc(-c2cn3c(n2)[S@](=O)C=C3)cc(C(C)(C)C)c1O ZINC000253636469 EI Annotated Anodyne CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O ZINC000253637553 EI Annotated Anodyne COc1cc2nc(=S)n(CC(C)(C)C)c(O)c2cc1-c1cnco1 ZINC000253638606 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24O3 ZINC000253640248 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000253640252 EI Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000253640255 EI Annotated Anodyne CCCCN1CCN(CC)[C@H]2CCn3c(c(C)c4ccccc43)[C@H]21 ZINC000253641115 EI Annotated Anodyne CCCN1CCN(CCC)[C@H]2c3c(C)c4ccccc4n3CC[C@H]21 ZINC000253641643 EI Annotated Anodyne CON=C(c1ccc(Cl)cc1)C1(c2ccccc2C(=O)O)CC1 ZINC000253650667 EI Annotated Mild CCCC[C@@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@H]1N ZINC000253656037 EI Annotated Anodyne Cc1c(O)nc(N2CCC[C@H](C)C2)nc1[C@H](C)c1c(F)cccc1F ZINC000253658918 EI Annotated Anodyne Cc1c(O)nc(N2CCC[C@@H](C)C2)nc1[C@H](C)c1c(F)cccc1F ZINC000253658921 EI Annotated Anodyne O/N=C1\C[C@H](c2ccco2)N[C@@H](c2ccco2)[C@H]1Cc1ccccc1 ZINC000253659150 EI Annotated Mild O/N=C1\C[C@H](c2ccco2)N[C@H](c2ccco2)[C@H]1Cc1ccccc1 ZINC000253659154 EI Annotated Mild CCOC(=O)c1c(O)nc(C)c(CC)c1O[C@@H]1[C@@H](C)CCC[C@H]1C ZINC000253671334 EI Annotated Anodyne CN1CC[C@]2(N(C)C)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 ZINC000253673141 EI Annotated Anodyne Fc1ccc(C=NN=c2cc[nH]c3ccc(C(F)(F)F)cc23)cc1 ZINC000253677938 EI Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)cc(=NN=Cc3cccnc3)c2c1 ZINC000253679920 EI Annotated Mild COc1ccc2ccccc2c1C=NN=c1cc[nH]c2ccc(F)cc12 ZINC000253681880 EI Annotated Mild O=C1C(O)=CC(=Nc2ccc(Cc3ccncc3)cc2)c2ccccc21 ZINC000253683789 EI Annotated Mild O=[N+]([O-])c1cccc(-c2ccc(C=NNc3nc4ccccc4[nH]3)o2)c1 ZINC000253685064 EI Annotated Mild c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@H]2[C@H]2CC[C@H]3C2)cc1 ZINC000253690072 EI Annotated Reactive c1ccc([C@]23OO[C@H](C4CCCCC4)OO[C@@H]2[C@H]2CC[C@H]3C2)cc1 ZINC000253690078 EI Annotated Reactive c1ccc([C@]23OO[C@@H](C4CCCCC4)OO[C@@H]2[C@H]2CC[C@H]3C2)cc1 ZINC000253690082 EI Annotated Reactive CN(C)[C@]12C/C(=N\O)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000253695202 EI Annotated Mild CCCCOC(=O)O[C@@H]1CC[C@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C ZINC000253696907 EI Annotated Reactive CCCCOC(=O)O[C@H]1CC[C@@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C ZINC000253696915 EI Annotated Reactive CCCCOC(=O)O[C@@H]1CC[C@@]2(C)C[C@H]3CC[C@@]2(OO3)C1(C)C ZINC000253696924 EI Annotated Reactive C[C@H]1CC[C@@H](C)N1CCCC[C@](O)(c1ccccc1)c1ccccn1 ZINC000253699274 EI Annotated Anodyne C[C@@H]1CC[C@@H](C)N1CCCC[C@](O)(c1ccccc1)c1ccccn1 ZINC000253699278 EI Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253701830 EI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C=C[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253701837 EI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253701844 EI Annotated Mild C[C@@H]1[C@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C ZINC000253731832 EI Annotated Anodyne C[C@H]1[C@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C ZINC000253731839 EI Annotated Anodyne CCOC(=O)c1c(O)nc(C)c(CC)c1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000253761508 EI Annotated Anodyne CCOC(=O)c1c(O)nc(C)c(CC)c1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC000253761519 EI Annotated Anodyne CCCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4ccccc43)[C@H]21 ZINC000253793176 EI Annotated Anodyne O=[S@]1c2ccccc2-c2cc(N(CCCl)CCCl)ccc21 ZINC000253794673 EI Annotated Reactive O=[S@@]1c2ccccc2-c2cc(N(CCCl)CCCl)ccc21 ZINC000253794683 EI Annotated Reactive CCN(CC)CCCCN1c2ccccc2O[C@@H]2C=CC(Cl)=C[C@H]21 ZINC000253803003 EI Annotated Anodyne CN1[C@H]2CC[C@H]1/C(=C\c1ccsc1)C(=O)/C2=C/c1ccsc1 ZINC000253810759 EI Annotated Mild C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253854624 EI Annotated Mild C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253854627 EI Annotated Mild Oc1ccc(-c2cccnc2)cc1CNC[C@@H]1C[C@H]2C=C[C@H]1C21CC1 ZINC000253880685 EI Annotated Clean Oc1ccc(-c2cccnc2)cc1CNC[C@H]1C[C@H]2C=C[C@H]1C21CC1 ZINC000253880688 EI Annotated Clean COc1ccc2c(=NN=Cc3cccc(Cl)c3)cc(C)[nH]c2c1 ZINC000253895992 EI Annotated Mild CCCC[C@@H]1[C@H](OC(=O)OC)CCC[C@]12CCCCN2C(=O)OC ZINC000253918671 EI Annotated Anodyne CCCC[C@@H]1[C@@H](OC(=O)OC)CCC[C@]12CCCCN2C(=O)OC ZINC000253918675 EI Annotated Anodyne C=CCn1c(O)c(N=NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000253921135 EI Annotated Mild O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000253961048 EI Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Cl ZINC000253977923 EI Annotated Clean COc1ccc(N=Nc2c(-c3ccc(OC)cc3)noc2O)cc1 ZINC000253978936 EI Annotated Clean C=CCN(N=Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000253979400 EI Annotated Mild CCn1c(O)c(N=NC(=O)CNc2ccc(C)cc2)c2ccccc21 ZINC000253981561 EI Annotated Clean Cc1c(-c2ccccc2)n[nH]c1C(=O)N=Nc1c(O)[nH]c2ccccc12 ZINC000253983059 EI Annotated Clean Cc1cc(C)c2[nH]c(O)c(N=N/C(S)=N/C[C@H]3CCCO3)c2c1 ZINC000253986998 EI Annotated Mild Cc1cc(C)c2[nH]c(O)c(N=N/C(S)=N/C[C@@H]3CCCO3)c2c1 ZINC000253987002 EI Annotated Mild CCn1c(C)nc2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)ccc21 ZINC000253993097 EI Annotated Clean O=C(CSCc1ccccc1)N=Nc1c(O)[nH]c2ccccc12 ZINC000253995083 EI Annotated Clean C=CC[C@]1(O)[C@H]2[C@@H](c3ccccc3)[C@@H](C)[C@H]3C[C@]1(OC)O[C@]32CC=C ZINC000254005564 EI Annotated Mild C=CC[C@]1(O)[C@@H]2[C@@H](c3ccccc3)[C@@H](C)[C@H]3C[C@]1(OC)O[C@@]23CC=C ZINC000254005565 EI Annotated Mild C=CC[C@@]12O[C@@]3(OC)C[C@@H]1[C@H](C)[C@H](c1ccccc1)[C@@H]2[C@]3(O)CC=C ZINC000254005566 EI Annotated Mild C=CC[C@@]12O[C@@]3(OC)C[C@@H]1[C@H](C)[C@H](c1ccccc1)[C@H]2[C@]3(O)CC=C ZINC000254005567 EI Annotated Mild O=C(O)c1ccccc1C=NN=C1c2ccccc2-c2ccccc21 ZINC000254014812 EI Annotated Mild O=c1[nH]n2c(C(F)(F)F)cc(C3CC3)nc2c1N=Nc1ccccc1 ZINC000254029400 EI Annotated Clean Oc1ccc(N=Nc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000254035989 EI Annotated Clean COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@@H](/C=C\c1ccccc1)C2 ZINC000254046208 EI Annotated Anodyne COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@@H](/C=C/c1ccccc1)C2 ZINC000254046214 EI Annotated Anodyne C=C(CO[C@@H]1C=C[C@@H](c2ccccc2)O[C@H]1COC)c1ccccc1 ZINC000254047087 EI Annotated Mild C[C@]12C[C@H]3O[C@@H]3C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 ZINC000254047248 EI Annotated Anodyne C[C@]12C[C@@H]3O[C@@H]3C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 ZINC000254047251 EI Annotated Anodyne C[C@]12C[C@H]3O[C@@H]3C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 ZINC000254047255 EI Annotated Anodyne C[C@]12C[C@@H]3O[C@@H]3C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 ZINC000254047257 EI Annotated Anodyne CC(=O)Nc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1 ZINC000254047994 EI Annotated Mild Cc1ccc(S(=O)(=O)N2CC[C@H]3C[C@H]2c2cc(Cl)ccc23)cc1 ZINC000254071326 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(CO)[C@@H](CC[C@@H]12)C3 ZINC000254076546 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 ZINC000254076552 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@H]12 ZINC000254076556 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 ZINC000254093143 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 ZINC000254093145 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 ZINC000254093148 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 ZINC000254093150 EI Annotated Anodyne CC(C)(C)[C@@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@H]2OCCCO ZINC000254095623 EI Annotated Anodyne CC(C)(C)[C@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@H]2OCCCO ZINC000254095624 EI Annotated Anodyne O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccco1 ZINC000254096641 EI Annotated Clean CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@@H]3CC[C@]12C ZINC000254103695 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@H]3CC[C@]12C ZINC000254103698 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@H]3CC[C@@]12C ZINC000254103700 EI Annotated Anodyne CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@@H]3CC[C@@]12C ZINC000254103704 EI Annotated Anodyne COc1ccc(N=Cc2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000254104200 EI Annotated Mild O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@H]1c1ccccc12 ZINC000254113559 EI Annotated Anodyne O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@H]3[C@@H]1c1ccccc12 ZINC000254113562 EI Annotated Anodyne O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@H]3[C@H]1c1ccccc12 ZINC000254113566 EI Annotated Anodyne COc1cc(N=Nc2ccc(Br)cc2)cc(C=O)c1O ZINC000254134007 EI Annotated Clean CC(C)[Si](O[C@@]12CC[C@@H](C[C@H]1O)C[C@H]2C(=O)O)(C(C)C)C(C)C ZINC000254136546 EI Annotated Reactive CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@H]2C(=O)O)(C(C)C)C(C)C ZINC000254136550 EI Annotated Reactive CC(C)[Si](O[C@]12CC[C@H](C[C@@H]1C(=O)O)C[C@H]2O)(C(C)C)C(C)C ZINC000254136552 EI Annotated Reactive CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@@H]2C(=O)CCC[C@@H]2N1 ZINC000254156377 EI Annotated Reactive CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@H]2C(=O)CCC[C@@H]2N1 ZINC000254156378 EI Annotated Reactive CSc1ccc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1 ZINC000254309882 EI Annotated Mild Fc1ccc(-c2n[nH]c(=S)n2N=Cc2c[nH]c3ccccc23)cc1 ZINC000254346681 EI Annotated Mild aggregator COc1cccc(N=Cc2nc(-c3ccccc3)oc2OC(C)=O)c1 ZINC000254372279 EI Annotated Mild CC(/C=C/C=C/c1ccccc1)=NNC(=O)CNc1ccc(C)cc1 ZINC000254398812 EI Annotated Reactive aggregator O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccccc1)c1ccco1 ZINC000254400283 EI Annotated Mild aggregator CCCN(N=Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000254466164 EI Annotated Clean O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccccc1)c1ccoc1 ZINC000254480582 EI Annotated Mild aggregator O=C(NN=Cc1cccs1)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000254617428 EI Annotated Reactive aggregator Clc1ccc(N=C(c2ccccc2)N2CCOCC2)cc1Cl ZINC000254619035 EI Annotated Mild C(/C=C\c1ccco1)=NN1CCN(Cc2cccc3ccccc23)CC1 ZINC000254622134 EI Annotated Mild C/C(C=Nn1c(S)nnc1-c1ccc(Cl)cc1)=C\c1ccco1 ZINC000254623385 EI Annotated Mild aggregator O=[N+]([O-])c1ccc(O)c(C=NN=C2c3ccccc3-c3ccccc32)c1 ZINC000254668929 EI Annotated Mild aggregator CC1=C(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)CCC1 ZINC000254679549 EI Annotated Mild aggregator CC(/C=C/C=C/c1ccccc1)=NNC(=O)CNc1ccccc1C ZINC000254701233 EI Annotated Reactive aggregator Cc1cc2ncn(N=Cc3cc(Br)ccc3O)c2cc1C ZINC000254701447 EI Annotated Mild aggregator O=c1sc(C=NNc2ccccc2)c(Cl)n1Cc1ccccc1 ZINC000254703907 EI Annotated Mild aggregator Oc1ccccc1C=NC1=NN(c2cccc(C(F)(F)F)c2)CC1 ZINC000254735615 EI Annotated Mild aggregator C/C(C=Nn1c(-c2ccc(F)cc2)n[nH]c1=S)=C/c1ccco1 ZINC000254738295 EI Annotated Mild CC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1ccc(N(C)C)cc1 ZINC000254871509 EI Annotated Mild Cc1ccc(NC(=O)Cc2nc(-c3ccc(C#N)cc3)cs2)c(C)c1 ZINC000025666537 EI Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\SC)[C@@H]2C ZINC000025723700 EI Annotated Mild in-vitro biogenic c1ccc2c(c1)Oc1ccccc1C2SCCCN1CCOCC1 ZINC000025967506 EI Annotated Anodyne c1ccc2c(c1)Oc1ncccc1[C@@H]2SCCN1CCCCC1 ZINC000025970133 EI Annotated Anodyne c1ccc2c(c1)Oc1ncccc1[C@H]2SCCN1CCCCC1 ZINC000025970140 EI Annotated Anodyne Cc1cccc2c1Oc1ccccc1[C@@H]2SCCN1CCOCC1 ZINC000025970359 EI Annotated Anodyne Cc1cccc2c1Oc1ccccc1[C@H]2SCCN1CCOCC1 ZINC000025970366 EI Annotated Anodyne Cc1ccc2c(c1)[C@H](SCCN1CCOCC1)c1ccccc1O2 ZINC000025974056 EI Annotated Anodyne Cc1ccc2c(c1)[C@@H](SCCN1CCOCC1)c1ccccc1O2 ZINC000025974065 EI Annotated Anodyne FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 ZINC000025995333 EI Annotated Anodyne CC(C)Oc1ccccc1C/N=C(\S)c1ccc2cnccc2n1 ZINC000025999017 EI Annotated Mild CNC1=CC2=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)NC[C@@]54CC[C@H]3[C@@]2(C)CC1 ZINC000255204365 EI Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C(OC)[C@]4(C)[C@H]3CC[C@]12C ZINC000255218980 EI Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(O)C(=O)CC[C@]21C ZINC000255219573 EI Annotated Mild CC[C@]12CCC[N@+]3([O-])CCc4c(n(c5ccccc45)[C@H](OC)C1)[C@H]23 ZINC000255222473 EI Annotated Bother CC1(C)C(=O)CC[C@@H]2C1=CC(=O)[C@@H]1[C@@]2(C)CC[C@]2(C)CC(=O)C[C@@]12C ZINC000255230701 EI Annotated Mild CN[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC5=C(C)NC[C@@]54CC[C@H]32)C1 ZINC000255283646 EI Annotated Anodyne CC1(C)C(=O)CC[C@H]2[C@]34CC[C@]5(C)C(=O)CC[C@@]5(C)[C@@H]3C=C[C@@]21OC4 ZINC000255286075 EI Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@H](C)CC)C[C@H]12 ZINC000257436785 EI Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@@H](C)CC)C[C@H]12 ZINC000257436786 EI Annotated Mild CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@H](C)[C@]21C ZINC000257454367 EI Annotated Anodyne biogenic CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@H]3C[C@]21C=C3C ZINC000257501576 EI Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]2CC[C@H]3C[C@@]12C=C3C ZINC000257501577 EI Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C ZINC000257501578 EI Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21C=C3C ZINC000257501579 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C ZINC000257525712 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C ZINC000257525713 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000257525714 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C ZINC000257525715 EI Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000257702707 EI Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@H]12 ZINC000257702708 EI Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](CC[C@@H]12)C3 ZINC000257702709 EI Annotated Anodyne c1cc(NC2=NCCN2)ccc1Cc1ccc(OC2CCCCC2)cc1 ZINC000026004336 EI Annotated Anodyne CC(/C=C/C(=O)C1=C(O)[C@H](C)N(C)C1=O)=C\c1ccc2ccccc2c1 ZINC000026007281 EI Annotated Mild c1ccc(COC[C@@]23N[C@@H](Cc4ccccc42)c2ccccc23)cc1 ZINC000026012713 EI Annotated Anodyne c1ccc(COC[C@]23N[C@H](Cc4ccccc42)c2ccccc23)cc1 ZINC000026012720 EI Annotated Anodyne CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(O)c1Cl ZINC000026022225 EI Annotated Anodyne CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSc1ccccc1)C(=O)O ZINC000026026119 EI Annotated Anodyne CC1(C)C[C@H]1C(=O)N/C(=C\CCCCSc1ccccc1)C(=O)O ZINC000026026124 EI Annotated Anodyne C[C@H]1CC[C@@]2(OCCC[C@H]2C)O[C@@H]1COCOCc1ccccc1 ZINC000026159259 EI Annotated Anodyne Brc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@H]1CO2 ZINC000026161984 EI Annotated Anodyne Brc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@@H]1CO2 ZINC000026161992 EI Annotated Anodyne O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCCC1 ZINC000026175717 EI Annotated Anodyne C[C@H](NC(=S)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000026186021 EI Annotated Anodyne Clc1ccc([C@@H]([C@@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 ZINC000026250212 EI Annotated Anodyne Clc1ccc([C@H]([C@@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 ZINC000026250219 EI Annotated Anodyne Clc1ccc([C@@H]([C@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 ZINC000026250227 EI Annotated Anodyne Clc1ccc([C@H]([C@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 ZINC000026250234 EI Annotated Anodyne CCCOC(=O)c1[nH]c(Cl)c(C(=O)O[C@@H](C)C(C)(C)C)c1C ZINC000026254097 EI Annotated Anodyne CCCOC(=O)c1[nH]c(Cl)c(C(=O)O[C@H](C)C(C)(C)C)c1C ZINC000026254102 EI Annotated Anodyne CC[C@]12CCCn3c(C(=O)O)cc(c31)-c1ccccc1NC(=O)CC2 ZINC000026267732 EI Annotated Anodyne C/C=C/c1cc(-c2ccc(S(C)(=O)=O)cc2)n(C2CCCCC2)n1 ZINC000026269203 EI Annotated Anodyne Oc1c(Cl)cc(Cn2c(C3CC3)nc3ncccc32)cc1Cl ZINC000026272061 EI Annotated Anodyne Oc1c(Cl)cc(Cn2c(C3CC3)nc3cccnc32)cc1Cl ZINC000026272068 EI Annotated Anodyne CCCc1nc2ncccc2n1Cc1cc(Cl)c(O)c(Cl)c1 ZINC000026272547 EI Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C[C@@H]2CCCCN2C1=O)C(C)C ZINC000026275659 EI Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C[C@@H]2CCCCN2C1=O)C(C)C ZINC000026275665 EI Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C[C@H]2CCCCN2C1=O)C(C)C ZINC000026275671 EI Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C[C@H]2CCCCN2C1=O)C(C)C ZINC000026275675 EI Annotated Anodyne COC1=CC(=O)c2nc(-c3ccc(-c4ccccc4)cc3)ccc2C1=O ZINC000026278314 EI Annotated Mild Clc1ccc(/C(=C/n2cnnn2)OCc2ccccc2)c(Cl)c1 ZINC000026279505 EI Annotated Anodyne N#Cc1ccc(/N=C(S)/N=C(/N)c2c(Cl)cccc2Cl)cc1 ZINC000026292667 EI Annotated Mild C=C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000026293727 EI Annotated Anodyne O=C1CC2(CCN(CCc3ccccc3)CC2)OC=C1c1ccccc1 ZINC000026295509 EI Annotated Mild CN(C)CCSc1nc2ccccc2cc1-c1ccc(C#N)cc1 ZINC000026377018 EI Annotated Mild Cc1ncc(-c2cc3ccccc3nc2SCCN(C)C)s1 ZINC000026378612 EI Annotated Anodyne CCCCCCOc1ccccc1-c1nnc(NNC(C)C)s1 ZINC000026384048 EI Annotated Anodyne CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](CC1CCCCC1)[C@H]2O ZINC000026386871 EI Annotated Anodyne COc1cc2c(cc1OC)C(Nc1cccc(Cl)c1)=NC(C)(C)N2 ZINC000026389591 EI Annotated Anodyne CCC(=O)c1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 ZINC000026391462 EI Annotated Anodyne Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@H](C)O2 ZINC000026392041 EI Annotated Anodyne Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@@H](C)O2 ZINC000026392045 EI Annotated Anodyne C=C(C)Cn1cc(SCC/N=C2\CCCN2C)c2ccccc21 ZINC000026393969 EI Annotated Mild CC[C@@H](O)c1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 ZINC000026394668 EI Annotated Anodyne CC[C@H](O)c1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 ZINC000026394672 EI Annotated Anodyne CN1CCC/C1=N\CCSc1cn(CC2CC2)c2ccccc12 ZINC000026394747 EI Annotated Mild CNC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 ZINC000026397228 EI Annotated Anodyne C=CCCn1cc(SCC/N=C2\CCCN2C)c2ccccc21 ZINC000026400033 EI Annotated Mild CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C ZINC000026400894 EI Annotated Anodyne Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCNCC3)c2c1 ZINC000026400975 EI Annotated Anodyne CC(C)C(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026466384 EI Annotated Bother COC[C@@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026467970 EI Annotated Bother COC[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026467977 EI Annotated Bother Cc1ccc(S(=O)(=O)/N=C(\O)Sc2ccc(Cl)cc2)cc1 ZINC000026492846 EI Annotated Mild CC(=NNC(=S)Nc1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000261075894 EI Annotated Mild Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)cnc(=O)n1C ZINC000261084077 EI Annotated Anodyne CC(=NNC(=S)Nc1cccc(F)c1)c1cc2ccccc2o1 ZINC000261101263 EI Annotated Mild Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C ZINC000261101967 EI Annotated Anodyne CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1 ZINC000261112037 EI Annotated Mild C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@H]1C[C@H]2CC[C@H]1C2 ZINC000261119751 EI Annotated Anodyne C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000261119753 EI Annotated Anodyne CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2CCCC(=O)[C@H]21 ZINC000261139859 EI Annotated Anodyne CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2CCCC(=O)[C@@H]21 ZINC000261139861 EI Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCC3)c2cn1)c1ccccc1 ZINC000261145806 EI Annotated Anodyne Cc1ccc2cccc(N=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c2n1 ZINC000261148795 EI Annotated Mild CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](Nc2ncccn2)CC1 ZINC000261148993 EI Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@H]1C2 ZINC000261149367 EI Annotated Anodyne 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]21 ZINC000261150963 EI Annotated Mild C[n+]1c(-c2ccccc2)cc2c(=Cc3ccccc3)c3ccccc3n21 ZINC000261152280 EI Annotated Anodyne CC(=NNC(=S)Nc1ccccc1F)c1cc2ccccc2o1 ZINC000261152747 EI Annotated Mild COc1ccccc1NC(=S)NN=C(C)c1cc2ccccc2o1 ZINC000261159242 EI Annotated Mild CCCCOc1ccc(-c2nc(C=Nc3nccs3)c(O)o2)cc1 ZINC000261160459 EI Annotated Mild aggregator C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCCC3)c2cn1)c1ccccc1 ZINC000261178312 EI Annotated Anodyne c1ccc(OC[C@H]2[C@H]3CN(Cc4nc5ccccc5s4)C[C@@H]23)cc1 ZINC000261180966 EI Annotated Anodyne c1ccc(OC[C@@H]2[C@H]3CN(Cc4nc5ccccc5s4)C[C@H]32)cc1 ZINC000261180968 EI Annotated Anodyne CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl ZINC000261185433 EI Annotated Anodyne CCCCC[C@]1(C)NN=C2N=CC=CN2C1=Nc1c(C)cccc1C ZINC000263590329 EI Annotated Mild CCCCC[C@@]1(C)NN=C2N=CC=CN2C1=Nc1c(C)cccc1C ZINC000263590330 EI Annotated Mild C/C(C=NNC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)=C/c1ccco1 ZINC000263590514 EI Annotated Reactive C[C@H]1[C@H]2C[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](C2)[C@H]2CCCCN12 ZINC000263590651 EI Annotated Anodyne C[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(F)cc3)[C@@H](C2)[C@H]2CCCCN12 ZINC000263590686 EI Annotated Anodyne Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1C ZINC000263590801 EI Annotated Anodyne Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1C ZINC000263590802 EI Annotated Anodyne Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 ZINC000263590873 EI Annotated Anodyne Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 ZINC000263590874 EI Annotated Anodyne C[C@@H]1CC(=O)C([C@@H](C2=C(O)C[C@@H](C)CC2=O)c2ccccc2)=C(O)C1 ZINC000263591428 EI Annotated Mild CC(C)(C)c1ccc(O)c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000263591934 EI Annotated Mild Cc1cc(O)nc(N=N/C(=N/Nc2ccccc2C)c2ccccc2)n1 ZINC000263592105 EI Annotated Mild O=C(N=C1c2ccccc2CN1c1cccc(Cl)c1)c1cccnc1 ZINC000263592215 EI Annotated Mild C=C[C@@](C)(CCC=C(C)C)C1=C(O)C(=O)c2cc(O)cc(O)c2C1=O ZINC000263614925 EI Annotated Mild C=C[C@](C)(CCC=C(C)C)C1=C(O)C(=O)c2cc(O)cc(O)c2C1=O ZINC000263614926 EI Annotated Mild Cc1ccccc1-n1c(C)cc(C=NNc2ccc([N+](=O)[O-])cn2)c1C ZINC000263622424 EI Annotated Mild aggregator COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@H]1CC[C@H]2C(C)C)OC4 ZINC000263636834 EI Annotated Anodyne COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@H]1CC[C@@H]2C(C)C)OC4 ZINC000263636835 EI Annotated Anodyne COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@@H]1CC[C@@H]2C(C)C)OC4 ZINC000263636836 EI Annotated Anodyne COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@@H]1CC[C@H]2C(C)C)OC4 ZINC000263636837 EI Annotated Anodyne COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@@H]1CC[C@H]2C(C)C ZINC000263639046 EI Annotated Anodyne COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@H]1CC[C@@H]2C(C)C ZINC000263639047 EI Annotated Anodyne COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@@H]1CC[C@@H]2C(C)C ZINC000263639048 EI Annotated Anodyne COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@H]1CC[C@H]2C(C)C ZINC000263639049 EI Annotated Anodyne COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCCO)=N1 ZINC000026570966 EI Annotated Anodyne O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1ccccc1 ZINC000026571656 EI Annotated Anodyne O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccccc1 ZINC000026571660 EI Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026574038 EI Annotated Anodyne CC(C)(C)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026574040 EI Annotated Anodyne C#CCCCn1c2ccccc2c2cc[n+]3nc(CC)c(CC)cc3c21 ZINC000026576734 EI Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@H]1CCOC1=O ZINC000026577831 EI Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H]1CCOC1=O ZINC000026577832 EI Annotated Mild CC1(C)C=Cc2c(cc3c4c2oc2ccccc2c4nn3CCO)O1 ZINC000026578065 EI Annotated Bother C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O ZINC000026578477 EI Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O ZINC000026579027 EI Annotated Mild CN(C)CCCOc1nccc(-c2ccc(-c3cccs3)s2)n1 ZINC000026579326 EI Annotated Anodyne CNC(=S)C1=CC2(CCCCCC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000026579693 EI Annotated Bother CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1 ZINC000026579951 EI Annotated Mild CC(C)(C)n1nc2c3ccccc3n(Cc3cccs3)cc-2c1=O ZINC000026638189 EI Annotated Anodyne COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 ZINC000026638195 EI Annotated Mild CCCCn1nc2c3ccccc3n(Cc3cccs3)cc-2c1=O ZINC000026642945 EI Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3cc[nH]c3)(c3cc[nH]c3)[C@@H]2c2cccc[n+]21 ZINC000026646843 EI Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cc[nH]c3)(c3cc[nH]c3)[C@H]2c2cccc[n+]21 ZINC000026646846 EI Annotated Anodyne O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1CC1CCC1 ZINC000026650362 EI Annotated Anodyne O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1C1CCCC1 ZINC000026650377 EI Annotated Anodyne FC(F)(F)c1ccc(NC(=S)NCCC2=CCCCC2)nc1 ZINC000026657482 EI Annotated Anodyne O=C1CCCC2=C1[C@H](c1cc([N+](=O)[O-])cs1)C1=C(O)CCCC1=N2 ZINC000026658744 EI Annotated Mild O=C1CCCC2=C1[C@@H](c1cc([N+](=O)[O-])cs1)C1=C(O)CCCC1=N2 ZINC000026658750 EI Annotated Mild Cc1ccc(CC/N=C2/CCC(NCCc3ccc(C)cc3)=N2)cc1 ZINC000026668896 EI Annotated Mild CC(C)NC1=N/C(=N\CCc2ccc(Cl)cc2)c2ccccc21 ZINC000026672383 EI Annotated Mild N=c1sc2cc(OC(F)(F)F)ccc2n1CCc1ccccc1 ZINC000026721294 EI Annotated Anodyne CCCCCc1cc(O)c2c(c1)SC(C)(C)C[C@H]2NC[C@@H](C)O ZINC000026725978 EI Annotated Clean CCCCCc1cc(O)c2c(c1)SC(C)(C)C[C@H]2NC[C@H](C)O ZINC000026725983 EI Annotated Clean CSc1ccc(-c2cc3cc(C4=NNC(=O)CC4)ccc3[nH]2)cc1 ZINC000026727055 EI Annotated Anodyne CC[C@H](Nc1ncnc2c1ncn2-c1ccccc1)c1ccccc1 ZINC000026727498 EI Annotated Anodyne CC[C@@H](Nc1ncnc2c1ncn2-c1ccccc1)c1ccccc1 ZINC000026727882 EI Annotated Anodyne in-vivo CCCCCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 ZINC000026728444 EI Annotated Anodyne N#CC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026730687 EI Annotated Mild N#CC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026730691 EI Annotated Mild COc1ccc2c(c1)C(C)(C)[C@H]1CCN3Cc4ccccc4C[C@H]3[C@H]1N2 ZINC000026732326 EI Annotated Anodyne O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1c[nH]c2ccccc12 ZINC000026732760 EI Annotated Anodyne O=C(c1ccn2c1CS[C@H]2c1cccnc1)c1c[nH]c2ccccc12 ZINC000026732764 EI Annotated Anodyne COc1ccc(C(=O)c2ccccc2)c(O)c1NCc1ccccc1 ZINC000026742426 EI Annotated Anodyne COCO[C@H]1C[C@@H]2CC(=O)[C@@H]3[C@@H](C#N)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000026748612 EI Annotated Mild COCO[C@H]1C[C@@H]2CC(=O)[C@H]3[C@@H](C#N)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000026748615 EI Annotated Mild O=C[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 ZINC000026815908 EI Annotated Mild O=C[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 ZINC000026815912 EI Annotated Mild CC1(C)C=C(N2CCCCC2=O)c2cc(C(F)(F)F)ccc2O1 ZINC000026818881 EI Annotated Anodyne CC1(C)C=C(N2CCCCC2=O)c2c(cccc2C(F)(F)F)O1 ZINC000026822523 EI Annotated Anodyne CC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc2O1 ZINC000026822575 EI Annotated Anodyne CCCN(CC1CC1)c1nc(-c2cccc3cc(OC)ccc23)n[nH]1 ZINC000026846441 EI Annotated Anodyne CSc1cc(-c2ccc(Br)cc2)oc(=O)c1Cl ZINC000026846526 EI Annotated Anodyne C/C(Cl)=C\C[N+]1(CC#Cc2cccc3ccccc23)CCOCC1 ZINC000026950144 EI Annotated Mild CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026952370 EI Annotated Anodyne CC(=O)N1CCC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026952382 EI Annotated Anodyne CC(=O)N1CCC[C@@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026952391 EI Annotated Anodyne CC(=O)N1CCC[C@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026952398 EI Annotated Anodyne Oc1ccc(C2=Cc3ccc(O)cc3O[C@H]2c2ccc(O)cc2)cc1 ZINC000026957001 EI Annotated Anodyne Oc1ccc(C2=Cc3ccc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1 ZINC000026957014 EI Annotated Anodyne Cc1[nH]cnc1Cn1ccc2c3ccccc3c3ccccc3c2c1=O ZINC000026982066 EI Annotated Bother COc1c(-c2ccc(C(C)C)cc2)oc2ccc(C(=O)O)cc2c1=O ZINC000026993896 EI Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(C/N=C(\S)c2cc(Cl)ccc2O)C1 ZINC000026994065 EI Annotated Mild Cc1ccc(-c2oc3ccc(C(=O)O)cc3c(=O)c2OC(C)C)cc1 ZINC000027076268 EI Annotated Anodyne CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1cccs1 ZINC000027079577 EI Annotated Anodyne O=C1C[C@H](C2CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027087655 EI Annotated Anodyne O=C1C[C@@H](C2CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027087660 EI Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(C/N=C(\S)c2cc(Cl)ccc2O)C1 ZINC000027087693 EI Annotated Mild CCCCCN(C)C1(c2cccc(O)c2)CCC2(CC1)OCCO2 ZINC000027092675 EI Annotated Anodyne CC[C@H](C)N(/C(S)=N/N=C/c1ccc([N+](=O)[O-])s1)[C@H](C)CC ZINC000027096512 EI Annotated Mild CC[C@H](C)N(/C(S)=N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H](C)CC ZINC000027096520 EI Annotated Mild CC[C@@H](C)N(/C(S)=N/N=C/c1ccc([N+](=O)[O-])s1)[C@H](C)CC ZINC000027096524 EI Annotated Mild Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)N1CCCc1cccnc1 ZINC000027098525 EI Annotated Anodyne c1ccc(C(CCNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc2)cc1 ZINC000027106015 EI Annotated Anodyne CC(C)(C)c1cc(-c2cn3c(n2)S(=O)C=C3)cc(C(C)(C)C)c1O ZINC000027108578 EI Annotated Anodyne C=CCN1C(=O)[C@H](CCCc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000027190087 EI Annotated Mild CC1(C)CN(C(=O)c2cccc(F)c2)c2cc([N+](=O)[O-])ccc2S1 ZINC000027195051 EI Annotated Bother O=C1C=C(c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccccc21 ZINC000027196045 EI Annotated Mild C1CCCC(/N=C(/NC2CCCCCCC2)N2CCOCC2)CCC1 ZINC000027197335 EI Annotated Mild CC(C)OC(=O)CCCc1ccc2c(c1)C(=O)c1sccc1CO2 ZINC000027208476 EI Annotated Anodyne CC(C)C[C@@H]1CN2C(=NC[C@@H]2C)N1[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000027211229 EI Annotated Anodyne CC(C)C[C@@H]1CN2C(=NC[C@@H]2C)N1[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000027211233 EI Annotated Anodyne CCCCc1nc2[nH]ncc2c2nc(-c3ccc(C(C)(C)C)cc3)nn12 ZINC000027211791 EI Annotated Anodyne C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000027213658 EI Annotated Anodyne C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000027213661 EI Annotated Anodyne O=C1c2ccccc2-c2nnc(-c3ccc(N4CCCCC4)cc3)cc21 ZINC000027301769 EI Annotated Clean CCOc1nc(C)nc2nc(N)c(-c3c(Cl)cccc3Cl)cc12 ZINC000027301821 EI Annotated Anodyne COc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1 ZINC000027303675 EI Annotated Anodyne Cc1cc(CCCCCOc2ccc(C3=NCCO3)c(Cl)c2)on1 ZINC000027304410 EI Annotated Anodyne Oc1n[nH]c(C(F)(F)F)c1Cc1ccc(SC(F)(F)F)cc1 ZINC000027305030 EI Annotated Anodyne CCCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 ZINC000027305240 EI Annotated Anodyne CCCN1CCN(CCC)[C@H]2c3c(C)c4ccccc4n3CC[C@@H]21 ZINC000027307370 EI Annotated Anodyne Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1[S@@](C)=O ZINC000027307787 EI Annotated Anodyne Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1[S@](C)=O ZINC000027307792 EI Annotated Anodyne CCCCN1CCN(CC)[C@@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 ZINC000027316747 EI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000027320130 EI Annotated Mild CN(C)Cc1nnc2cc(-c3ccccc3)c3cc(Cl)ccc3n12 ZINC000027322485 EI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C=C(Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000027324414 EI Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000027325975 EI Annotated Mild N#Cc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 ZINC000027326387 EI Annotated Mild C[C@H](Cc1c[nH]cn1)/N=C(\c1ccccc1)c1ccc(Cl)cc1O ZINC000027328955 EI Annotated Mild C=CCC1(O)CCC(c2ccc(Br)cc2)(N(C)C)CC1 ZINC000027407908 EI Annotated Mild O=S1c2ccccc2-c2cc(N(CCCl)CCCl)ccc21 ZINC000027411727 EI Annotated Reactive C[S@@](=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 ZINC000027415171 EI Annotated Anodyne C[S@](=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 ZINC000027415176 EI Annotated Anodyne CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc2ccccc21 ZINC000027419987 EI Annotated Anodyne CCCC[C@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C ZINC000027421125 EI Annotated Anodyne CCCc1cc(CCC)n2nc(SCc3ccccc3)nc2n1 ZINC000027427275 EI Annotated Anodyne N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3cc(-c4ccccc4)ccc3[C@@H]21 ZINC000027430126 EI Annotated Anodyne N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3cc(-c4ccccc4)ccc3[C@@H]21 ZINC000027430131 EI Annotated Anodyne CN(C)C1(c2ccc(Cl)cc2Cl)CCC2(CC1)OCCO2 ZINC000027433759 EI Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCC)CCC)[C@H]3C[C@@H]12 ZINC000027433931 EI Annotated Mild CCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1 ZINC000027434785 EI Annotated Anodyne CCCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C ZINC000027441766 EI Annotated Anodyne N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000027442751 EI Annotated Anodyne N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000027442755 EI Annotated Anodyne CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3c(C)cccc32)C1(C)C ZINC000027442888 EI Annotated Anodyne CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3c(C)cccc32)C1(C)C ZINC000027442894 EI Annotated Anodyne O=C(O)CSc1ccc2c(-c3ccccc3F)noc2c1Cl ZINC000027517307 EI Annotated Anodyne COc1c(C)cc(N2C(=O)/C(=C\N(C)C)c3ccccc32)cc1Cl ZINC000027517310 EI Annotated Anodyne COc1ccc(N2C(=O)/C(=C(/C)N(C)C)c3ccccc32)cc1Cl ZINC000027517476 EI Annotated Anodyne CCOC(=O)COc1ccc2c(-c3ccccc3F)noc2c1Cl ZINC000027517481 EI Annotated Anodyne CCOC1(OCC)[C@@H]2c3cccc(C)c3[C@@H]([n+]3ccccc32)C1(C)C ZINC000027517497 EI Annotated Anodyne CCOC1(OCC)[C@H]2c3cccc(C)c3[C@H]([n+]3ccccc32)C1(C)C ZINC000027517498 EI Annotated Anodyne CCOC1(OCC)[C@H]2c3c(C)cccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000027517560 EI Annotated Anodyne CCOC1(OCC)[C@@H]2c3c(C)cccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000027517561 EI Annotated Anodyne CCN1CCN(c2nc(-c3ccccc3)cc3cc(C)ccc23)CC1 ZINC000027519649 EI Annotated Anodyne Cc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2C)on1 ZINC000027521240 EI Annotated Anodyne O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@H](CCc3ccccc3)CN12 ZINC000027521906 EI Annotated Anodyne Cc1c(C(=O)c2cncnc2)oc2cc(-c3ccccc3)cc(O)c12 ZINC000027522286 EI Annotated Anodyne O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@@H](CCc3ccccc3)CN12 ZINC000027522751 EI Annotated Anodyne CC[C@H](C)N(CC[C@@](CC(C)C)(C(N)=O)c1ccccn1)[C@H](C)CC ZINC000027522990 EI Annotated Anodyne CC[C@H](C)N(CC[C@@](CC(C)C)(C(N)=O)c1ccccn1)[C@@H](C)CC ZINC000027522992 EI Annotated Anodyne CC[C@H](C)N(CC[C@](CC(C)C)(C(N)=O)c1ccccn1)[C@H](C)CC ZINC000027522994 EI Annotated Anodyne CC[C@H](C)N(CC[C@](CC(C)C)(C(N)=O)c1ccccn1)[C@@H](C)CC ZINC000027522996 EI Annotated Anodyne Cc1cccc2c([C@@H](O)[C@@H]3CCCCN3)cc(-c3ccccc3)nc12 ZINC000027523799 EI Annotated Anodyne Cc1cccc2c([C@H](O)[C@@H]3CCCCN3)cc(-c3ccccc3)nc12 ZINC000027523800 EI Annotated Anodyne Cc1cccc2c([C@@H](O)[C@H]3CCCCN3)cc(-c3ccccc3)nc12 ZINC000027523801 EI Annotated Anodyne Cc1cccc2c([C@H](O)[C@H]3CCCCN3)cc(-c3ccccc3)nc12 ZINC000027523802 EI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)[C@@H]3CCCCN3)c2c1 ZINC000027523962 EI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)[C@@H]3CCCCN3)c2c1 ZINC000027523963 EI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)[C@H]3CCCCN3)c2c1 ZINC000027523964 EI Annotated Anodyne Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)[C@H]3CCCCN3)c2c1 ZINC000027523965 EI Annotated Anodyne O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@@H]1CCCCN1 ZINC000027524208 EI Annotated Anodyne O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@@H]1CCCCN1 ZINC000027524209 EI Annotated Anodyne O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@H]1CCCCN1 ZINC000027524210 EI Annotated Anodyne O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@H]1CCCCN1 ZINC000027524211 EI Annotated Anodyne CC(C)c1ccc(C(C)C)c([C@@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1 ZINC000027525331 EI Annotated Anodyne CC(C)c1ccc(C(C)C)c([C@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1 ZINC000027525333 EI Annotated Anodyne Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)sc2n1 ZINC000027547257 EI Annotated Anodyne COc1ccc2[nH]c3c(C)c4ccnc(COC(C)=O)c4cc3c2c1 ZINC000027549304 EI Annotated Bother c1ccc2c(c1)C[C@@H](SCCN1CCOCC1)c1ccccc1O2 ZINC000027549718 EI Annotated Anodyne c1ccc2c(c1)C[C@H](SCCN1CCOCC1)c1ccccc1O2 ZINC000027549722 EI Annotated Anodyne CC1(C)CC(=O)C(C)(C)c2nc(-c3cccc(C(F)(F)F)c3)nnc21 ZINC000027552841 EI Annotated Anodyne CNC(=O)OCc1c2cnccc2c(C)c2[nH]c3ccc(OC)cc3c12 ZINC000027552920 EI Annotated Bother Cc1cc(/C(N)=N/c2nc(-c3ccccn3)cc3ccccc23)ccn1 ZINC000027554380 EI Annotated Mild Cc1cccc(/C(N)=N/c2nc(-c3ccccn3)cc3ccccc23)n1 ZINC000027554382 EI Annotated Mild CC1(C)C=C(n2cc(Cl)c(=O)c(Cl)c2)c2cc(C#N)ccc2O1 ZINC000027554944 EI Annotated Mild CC1(C)C=C(n2cc(Cl)cc(Cl)c2=O)c2cc(C#N)ccc2O1 ZINC000027555093 EI Annotated Mild CC(C)CO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027555743 EI Annotated Anodyne CC(C)CO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027555745 EI Annotated Anodyne COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)CC2 ZINC000027555856 EI Annotated Mild C1=C(SCCN2CCOCC2)c2ccccc2Oc2ccccc21 ZINC000027556194 EI Annotated Anodyne CCCCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027557769 EI Annotated Anodyne CCCCO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027557771 EI Annotated Anodyne COc1cc2c(cc1OCC=C(C)C)CCN=C2C(=O)c1ccccc1 ZINC000027558093 EI Annotated Anodyne CCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027561443 EI Annotated Anodyne CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027561445 EI Annotated Anodyne CCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027561447 EI Annotated Anodyne CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027561449 EI Annotated Anodyne CC#CCOc1cc([C@@H](CO)Cc2cccc3ccccc23)ncc1C ZINC000027624136 EI Annotated Mild CC#CCOc1cc([C@H](CO)Cc2cccc3ccccc23)ncc1C ZINC000027624143 EI Annotated Mild Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)c1 ZINC000027625582 EI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)c1 ZINC000027625587 EI Annotated Anodyne Cc1cc(C)nc(N(CCCCN(C(C)C)C(C)C)C(=O)N(C)C)c1 ZINC000027625993 EI Annotated Anodyne N/C(=N\c1nc(-c2c[nH]c3ccccc23)cs1)NCc1ccccc1 ZINC000027633683 EI Annotated Mild N/C(=N/c1nc(-c2cccc(Cl)c2)cs1)NCc1ccccc1 ZINC000027635061 EI Annotated Mild CCCOc1oc(=O)c2cc(NC(=O)CC(C)C)ccc2c1Cl ZINC000027635104 EI Annotated Anodyne C[C@H]1c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 ZINC000027637870 EI Annotated Anodyne C[C@@H]1c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 ZINC000027637876 EI Annotated Anodyne CC(C)n1c(-c2ccccc2)nc(=O)c2cc(Br)ccc21 ZINC000027638346 EI Annotated Anodyne CC(=O)N(O)c1ccc(/C=C\c2ccc(Br)cc2)cc1 ZINC000027641328 EI Annotated Anodyne CC(C)n1c(-c2ccccc2Br)nc(=O)c2ccccc21 ZINC000027646022 EI Annotated Anodyne CSc1nc(Nc2ccc(Br)cc2)c2cccnc2n1 ZINC000027646422 EI Annotated Anodyne CC(C)n1c(-c2ccc(Br)cc2)nc(=O)c2ccccc21 ZINC000027646544 EI Annotated Anodyne C1=C(/C=C/c2ccccc2)CCN(CCc2cc3cccnc3[nH]2)C1 ZINC000027650201 EI Annotated Anodyne COc1ccc(-c2nc3c4ccccc4ccc3n2[C@@H](C)CO)cc1 ZINC000027656659 EI Annotated Anodyne COc1ccc(-c2nc3c4ccccc4ccc3n2[C@H](C)CO)cc1 ZINC000027656661 EI Annotated Anodyne O=[N+]([O-])c1c(O)c(F)c(OCc2ccc3ccccc3c2)c(F)c1F ZINC000027657734 EI Annotated Bother C=C(C)[C@H]1CC=C(COc2c(F)c(O)c([N+](=O)[O-])c(F)c2F)CC1 ZINC000027707803 EI Annotated Mild C=C(C)[C@@H]1CC=C(COc2c(F)c(O)c([N+](=O)[O-])c(F)c2F)CC1 ZINC000027707808 EI Annotated Mild NCCCN(Cc1ccccc1)Cc1ccc(Cc2ccncc2)cc1 ZINC000027716306 EI Annotated Anodyne C/N=c1\nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)s1 ZINC000027735754 EI Annotated Anodyne CCCc1ccc(Oc2cc(NCc3ccccc3)nc(N)n2)cc1 ZINC000027736537 EI Annotated Anodyne C/N=c1\nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)s1 ZINC000027738715 EI Annotated Anodyne CCN1C(=S)N(c2cc(Cl)ccc2C)C(=O)[C@@H]1c1ccccc1 ZINC000027747357 EI Annotated Anodyne CCN1C(=S)N(c2cc(Cl)ccc2C)C(=O)[C@H]1c1ccccc1 ZINC000027747366 EI Annotated Anodyne CCNc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 ZINC000027818562 EI Annotated Anodyne CSc1ccc(-c2c(-c3ccncc3)nc3n2CCS3)cc1 ZINC000027851159 EI Annotated Anodyne CSc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1 ZINC000027853844 EI Annotated Anodyne O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1Cc1ccccn1 ZINC000027859180 EI Annotated Bother Cc1ccc(SCCN(C)C)c2c(=O)c3ccccc3sc12 ZINC000027869209 EI Annotated Bother CC(C)=CCN1CCn2c(S)nc3cc(Cl)c4c(c32)[C@H]1CC4 ZINC000027870838 EI Annotated Anodyne CC(C)=CCN1CCn2c(S)nc3cc(Cl)c4c(c32)[C@@H]1CC4 ZINC000027870845 EI Annotated Anodyne CC(=O)/C(=C\c1ccccc1)Oc1ccccc1OC[C@H](C)N(C)C ZINC000027870931 EI Annotated Mild CC(=O)/C(=C\c1ccccc1)Oc1ccccc1OC[C@@H](C)N(C)C ZINC000027870937 EI Annotated Mild OCc1ccc(-c2nn(Cc3c(F)cccc3F)c3ccccc23)o1 ZINC000027875013 EI Annotated Anodyne CC(=O)/C(=C\c1ccccc1)Oc1ccccc1OCCCN(C)C ZINC000027876789 EI Annotated Mild CC(=O)/C(=C\c1ccccc1)Oc1ccc(OC[C@H](C)N(C)C)cc1 ZINC000027879465 EI Annotated Mild CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027884854 EI Annotated Mild CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027884862 EI Annotated Mild CON1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1 ZINC000027885087 EI Annotated Anodyne CCC(=CCN1Cc2c(C)ncc3[nH]c(=S)n(c23)C[C@@H]1C)CC ZINC000027886694 EI Annotated Anodyne CCC(=CCN1Cc2c(C)ncc3[nH]c(=S)n(c23)C[C@H]1C)CC ZINC000027886701 EI Annotated Anodyne CC(C)CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027886863 EI Annotated Mild CC(C)CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027886870 EI Annotated Mild CN1CCC(Sc2cn(C)c3ccc(Br)cc23)CC1 ZINC000027886922 EI Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](Cl)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000027889521 EI Annotated Reactive Cc1ccc(OC[C@@H]2O[C@H](Cl)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000027889536 EI Annotated Reactive CCCN1CN(CCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000027891520 EI Annotated Anodyne Cc1ccsc1C(=O)CCCCOc1ccc(C2=NCCO2)cc1 ZINC000027892757 EI Annotated Anodyne Cc1csc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c1 ZINC000027899583 EI Annotated Anodyne CCN(CC)CC(=O)N(C)c1ccc(Sc2ccccc2)cc1 ZINC000027988831 EI Annotated Anodyne C/C(=N\N=C(/S)N1CCCCCC1)c1nccc2ccccc12 ZINC000027989150 EI Annotated Mild CN(C)CC(=O)N(C)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000027990746 EI Annotated Anodyne O=C(O)[C@@H]1Cc2cc(Cc3cccs3)c(Cl)c(Cl)c2O1 ZINC000027991108 EI Annotated Anodyne O=C(O)[C@H]1Cc2cc(Cc3cccs3)c(Cl)c(Cl)c2O1 ZINC000027991114 EI Annotated Anodyne Cc1cc(C)c2c(c1)/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2 ZINC000027993328 EI Annotated Anodyne Cc1cc(C)c2c(c1)/C(=C\[C@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2 ZINC000027993333 EI Annotated Anodyne CCc1cc2c(s1)Nc1ccc(F)cc1N/C2=N\CCCN(C)C ZINC000027993814 EI Annotated Mild Nc1ccc(CCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 ZINC000028003434 EI Annotated Clean Nc1ccc(CCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 ZINC000028003438 EI Annotated Clean Nc1ccc(CCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 ZINC000028003443 EI Annotated Clean Nc1ccc(CCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 ZINC000028003448 EI Annotated Clean CCCC[C@@H]1[C@@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC ZINC000028005351 EI Annotated Anodyne CCCC[C@H]1[C@@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC ZINC000028005354 EI Annotated Anodyne CCCC[C@@H]1[C@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC ZINC000028005359 EI Annotated Anodyne CCCC[C@H]1[C@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC ZINC000028005362 EI Annotated Anodyne C/C(=N\N=C(/S)NCc1ccccc1)c1nccc2ccccc12 ZINC000028005735 EI Annotated Mild CN(C)CCCCCOc1nn(Cc2ccccc2)c2ccccc12 ZINC000028009158 EI Annotated Anodyne C[C@@H](c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2 ZINC000028010307 EI Annotated Anodyne C[C@H](c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2 ZINC000028010312 EI Annotated Anodyne Cc1ccc2oc(N[C@@H](CC3CCCCC3)C3=CN(C)NO3)nc2c1 ZINC000028010819 EI Annotated Anodyne Cc1ccc2oc(N[C@H](CC3CCCCC3)C3=CN(C)NO3)nc2c1 ZINC000028010824 EI Annotated Anodyne CC1=N[C@H](c2ccc(O)cc2Cl)[C@H](c2ccc(O)cc2Cl)N1 ZINC000028012718 EI Annotated Anodyne CCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COC(=O)N4 ZINC000028017156 EI Annotated Bother Cc1cnc(NC(=O)C2=C(O)c3ccccc3SC2(C)C)s1 ZINC000028094874 EI Annotated Anodyne CCn1ncc2c1n/c(=N\c1ccccc1)n1ccc3ccccc3c21 ZINC000028099219 EI Annotated Bother CN(O)C(=O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000028101599 EI Annotated Anodyne in-vivo CCCC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O ZINC000028107709 EI Annotated Anodyne Cc1ccccc1Sc1nc(Nc2ccc(C#N)cc2)c(=O)[nH]c1C ZINC000028112499 EI Annotated Mild CN1CC=C(c2cn(C(=O)Nc3ccccc3)c3ccccc23)CC1 ZINC000028123884 EI Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1nc2c(Cl)cccc2s1 ZINC000028126774 EI Annotated Bother CCCCNC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC000028217993 EI Annotated Anodyne CCCCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC000028217997 EI Annotated Anodyne CCO[C@@H](c1ccc(OC)cc1)c1ccc(C(C)C)cc(=O)c1O ZINC000028220281 EI Annotated Anodyne CCO[C@H](c1ccc(OC)cc1)c1ccc(C(C)C)cc(=O)c1O ZINC000028220285 EI Annotated Anodyne CCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1CC ZINC000028228209 EI Annotated Anodyne COc1cc2nc(C(=O)c3ccccc3)cn2c2cc(C)c(C)cc12 ZINC000028233766 EI Annotated Anodyne C=CCN[C@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237201 EI Annotated Mild C=CCN[C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237205 EI Annotated Mild C=CCN[C@@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237211 EI Annotated Mild C=CCN[C@@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237215 EI Annotated Mild CCN[C@@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237410 EI Annotated Anodyne CCN[C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237415 EI Annotated Anodyne CCN[C@@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237421 EI Annotated Anodyne CCN[C@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 ZINC000028237426 EI Annotated Anodyne CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@@H]1N(C)C ZINC000028238662 EI Annotated Anodyne CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@@H]1N(C)C ZINC000028238668 EI Annotated Anodyne CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1N(C)C ZINC000028238674 EI Annotated Anodyne CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@H]1N(C)C ZINC000028238680 EI Annotated Anodyne Cc1cc([C@@](O)(c2ccc(C(C)C)cc2)C2CCN(C)CC2)sn1 ZINC000028244297 EI Annotated Anodyne Cc1cc([C@](O)(c2ccc(C(C)C)cc2)C2CCN(C)CC2)sn1 ZINC000028244305 EI Annotated Anodyne O=[N+]([O-])c1cc(/C=N/c2ccc(-c3ncon3)cc2)ccc1Cl ZINC000028246326 EI Annotated Mild Cc1cc([C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C)CC2)sn1 ZINC000028247144 EI Annotated Anodyne Cc1cc([C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C)CC2)sn1 ZINC000028247151 EI Annotated Anodyne Cc1noc(C)c1[C@H](OC1CCNCC1)c1ccc(C(C)C)cc1 ZINC000028249048 EI Annotated Anodyne Cc1noc(C)c1[C@@H](OC1CCNCC1)c1ccc(C(C)C)cc1 ZINC000028249067 EI Annotated Anodyne CCCCCc1ccc([C@H](c2ccns2)N2CCN(C)CC2)cc1 ZINC000028250025 EI Annotated Anodyne CCCCCc1ccc([C@@H](c2ccns2)N2CCN(C)CC2)cc1 ZINC000028250032 EI Annotated Anodyne Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@@H](C)N[C@H](C)C2)sn1 ZINC000028250894 EI Annotated Anodyne Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@H](C)C2)sn1 ZINC000028250901 EI Annotated Anodyne Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@@H](C)N[C@H](C)C2)sn1 ZINC000028250909 EI Annotated Anodyne Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@H](C)C2)sn1 ZINC000028250916 EI Annotated Anodyne CC[C@@H](C)c1ccc([C@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 ZINC000028252662 EI Annotated Anodyne CC[C@H](C)c1ccc([C@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 ZINC000028252668 EI Annotated Anodyne CC[C@@H](C)c1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 ZINC000028252675 EI Annotated Anodyne CC[C@H](C)c1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 ZINC000028252681 EI Annotated Anodyne CCCCc1ccc([C@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 ZINC000028256444 EI Annotated Anodyne CCCCc1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 ZINC000028256449 EI Annotated Anodyne CC(C)CNC(=O)c1cc2ccccc2c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000028330630 EI Annotated Bother CC[C@@H](c1ccc(C(F)(F)F)cc1)n1c(C(=O)OC)c[nH]c1=S ZINC000028334104 EI Annotated Anodyne CC[C@H](c1ccc(C(F)(F)F)cc1)n1c(C(=O)OC)c[nH]c1=S ZINC000028334111 EI Annotated Anodyne CCC(CC)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000028334222 EI Annotated Anodyne COC(=O)c1c[nH]c(=S)n1C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000028346186 EI Annotated Anodyne COc1c(-c2ccc3c(c2)C[C@H](N(C)C)CO3)ccc2ccccc12 ZINC000028349608 EI Annotated Anodyne CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c[nH]c1=S ZINC000028350884 EI Annotated Anodyne CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c[nH]c1=S ZINC000028350888 EI Annotated Anodyne COC(=O)c1c[nH]c(=S)n1[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028351040 EI Annotated Anodyne COC(=O)c1c[nH]c(=S)n1[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000028351043 EI Annotated Anodyne CCOc1ccccc1-c1nc(O)c2onc(C3CCCC3)c2n1 ZINC000028357750 EI Annotated Anodyne CCCN(CC1CC1)c1nc(C)nc(C(=O)c2ccccc2C)c1C ZINC000028361090 EI Annotated Anodyne C=CCN(CC=C)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C ZINC000028369122 EI Annotated Mild CC/C=C/C[C@H]1C(=O)CC[C@@H]1CC(=O)OCC(F)(F)C(F)(F)F ZINC000028371435 EI Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)OCC(F)(F)C(F)(F)F ZINC000028371441 EI Annotated Anodyne CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)OCC(F)(F)C(F)(F)F ZINC000028371449 EI Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)OCC(F)(F)C(F)(F)F ZINC000028371455 EI Annotated Anodyne O=C1C[C@@H](C2(c3cccc4ccccc34)SCCCS2)CO1 ZINC000028374505 EI Annotated Anodyne O=C1C[C@H](C2(c3cccc4ccccc34)SCCCS2)CO1 ZINC000028374513 EI Annotated Anodyne Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Cc1ccc(Cl)cc1 ZINC000028375511 EI Annotated Anodyne COc1ccc(Sc2c(C)[nH]c3cc(S(C)(=O)=O)ccc23)cc1 ZINC000028382190 EI Annotated Anodyne Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(Cl)cc1 ZINC000028382512 EI Annotated Anodyne COC(=O)C1=C(c2ccc(Br)cc2)C[C@H]2CC[C@@H]1S2 ZINC000028385618 EI Annotated Anodyne COC(=O)C1=C(c2ccc(Br)cc2)C[C@@H]2CC[C@H]1S2 ZINC000028385624 EI Annotated Anodyne CC[C@H](c1ccccc1)N1CC[C@@H](Oc2cccc3ccc(N)nc23)C1 ZINC000028385771 EI Annotated Anodyne CC[C@@H](c1ccccc1)N1CC[C@@H](Oc2cccc3ccc(N)nc23)C1 ZINC000028385778 EI Annotated Anodyne Cc1cccc(C)c1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028389109 EI Annotated Anodyne CC(C)c1ccc(CNCCCOc2cccc3ccc(N)nc23)cc1 ZINC000028390463 EI Annotated Anodyne N#CCc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12 ZINC000028391251 EI Annotated Mild Cc1cccc(C)c1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028455229 EI Annotated Anodyne Clc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028456237 EI Annotated Anodyne CC(C)/N=C(/N)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1 ZINC000028467841 EI Annotated Mild C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(OC(=O)C(F)(F)F)[C@@H]2C1 ZINC000028469279 EI Annotated Reactive C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(OC(=O)C(F)(F)F)[C@H]2C1 ZINC000028469283 EI Annotated Reactive Cc1ccc2c(c1)sc1c(=O)[nH]c3ccc(/C(N)=N\C(C)C)cc3c12 ZINC000028471974 EI Annotated Mild C[n+]1c2ccc(F)cc2cc2[nH]c3ccc(Br)cc3c21 ZINC000028472448 EI Annotated Bother Cc1ccc2[nH]c(=O)c3sc4cc(/C(N)=N\C(C)C)ccc4c3c2c1 ZINC000028474328 EI Annotated Mild CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(/C=[N+](\[O-])C(C)(C)C)O2 ZINC000028474575 EI Annotated Mild CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(/C=[N+](\[O-])C(C)(C)C)O2 ZINC000028474578 EI Annotated Mild CC(C)/N=C(/N)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12 ZINC000028475644 EI Annotated Mild Cc1ccc2cc3[nH]c4ccc(Br)cc4c3[n+](C)c2c1 ZINC000028477009 EI Annotated Bother CC(C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028478182 EI Annotated Anodyne O=c1nc(-c2ccc(O)c3ccccc23)[nH]c2sc3c(c12)CCCC3 ZINC000028521328 EI Annotated Anodyne O=C(O)/C(=C/c1ccc(-c2ccccc2)s1)NC(=O)c1ccccc1 ZINC000028522860 EI Annotated Anodyne CN(C)C[C@H]1C[C@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 ZINC000028523621 EI Annotated Anodyne CN(C)C[C@@H]1C[C@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 ZINC000028523813 EI Annotated Anodyne CC[C@@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 ZINC000028524149 EI Annotated Anodyne CC[C@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 ZINC000028524150 EI Annotated Anodyne Clc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1Cl ZINC000028524483 EI Annotated Anodyne CC(C)[C@@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 ZINC000028525215 EI Annotated Anodyne CC(C)[C@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 ZINC000028525216 EI Annotated Anodyne COc1cccc(C(=O)N2CCCC2)c1O[C@@H](C)c1ccccc1 ZINC000028525217 EI Annotated Anodyne COc1cccc(C(=O)N2CCCC2)c1O[C@H](C)c1ccccc1 ZINC000028525218 EI Annotated Anodyne CC[C@@H](N)COc1nc(-c2cccs2)c(C)c(-c2cccs2)n1 ZINC000028525323 EI Annotated Anodyne CC[C@H](N)COc1nc(-c2cccs2)c(C)c(-c2cccs2)n1 ZINC000028525324 EI Annotated Anodyne N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2ccnc2)c1 ZINC000028525372 EI Annotated Mild Cc1ccccc1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000028526299 EI Annotated Mild CNCCC[C@@H]1Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O ZINC000028526674 EI Annotated Anodyne CNCCC[C@H]1Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O ZINC000028526675 EI Annotated Anodyne Cc1ccc(C(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC000028526889 EI Annotated Mild Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1 ZINC000028527133 EI Annotated Anodyne CNCCC[C@@]1(C)Cc2ccccc2N(c2ccc(F)c(F)c2)C1=O ZINC000028527806 EI Annotated Anodyne CNCCC[C@]1(C)Cc2ccccc2N(c2ccc(F)c(F)c2)C1=O ZINC000028527808 EI Annotated Anodyne CNCCC[C@@]1(C)Cc2ccccc2N(c2cc(F)cc(F)c2)C1=O ZINC000028527825 EI Annotated Anodyne CNCCC[C@]1(C)Cc2ccccc2N(c2cc(F)cc(F)c2)C1=O ZINC000028527827 EI Annotated Anodyne O=C1Oc2ccccc2/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 ZINC000028527957 EI Annotated Anodyne CCOc1cc(-c2ccccc2C#N)cnc1Nc1cccc(C)n1 ZINC000028528160 EI Annotated Mild CCC[C@@]1(CC(=O)O)OCCc2c1sc1c(C)ccc(C#N)c21 ZINC000028564199 EI Annotated Mild COc1ccc2c(CN(C)C)cc3cc(OC)c(OC)cc3c2c1 ZINC000028565875 EI Annotated Bother Cc1c2n(c3ccccc13)CCN[C@@H]2c1ccc(Br)cc1 ZINC000028566706 EI Annotated Anodyne Cc1c2n(c3ccccc13)CCN[C@H]2c1ccc(Br)cc1 ZINC000028566708 EI Annotated Anodyne Cc1c(C)c2c(c3c1O[C@H](c1ccc(O)c(O)c1)C3)CCC(C)(C)O2 ZINC000028566901 EI Annotated Clean Cc1c(C)c2c(c3c1O[C@@H](c1ccc(O)c(O)c1)C3)CCC(C)(C)O2 ZINC000028566903 EI Annotated Clean Cc1c(C)c2c(c(CCc3ccc(O)c(O)c3)c1O)CCC(C)(C)O2 ZINC000028567243 EI Annotated Clean O=C(CCC[C@H](O)c1ccccc1)NCCC1=CCc2ccccc21 ZINC000028567785 EI Annotated Anodyne O=C(CCC[C@@H](O)c1ccccc1)NCCC1=CCc2ccccc21 ZINC000028567786 EI Annotated Anodyne COCc1ccnc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 ZINC000028568289 EI Annotated Anodyne CC(C)=CCOc1cc(Nc2nc(N)cc(Cl)n2)ccc1Cl ZINC000028568291 EI Annotated Anodyne COc1cc(OC)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 ZINC000028568365 EI Annotated Anodyne CCCN(c1c(C)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1 ZINC000028568712 EI Annotated Anodyne Cc1c(O)c(Cl)c(C)c2c1c(=O)oc1c(Cl)c(O)ccc12 ZINC000028571350 EI Annotated Bother CCCCCC#C[C@@H]1C[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000028572240 EI Annotated Mild CCCCCC#C[C@H]1C[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000028572241 EI Annotated Mild CCCCCC#C[C@@H]1C[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000028572242 EI Annotated Mild CCCCCC#C[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000028572243 EI Annotated Mild O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)o1 ZINC000028572596 EI Annotated Anodyne c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1 ZINC000028572775 EI Annotated Anodyne CCN1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000028634792 EI Annotated Anodyne Oc1noc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1 ZINC000028635053 EI Annotated Anodyne Oc1noc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1 ZINC000028635318 EI Annotated Anodyne CCc1c(O)nc(SC2CCCC2)nc1C(=O)c1ccccc1 ZINC000028635786 EI Annotated Anodyne C=CCOc1cc(O)c(C(=O)CC(C)C)c(O)c1C(=O)CC(C)C ZINC000028640326 EI Annotated Mild CC(C)c1ccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)cc1 ZINC000028641127 EI Annotated Mild Cc1c(Cc2c(F)cccc2F)c(=O)ccn1Cc1ccccc1 ZINC000028641548 EI Annotated Anodyne COc1ccc(CCc2nc3ccccc3n3cccc23)cc1OC ZINC000028641851 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@H](CC[C@H]12)C3 ZINC000028641865 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]21)C[C@@H]4CO ZINC000028641866 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@H]4CO ZINC000028641868 EI Annotated Anodyne in-vitro biogenic COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]21)C[C@@H]4CO ZINC000028641869 EI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 ZINC000028645040 EI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 ZINC000028645043 EI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)Nc1ccccn1)CC2 ZINC000028645046 EI Annotated Anodyne COc1ccccc1[C@@H]1C=CN(C(=O)Oc2ccccc2)C=C1C(C)=O ZINC000028649359 EI Annotated Mild COc1ccccc1[C@H]1C=CN(C(=O)Oc2ccccc2)C=C1C(C)=O ZINC000028649363 EI Annotated Mild COc1ccc([C@@H]2C=CN(C(=O)Oc3ccccc3)C=C2C(C)=O)cc1 ZINC000028649367 EI Annotated Mild COc1ccc([C@H]2C=CN(C(=O)Oc3ccccc3)C=C2C(C)=O)cc1 ZINC000028649371 EI Annotated Mild Cc1nc2ccc(N3C(=O)CS[C@@H]3c3c[nH]c4ccccc34)cc2[nH]1 ZINC000028652022 EI Annotated Anodyne Cc1nc2ccc(N3C(=O)CS[C@H]3c3c[nH]c4ccccc34)cc2[nH]1 ZINC000028652026 EI Annotated Anodyne COc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1OC ZINC000028654821 EI Annotated Anodyne Cc1oc2c(CC(C)C)c(O)c(O)c(O)c2c(=O)c1-c1ccccc1 ZINC000028656072 EI Annotated Clean Cc1cccc([C@@H]2NC(C(C)(C)C)=N[C@@H]2c2ccc3nccnc3c2)n1 ZINC000028656356 EI Annotated Anodyne Cc1cccc([C@H]2NC(C(C)(C)C)=N[C@@H]2c2ccc3nccnc3c2)n1 ZINC000028656360 EI Annotated Anodyne Cc1cccc([C@@H]2NC(C(C)(C)C)=N[C@H]2c2ccc3nccnc3c2)n1 ZINC000028656363 EI Annotated Anodyne Cc1cccc([C@H]2NC(C(C)(C)C)=N[C@H]2c2ccc3nccnc3c2)n1 ZINC000028656365 EI Annotated Anodyne Cc1nc(N)nc2c1c(CCc1ccccc1)cn2Cc1ccccc1 ZINC000028701736 EI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2c2ccccc2)cc1 ZINC000028704322 EI Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2c2ccccc2)cc1 ZINC000028704324 EI Annotated Anodyne S=C(Nc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000028707062 EI Annotated Anodyne S=C(Nc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000028707065 EI Annotated Anodyne CCCCNc1nc2c(C)cc(C)cc2n1Cc1nc(C)ccc1O ZINC000028710377 EI Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(O)cc3)o2)SC1=S ZINC000028710832 EI Annotated Mild O/N=C1\C[C@@H](c2ccco2)N[C@@H](c2ccco2)[C@@H]1Cc1ccccc1 ZINC000028711829 EI Annotated Mild O/N=C1\C[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H]1Cc1ccccc1 ZINC000028711830 EI Annotated Mild O/N=C1\C[C@@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1Cc1ccccc1 ZINC000028711831 EI Annotated Mild O/N=C1\C[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H]1Cc1ccccc1 ZINC000028711832 EI Annotated Mild Oc1ccc(-c2nnc(Cc3cccc4ccccc34)s2)c(O)c1 ZINC000028712191 EI Annotated Anodyne Cc1cc(Cl)ccc1OCc1nnc(-c2ccc(O)cc2O)s1 ZINC000028712194 EI Annotated Anodyne Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3C(C)C ZINC000028712254 EI Annotated Anodyne Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3C(C)C ZINC000028712255 EI Annotated Anodyne Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)sc1C ZINC000028712616 EI Annotated Anodyne Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)sc1C ZINC000028712617 EI Annotated Anodyne S=C(N/N=C\c1c[nH]c2ccccc12)NC1CCCCCCC1 ZINC000028712745 EI Annotated Mild CCn1c(-c2cc(-c3ccc(F)cc3F)ccc2O)n[nH]c1=S ZINC000028712827 EI Annotated Anodyne C=CCn1c(-c2cc(-c3ccc(F)cc3F)ccc2O)n[nH]c1=S ZINC000028712828 EI Annotated Mild CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)s1 ZINC000028712838 EI Annotated Anodyne C=CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)s1 ZINC000028712840 EI Annotated Mild O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(F)cc1 ZINC000028713233 EI Annotated Anodyne O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(F)cc1 ZINC000028713234 EI Annotated Anodyne N#Cc1ccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028713245 EI Annotated Mild N#Cc1ccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028713246 EI Annotated Mild COc1ccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028713247 EI Annotated Anodyne COc1ccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028713248 EI Annotated Anodyne Cc1cccnc1N1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028713269 EI Annotated Anodyne Cc1cccnc1N1C(=O)CS[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028713270 EI Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)c1 ZINC000028713272 EI Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)c1 ZINC000028713273 EI Annotated Anodyne Cc1ccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)nc1 ZINC000028713274 EI Annotated Anodyne Cc1ccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)nc1 ZINC000028713275 EI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000028713280 EI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000028713281 EI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)c1 ZINC000028713282 EI Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)c1 ZINC000028713283 EI Annotated Anodyne FC(F)(F)c1ccnc(-n2nc3c(c2-c2ccccc2)CCCC3)n1 ZINC000028713492 EI Annotated Anodyne O=C1Nc2ccccc2C(=O)N2C=C(c3cccc4ccccc34)C[C@@H]12 ZINC000028714156 EI Annotated Anodyne CCCCc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)nc1 ZINC000028755509 EI Annotated Anodyne CCCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1 ZINC000028760240 EI Annotated Anodyne C/C(=N/O)c1ccc(COc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028760374 EI Annotated Mild O=c1c2c(c3cccnc3n1-c1ccc(Cl)c(Cl)c1)OCCC2 ZINC000028762066 EI Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 ZINC000028764437 EI Annotated Anodyne CC(C)COc1ccc(Cl)cc1/C(=C\CN(C)C)n1ccnc1 ZINC000028764475 EI Annotated Anodyne CC(C)COc1ccc(Cl)cc1/C(=C/CN(C)C)n1ccnc1 ZINC000028764477 EI Annotated Anodyne CCN1C(=O)N(C2CCN([C@@H](C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21 ZINC000028764891 EI Annotated Anodyne CCN1C(=O)N(C2CCN([C@H](C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21 ZINC000028764892 EI Annotated Anodyne CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000028765474 EI Annotated Anodyne CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000028766111 EI Annotated Anodyne CCCSc1ccc2c(c1)nc(NC(=O)OC)n2C(=O)CCC ZINC000028767072 EI Annotated Anodyne O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1cccc(Cl)c1 ZINC000028768054 EI Annotated Anodyne O[C@](c1ccc(Cl)cc1)(c1cncnc1)c1cccc(Cl)c1 ZINC000028768056 EI Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3noc(CF)n3)cc2C)on1 ZINC000028768374 EI Annotated Anodyne O[C@@](c1ccccc1)(c1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000028769609 EI Annotated Anodyne O[C@](c1ccccc1)(c1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000028769611 EI Annotated Anodyne CCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 ZINC000028770124 EI Annotated Anodyne Cc1nc(-c2cc(C)c(OCCCc3cccc(F)n3)c(C)c2)no1 ZINC000028770248 EI Annotated Anodyne Cc1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)cn1 ZINC000028770871 EI Annotated Anodyne CNCCN1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@@H]1C ZINC000028771952 EI Annotated Anodyne CNCCN1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C ZINC000028771955 EI Annotated Anodyne CCCNCCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C ZINC000028771986 EI Annotated Anodyne CCCNCCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1C ZINC000028771988 EI Annotated Anodyne CCSC[C@](C)(O)c1cc2cc(C#N)c(C(F)(F)F)cc2n1C ZINC000028817087 EI Annotated Mild CCn1c([C@@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028817584 EI Annotated Anodyne CCn1c([C@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028817586 EI Annotated Anodyne CCC(=O)Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028817716 EI Annotated Anodyne CC(C)(O)c1[nH]c2cc(C(F)(F)F)c(C#N)cc2c1Br ZINC000028818453 EI Annotated Mild Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCCCCC1 ZINC000028818481 EI Annotated Anodyne CCc1c(C)[nH]c(=O)c(Br)c1Oc1cc(C)cc(C)c1 ZINC000028818664 EI Annotated Anodyne CCCCSc1ncnc2ccc(I)cc12 ZINC000028819728 EI Annotated Anodyne CCSC[C@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2o1 ZINC000028820638 EI Annotated Bother CCSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2[nH]1 ZINC000028820640 EI Annotated Bother CCSC[C@](C)(O)c1cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2[nH]1 ZINC000028820643 EI Annotated Bother ClC1=C[C@@H](CCC=C(Br)Br)OCC1 ZINC000028821708 EI Annotated Anodyne ClC1=C[C@H](CCC=C(Br)Br)OCC1 ZINC000028821709 EI Annotated Anodyne CCCC[C@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@H]1N ZINC000028821801 EI Annotated Anodyne CCCC[C@@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@@H]1N ZINC000028821803 EI Annotated Anodyne CCCC[C@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@@H]1N ZINC000028821804 EI Annotated Anodyne CNC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1 ZINC000028822107 EI Annotated Anodyne Oc1ccc(-c2noc(CCCC[C@@H]3CCSS3)n2)cc1O ZINC000028823685 EI Annotated Reactive Oc1ccc(-c2noc(CCCC[C@H]3CCSS3)n2)cc1O ZINC000028823686 EI Annotated Reactive CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O ZINC000028824306 EI Annotated Clean CC(C)CCn1c(Cn2c(=O)oc3ccccc32)nc2ccccc21 ZINC000028824371 EI Annotated Anodyne CC(C)CCn1c(CN2C(=O)Cc3ccccc32)nc2ccccc21 ZINC000028824380 EI Annotated Anodyne O=c1ccc2ccccc2n1Cc1nc2ccccc2n1CCCCF ZINC000028824447 EI Annotated Anodyne O[C@H]1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 ZINC000028826478 EI Annotated Anodyne O[C@@H]1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 ZINC000028826479 EI Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)c2ccc(Br)o2)s1 ZINC000028826785 EI Annotated Mild COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(C2CCCCC2)n1 ZINC000028867832 EI Annotated Anodyne Cc1ccc(C)c(N[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1 ZINC000028870957 EI Annotated Mild Cc1ccc(C)c(N[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c1 ZINC000028870961 EI Annotated Mild O=C(c1cnc(Nc2ccc(F)cc2)c2ccccc12)n1ccnc1 ZINC000028871006 EI Annotated Anodyne COC(=O)[C@@H](C)n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O ZINC000028873218 EI Annotated Anodyne COC(=O)[C@H](C)n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O ZINC000028873223 EI Annotated Anodyne CN1[C@H]2CC[C@@H]1CC(Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C2 ZINC000028875923 EI Annotated Bother CN1[C@H]2CC[C@@H]1CC(Oc1ccc(C#N)cc1)(c1ccc(F)cc1)C2 ZINC000028875989 EI Annotated Mild COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12 ZINC000028877013 EI Annotated Bother in-vitro NC(=O)c1ccccc1[C@H]1CCCO[C@H](c2ccc(Cl)cc2)OC1 ZINC000028877669 EI Annotated Anodyne NC(=O)c1ccccc1[C@H]1CCCO[C@@H](c2ccc(Cl)cc2)OC1 ZINC000028877684 EI Annotated Anodyne Cc1cc(C)c2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2 ZINC000028884309 EI Annotated Anodyne Cc1ccc2c(c1C)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884520 EI Annotated Anodyne CCc1ncnc(N[C@@H](C)c2cc3c(cc2O)CCCC3)c1Cl ZINC000028887587 EI Annotated Clean CCc1ncnc(N[C@H](C)c2cc3c(cc2O)CCCC3)c1Cl ZINC000028887592 EI Annotated Clean COc1cc2c(c(OC)c1)C(=O)/C(=C/c1c(F)cccc1Cl)N2 ZINC000028888959 EI Annotated Mild O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1 ZINC000028889293 EI Annotated Anodyne in-vivo CCSC[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1CC ZINC000028890287 EI Annotated Anodyne CCSC[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1CC ZINC000028890293 EI Annotated Anodyne CCCSC[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890302 EI Annotated Anodyne CCCSC[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890308 EI Annotated Anodyne CC(C)CSC[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890347 EI Annotated Anodyne CC(C)CSC[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890351 EI Annotated Anodyne COc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1 ZINC000028898048 EI Annotated Anodyne CCNC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000028900209 EI Annotated Anodyne in-vivo Cc1ccc(/N=C/c2ccc3cc2OCC#C/C=C\C#CCO3)cc1 ZINC000028901208 EI Annotated Mild Clc1ccc(/N=C/c2ccc3cc2OCC#C/C=C\C#CCO3)cc1 ZINC000028901213 EI Annotated Mild Clc1ccc(NCc2ccc3cc2OCC#C/C=C\C#CCO3)cc1 ZINC000028901233 EI Annotated Mild COc1ccccc1/N=C1\SCC(C)(C)CN1C(=S)SC ZINC000028948362 EI Annotated Mild FC(F)(F)Oc1ccc(C2=NCCC[C@@H](c3ccccc3)N2)cc1 ZINC000028948570 EI Annotated Anodyne FC(F)(F)Oc1ccc(C2=NCCC[C@H](c3ccccc3)N2)cc1 ZINC000028948571 EI Annotated Anodyne FC(F)(F)Oc1ccc(C2=N[C@H](c3cccc(Cl)c3)CN2)cc1 ZINC000028948573 EI Annotated Anodyne FC(F)(F)Oc1ccc(C2=N[C@@H](c3cccc(Cl)c3)CN2)cc1 ZINC000028948576 EI Annotated Anodyne CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 ZINC000028949257 EI Annotated Anodyne COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000028949727 EI Annotated Anodyne COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000028949729 EI Annotated Anodyne COc1ccc(C2=C(c3ccc(C)cc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000028949731 EI Annotated Anodyne COc1ccc(C2=C(c3ccc(C)cc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000028949732 EI Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)N1c3ccc(Cl)cc3CC[C@H]21 ZINC000028951010 EI Annotated Clean CCC[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954174 EI Annotated Anodyne CCC[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954176 EI Annotated Anodyne CC(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954178 EI Annotated Anodyne CC(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954180 EI Annotated Anodyne C=C(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954199 EI Annotated Mild C=C(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954201 EI Annotated Mild C/C=C\[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954203 EI Annotated Anodyne C/C=C\[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954205 EI Annotated Anodyne C/C=C/[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954206 EI Annotated Anodyne C/C=C/[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954208 EI Annotated Anodyne C=C=C(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954226 EI Annotated Anodyne C=C=C(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954227 EI Annotated Anodyne C=CC[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954233 EI Annotated Mild C=CC[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F ZINC000028954235 EI Annotated Mild FC(F)(F)[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCO1 ZINC000028954280 EI Annotated Anodyne FC(F)(F)[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCO1 ZINC000028954282 EI Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccccc2)n1CC1CC1 ZINC000028954318 EI Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(F)c2)n1CC1CC1 ZINC000028954320 EI Annotated Anodyne CN(C)Cc1ccc(CCCCCCNC(=O)Nc2ccccc2)o1 ZINC000028955689 EI Annotated Anodyne CSc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 ZINC000028958737 EI Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCCCC4)cc3)C2)o1 ZINC000028961959 EI Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCCCC4)cc3)C2)o1 ZINC000028961964 EI Annotated Bother O=C1Cc2cnn(-c3cc(Cl)cc(Cl)c3)c2-c2ccccc2N1 ZINC000028963948 EI Annotated Anodyne CC(C)(C)c1ccc(-n2ncc3c2-c2ccccc2NC(=O)C3)cc1 ZINC000028963954 EI Annotated Anodyne O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(Cl)ccc21 ZINC000028964615 EI Annotated Anodyne O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000028964620 EI Annotated Anodyne O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(C3CC3)ccc21 ZINC000028964763 EI Annotated Anodyne O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(C3CC3)ccc21 ZINC000028964769 EI Annotated Anodyne COc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2Cl)cc1 ZINC000028965652 EI Annotated Anodyne CCO[C@@]12CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC(=O)[C@]3(C1)OC(=O)C2 ZINC000028968295 EI Annotated Anodyne CC(C)N(C(NCc1ccc(Cl)cc1)=[N+](C)C)C1CCCCC1 ZINC000028972824 EI Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@H]2CC[C@H](C)[C@@]13C ZINC000028973298 EI Annotated Anodyne COc1ccc2c(c1)S[C@H](C(=O)O)CC(c1ccc(F)cc1C)=N2 ZINC000028976811 EI Annotated Anodyne COc1ccc2c(c1)S[C@@H](C(=O)O)CC(c1ccc(F)cc1C)=N2 ZINC000028976816 EI Annotated Anodyne Cc1cc(F)ccc1C1=Nc2c(F)cccc2S[C@@H](C(=O)O)C1 ZINC000028976856 EI Annotated Anodyne Cc1cc(F)ccc1C1=Nc2c(F)cccc2S[C@H](C(=O)O)C1 ZINC000028976863 EI Annotated Anodyne CNc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 ZINC000028978523 EI Annotated Anodyne CNc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 ZINC000028978527 EI Annotated Anodyne CC(=O)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 ZINC000029037446 EI Annotated Anodyne CC(=O)c1ccc(Oc2c3ccccc3nc3c2c(C)nn3C)cc1 ZINC000029037869 EI Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)ccc1O ZINC000029039212 EI Annotated Anodyne O=C1C=C(Oc2ccc(F)cc2F)C(=O)c2cc3ccccc3cc21 ZINC000029041076 EI Annotated Mild Cc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1Br ZINC000029041088 EI Annotated Mild C=C[C@@]1(C)Cc2c(OC(C)=O)ccc(OC(C)=O)c2C[C@H]1C(=C)C ZINC000029041863 EI Annotated Mild C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/c3cc(C)c(o3)[C@H]1O)OC2=O ZINC000029042306 EI Annotated Mild N#Cc1ccc(Oc2c3cc4c(cc3nc3occc23)OCO4)cc1 ZINC000029044009 EI Annotated Mild CCSCCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000029044268 EI Annotated Bother C[C@@](C#N)(COc1ccccc1Cl)NC(=O)c1ccc(Cl)cc1 ZINC000029045750 EI Annotated Mild C[C@](C#N)(COc1ccccc1Cl)NC(=O)c1ccc(Cl)cc1 ZINC000029045753 EI Annotated Mild C[C@@]1(c2cccs2)CC(c2cccs2)=Cc2ncnc(N)c21 ZINC000029046019 EI Annotated Anodyne C[C@]1(c2cccs2)CC(c2cccs2)=Cc2ncnc(N)c21 ZINC000029046021 EI Annotated Anodyne CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br ZINC000029046204 EI Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3C(=C)C[C@@]21CC ZINC000029050986 EI Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3C(=C)C[C@@]21CC ZINC000029050994 EI Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3C(=C)C[C@@]21CC ZINC000029051003 EI Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3C(=C)C[C@@]21CC ZINC000029051007 EI Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)C[C@H]4C[C@H](O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC ZINC000029051347 EI Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC ZINC000029051933 EI Annotated Mild O=C1Cc2c(n(-c3ccccc3)c3ccccc23)-c2ncccc2N1 ZINC000029053525 EI Annotated Clean O=[N+]([O-])c1ccc2nc3c(nc2c1)-c1cccc2c([N+](=O)[O-])ccc-3c12 ZINC000029059254 EI Annotated Bother O=C1N/C(=N\c2nc3ccccc3s2)S/C1=C\c1ccccc1 ZINC000029061018 EI Annotated Mild CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c[nH]c2ccccc12 ZINC000029061811 EI Annotated Anodyne Cn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21 ZINC000029124644 EI Annotated Anodyne C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N=C1S ZINC000029125432 EI Annotated Bother C[C@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N=C1S ZINC000029125433 EI Annotated Bother COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1 ZINC000029125490 EI Annotated Mild O=C(CCCC1CCN(C(=O)CC2CCCCC2)CC1)c1ncco1 ZINC000029126221 EI Annotated Anodyne COc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl ZINC000029126369 EI Annotated Anodyne Cc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl ZINC000029126411 EI Annotated Anodyne Cc1cc(-c2c(-c3ccccc3)c3cc(C#N)ccc3[nH]c2=O)on1 ZINC000029126751 EI Annotated Mild CC(C)(F)[C@@H]1COc2ccc([N+](=O)[O-])cc2[C@@H]1C#Cc1ccccc1 ZINC000029127703 EI Annotated Mild Cn1ccnc1Sc1cnc(C(C)(C)C)nc1-c1ccccc1O ZINC000029128165 EI Annotated Anodyne CN(C)CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000029128320 EI Annotated Anodyne CN(C)CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000029128321 EI Annotated Anodyne O=c1c2ccccc2c2c(n1Cc1ccccc1)-c1ccccc1[C@H]2O ZINC000029129423 EI Annotated Anodyne O=c1c2ccccc2c2c(n1Cc1ccccc1)-c1ccccc1[C@@H]2O ZINC000029129425 EI Annotated Anodyne c1ccc(-n2nc(-c3cccc4ccccc34)n[n+]2-c2ccccc2)cc1 ZINC000029131122 EI Annotated Anodyne CCCc1cc(=O)oc2c1c1c(c3occc(=O)c32)C=CC(C)(C)O1 ZINC000029133649 EI Annotated Bother COc1ccc2c(N/N=C/c3ccc4ccccc4n3)ccnc2c1 ZINC000029135154 EI Annotated Mild COc1ccc2nccc(N/N=C/c3ccc4ccccc4n3)c2c1 ZINC000029135340 EI Annotated Mild c1ccc(CNc2nc(CN3CCCCC3)nc3ccsc23)cc1 ZINC000029208314 EI Annotated Anodyne c1ccc(CNc2nc(Cc3ccncc3)nc3ccsc23)cc1 ZINC000029209724 EI Annotated Anodyne Nc1c2c(nc3cc(Br)ccc13)N(C1CCCCC1)CC2 ZINC000029213960 EI Annotated Anodyne CC(=O)Oc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3n2C)cc1 ZINC000029227703 EI Annotated Anodyne CC(=O)Oc1ccc(-c2c(C)c3ccc(OC(C)=O)cc3n2C)cc1 ZINC000029230594 EI Annotated Anodyne CC1(C)C(=O)Nc2cc3[nH]c(-c4cnc5ccccc5c4)nc3cc21 ZINC000029250175 EI Annotated Anodyne COC(C)(C)[C@@H](O)CC[C@@H](C)C/C=C/C(C)=C/C(=O)OC(C)C ZINC000029254858 EI Annotated Anodyne COC(C)(C)[C@H](O)CC[C@@H](C)C/C=C/C(C)=C/C(=O)OC(C)C ZINC000029254863 EI Annotated Anodyne COC(C)(C)[C@@H](O)CC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C ZINC000029254869 EI Annotated Anodyne COC(C)(C)[C@H](O)CC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C ZINC000029254873 EI Annotated Anodyne CC1(C)C(=O)Nc2cc3[nH]c(-c4ccnc5ccccc45)nc3cc21 ZINC000029308726 EI Annotated Anodyne CC1(C)C(=O)Nc2cc3[nH]c(-c4ccc(-n5ccnc5)cc4)cc3cc21 ZINC000029310049 EI Annotated Anodyne CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@@H](OC)C(C)(C)OC ZINC000029312753 EI Annotated Anodyne CCOC(=O)/C=C(C)/C=C/C[C@H](C)CC[C@@H](OC)C(C)(C)OC ZINC000029312759 EI Annotated Anodyne CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@H](OC)C(C)(C)OC ZINC000029312765 EI Annotated Anodyne CCOC(=O)/C=C(C)/C=C/C[C@H](C)CC[C@H](OC)C(C)(C)OC ZINC000029312771 EI Annotated Anodyne COc1ccc([C@@H]2CC[C@@H](OC/C=C/c3cccnc3)O2)cc1OC ZINC000029313636 EI Annotated Anodyne COc1ccc([C@H]2CC[C@@H](OC/C=C/c3cccnc3)O2)cc1OC ZINC000029313642 EI Annotated Anodyne COc1ccc([C@@H]2CC[C@H](OC/C=C/c3cccnc3)O2)cc1OC ZINC000029313648 EI Annotated Anodyne COc1ccc([C@H]2CC[C@H](OC/C=C/c3cccnc3)O2)cc1OC ZINC000029313654 EI Annotated Anodyne CN1CCC(C)(OC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000029314926 EI Annotated Anodyne COC(=O)c1cc(C)n(/C(=N\c2cccc(C)c2C)c2ccccc2)n1 ZINC000029317786 EI Annotated Mild COC(=O)c1cc(C)n(/C(=N\c2ccc(C)cc2)c2ccc(C)cc2)n1 ZINC000029318096 EI Annotated Mild COc1ccc([C@@H]2CCc3cc(CC(=O)O)cc(Cl)c3N2)cc1 ZINC000029320836 EI Annotated Anodyne COc1ccc([C@H]2CCc3cc(CC(=O)O)cc(Cl)c3N2)cc1 ZINC000029320841 EI Annotated Anodyne CN1C[C@H](CSc2ccccn2)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 ZINC000029321754 EI Annotated Anodyne CCN(CC)CCn1nc2c3ccccc3sc3c(N)ccc1c32 ZINC000029322586 EI Annotated Bother CC1CCN(c2ccc(N)cc2C(=O)c2ccccc2Cl)CC1 ZINC000029325065 EI Annotated Anodyne C[C@@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C#N)c1 ZINC000029326136 EI Annotated Mild C[C@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C#N)c1 ZINC000029326141 EI Annotated Mild C[C@@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@H]1c1cccc(C#N)c1 ZINC000029326146 EI Annotated Mild C[C@H]1N=C(S)N(Nc2cccc(Cl)c2)[C@H]1c1cccc(C#N)c1 ZINC000029326151 EI Annotated Mild COc1ccc(-c2cn(Cc3ccccc3)c3ccc(=O)[nH]c23)cc1 ZINC000029327278 EI Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)C1 ZINC000029331152 EI Annotated Anodyne C[C@H]1CCCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)C1 ZINC000029331157 EI Annotated Anodyne CSc1ccc(NN2C(S)=N[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000029332009 EI Annotated Anodyne CSc1ccc(NN2C(S)=N[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000029332013 EI Annotated Anodyne CSc1ccc(NN2C(S)=N[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000029332017 EI Annotated Anodyne CSc1ccc(NN2C(S)=N[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000029332021 EI Annotated Anodyne COc1ccccc1CN[C@@H]1[C@@H]2CCN[C@@]1(c1ccccc1)CC=C2C ZINC000029344892 EI Annotated Anodyne COc1ccccc1CN[C@H]1[C@@H]2CCN[C@@]1(c1ccccc1)CC=C2C ZINC000029344897 EI Annotated Anodyne CC(=O)Oc1ccc2c(c1)C[C@@H](C)n1c-2cc2cc(OC(C)=O)ccc21 ZINC000029345735 EI Annotated Anodyne CC(=O)Oc1ccc2c(c1)C[C@H](C)n1c-2cc2cc(OC(C)=O)ccc21 ZINC000029345739 EI Annotated Anodyne CC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O ZINC000029346248 EI Annotated Mild CC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)CCC[C@@]1(C)O ZINC000029346251 EI Annotated Mild CC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)CCC[C@]1(C)O ZINC000029346255 EI Annotated Mild CC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)CCC[C@]1(C)O ZINC000029346257 EI Annotated Mild CCN(CC)CCCNc1ncc(C)c2c1c1cnccc1n2CC ZINC000029391184 EI Annotated Anodyne O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000029392022 EI Annotated Anodyne CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000029393204 EI Annotated Anodyne O=c1[nH]c2cc(Cl)c(Cl)cc2n1Cc1cc(Cl)ccc1O ZINC000029394807 EI Annotated Clean CCCC/C=N/CCCNc1ncc(C)c2c1c1cnccc1n2C ZINC000029395801 EI Annotated Mild Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1 ZINC000029395864 EI Annotated Anodyne O=c1[nH]c2cc(Cl)cc(Cl)c2n1Cc1cc(Cl)ccc1O ZINC000029396975 EI Annotated Clean CCC(CC)(C(=O)O)c1cc(C(=O)c2cccs2)ccc1OC ZINC000029400753 EI Annotated Anodyne C[C@]12CCC(=O)C=C1C=C[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000029402240 EI Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000029402256 EI Annotated Mild O=C1Oc2ccc(C(=O)c3cccs3)cc2/C1=C/c1ccccc1 ZINC000029403101 EI Annotated Anodyne O=c1c2cc(Cl)c(Cl)cc2sn1CCc1ccccn1 ZINC000029403104 EI Annotated Anodyne CC(C)N(CCS/C(=N\O)C(=O)c1ccc(Cl)cc1)C(C)C ZINC000029406822 EI Annotated Mild Cc1nc(C(C)C)n2c(Nc3cc[nH]n3)ncc(-c3ccccc3)c12 ZINC000029413351 EI Annotated Anodyne OCc1cc(Br)c(-c2ccc(O)cc2)c(-n2cccc2)c1 ZINC000029414248 EI Annotated Anodyne CCCc1nc(C)c2c(-c3ccccc3)cnc(Nc3cc[nH]n3)n12 ZINC000029416203 EI Annotated Anodyne CC[C@]1(O)CCN2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 ZINC000029463589 EI Annotated Anodyne CSc1cc(CO)cc(Br)c1-c1ccc(O)cc1 ZINC000029463825 EI Annotated Anodyne O=c1[nH]c(/C=C/c2ccccc2)nc2cc(N3CCCCC3)c(F)cc12 ZINC000029466297 EI Annotated Anodyne CCO[C@@H](c1ccc(N(C)C)cc1)c1ccc(C(C)C)cc(=O)c1O ZINC000029469400 EI Annotated Anodyne CCO[C@H](c1ccc(N(C)C)cc1)c1ccc(C(C)C)cc(=O)c1O ZINC000029469402 EI Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F ZINC000029470331 EI Annotated Anodyne CC(C)CC(CC(C)C)=NO[P@@](N)(=O)NCCC(Cl)Cl ZINC000029470615 EI Annotated Reactive CC(C)CC(CC(C)C)=NO[P@](N)(=O)NCCC(Cl)Cl ZINC000029470620 EI Annotated Reactive COc1cc2c(c(OC)c1OC)-c1ccc(SC)cc1[C@@H](O)C=C2 ZINC000029471879 EI Annotated Anodyne COCCN(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12 ZINC000029474433 EI Annotated Anodyne COc1ccc(Cn2ccc3cc(OC)c(OC)c4nccc2c34)cc1 ZINC000029476989 EI Annotated Anodyne C[C@H](C#N)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1 ZINC000029477019 EI Annotated Mild C[C@@H](C#N)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1 ZINC000029477023 EI Annotated Mild CC1(C)C=C(c2ccccn2)c2cc(Br)ccc2C1=O ZINC000029486068 EI Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c2c1CC=C(CCC=C(C)C)C2 ZINC000029545326 EI Annotated Anodyne C[C@@H]1CC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000029546432 EI Annotated Anodyne C[C@H]1CC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000029546434 EI Annotated Anodyne C[C@H]1CC[C@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000029546437 EI Annotated Anodyne F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl ZINC000029550598 EI Annotated Anodyne COc1ccc2c(c1)[C@@H]1CN(C)[C@H]2Cc2ccc(Br)cc21 ZINC000029561159 EI Annotated Anodyne CCCN(CCC)CCc1ccc(O)c(O)c1-c1ccc(O)cc1 ZINC000029563289 EI Annotated Clean in-vivo C=C[C@H](C)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000029564104 EI Annotated Mild C=C[C@@H](C)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000029564108 EI Annotated Mild COc1ccc(OC)c(C(=O)/C(Cl)=C/c2ccc(N(C)C)cc2)c1 ZINC000029567012 EI Annotated Mild COc1ccc(O)c(O)c1C1c2ccccc2CCc2ccccc21 ZINC000029571163 EI Annotated Clean Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1C=N2 ZINC000029571445 EI Annotated Anodyne Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H]1C=N2 ZINC000029571448 EI Annotated Anodyne CC(=O)N1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000029571638 EI Annotated Anodyne CC(=O)N(O)[C@H](C)c1ccc(OCc2c(C)cc(C)cc2C)cc1 ZINC000029572074 EI Annotated Anodyne CC(=O)N(O)[C@@H](C)c1ccc(OCc2c(C)cc(C)cc2C)cc1 ZINC000029572076 EI Annotated Anodyne CN1[C@H]2CC[C@@H]1/C(=C/c1ccsc1)C(=O)/C2=C/c1ccsc1 ZINC000029749644 EI Annotated Mild C/C(=C/C(=O)O[C@H](C)c1ccccc1)O[P@]1(=O)O[C@@H](C)[C@@H](C)O1 ZINC000299807058 EI Annotated Anodyne C/C(=C/C(=O)O[C@@H](C)c1ccccc1)O[P@]1(=O)O[C@@H](C)[C@@H](C)O1 ZINC000299807059 EI Annotated Anodyne C/C(=C/C(=O)O[C@H](C)c1ccccc1)OP1(=O)O[C@@H](C)[C@H](C)O1 ZINC000299807060 EI Annotated Anodyne Fc1ccccc1C=NN=c1cc[nH]c2ccc(C(F)(F)F)cc12 ZINC000299807394 EI Annotated Mild COc1ccc2[nH]c(C)cc(=NN=Cc3ccccc3Cl)c2c1 ZINC000299807409 EI Annotated Mild Cc1cc(=NN=Cc2ccccc2)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000299807424 EI Annotated Mild COc1ccc2[nH]c(C)cc(=NN=Cc3cccc(Cl)c3)c2c1 ZINC000299807425 EI Annotated Mild CCOc1ccc2[nH]c(C)cc(=NN=Cc3ccc(Cl)cc3)c2c1 ZINC000299807429 EI Annotated Mild COc1ccc(C=NN=c2cc[nH]c3ccccc23)c2ccccc12 ZINC000299807619 EI Annotated Mild CCOc1ccc2[nH]c(C)cc(=NN=Cc3ccccc3Cl)c2c1 ZINC000299807708 EI Annotated Mild Fc1cccc(C=NN=c2cc[nH]c3ccc(C(F)(F)F)cc23)c1 ZINC000299810658 EI Annotated Mild COc1ccc2c(=NN=Cc3ccccc3Cl)cc(C)[nH]c2c1 ZINC000299810739 EI Annotated Mild CCOc1ccc2c(=NN=Cc3cccc(Cl)c3)cc(C)[nH]c2c1 ZINC000299810923 EI Annotated Mild CCCCCCCCCN1CCN2CCc3cc(O)c(O)cc3[C@H]2C1 ZINC000299811183 EI Annotated Mild CC[C@]12CCC[N@@+]3([O-])CCc4c(n(c5ccccc45)[C@H](OC)C1)[C@H]23 ZINC000299811344 EI Annotated Bother CCn1c(O)c(N=NC(=O)CNc2cccc(C)c2)c2ccccc21 ZINC000299813098 EI Annotated Clean COc1ccc(NC(=S)N=Nc2c(O)[nH]c3ccccc23)cc1 ZINC000299813165 EI Annotated Clean Cc1occc1C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000299813184 EI Annotated Clean Cc1nn(-c2ccccc2)c(S)c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000299813294 EI Annotated Mild O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1 ZINC000299813325 EI Annotated Clean Cn1c(O)c(N=NC(=O)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000299813593 EI Annotated Clean C[C@@H]1[C@H](c2ccccc2)O[P@@](=O)(O[C@H](C#N)c2ccccc2)N1C ZINC000299814044 EI Annotated Mild C[C@@H]1[C@H](c2ccccc2)O[P@](=O)(O[C@H](C#N)c2ccccc2)N1C ZINC000299814045 EI Annotated Mild CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@@H]12 ZINC000299815735 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 ZINC000299815736 EI Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@@H]12 ZINC000299815737 EI Annotated Anodyne CC1(C)[C@H]2C[C@@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 ZINC000299816022 EI Annotated Anodyne CC1(C)[C@@H]2C[C@@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 ZINC000299816023 EI Annotated Anodyne Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]21 ZINC000299816055 EI Annotated Reactive Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 ZINC000299816056 EI Annotated Reactive Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@@H]1C(=O)OC(=O)[C@H]21 ZINC000299816057 EI Annotated Reactive Cn1c2c(c3ccccc31)[C@@H]1CCCCCC[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 ZINC000299816058 EI Annotated Reactive CC(C)[Si](O[C@@]12CC[C@@H](C[C@H]1O)C[C@@H]2CO)(C(C)C)C(C)C ZINC000299816424 EI Annotated Reactive CC(C)[Si](O[C@@]12CC[C@@H](C[C@@H]1O)C[C@H]2CO)(C(C)C)C(C)C ZINC000299816425 EI Annotated Reactive CC(C)[Si](O[C@]12CC[C@H](C[C@H]1CO)C[C@H]2O)(C(C)C)C(C)C ZINC000299816426 EI Annotated Reactive O=C1OCC(c2ccc(OC(F)(F)F)cc2)=C1c1cccc(F)c1 ZINC000299818505 EI Annotated Anodyne COc1cc2nc(C)c(-c3ccc(C=O)cc3)c(O)c2cc1Cl ZINC000299819270 EI Annotated Anodyne COC/C=C/c1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 ZINC000299819325 EI Annotated Anodyne CN(C)[C@@H]1CC[C@@H](Nc2ncnc3sc4ccccc4c23)CC1 ZINC000299819417 EI Annotated Anodyne CN1C(=O)CC[C@H]2C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCO1 ZINC000299819496 EI Annotated Anodyne CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000299819532 EI Annotated Anodyne CCCN(CCC)CCCOc1cc(C)nc(-c2ccccc2)n1 ZINC000299819767 EI Annotated Anodyne CC(=O)NNc1ccccc1Sc1ccccc1Br ZINC000299819938 EI Annotated Reactive CC(C)CC(=O)C[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 ZINC000299820216 EI Annotated Anodyne CC(C)CC(=O)C[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 ZINC000299820220 EI Annotated Anodyne Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)C)cc1 ZINC000299820395 EI Annotated Anodyne CC1=C[C@H](Nc2ccccc2)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O ZINC000299820441 EI Annotated Anodyne CC1=C[C@H](Nc2ccccc2)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O ZINC000299820442 EI Annotated Anodyne CC1=C[C@@H](Nc2ccccc2)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O ZINC000299820443 EI Annotated Anodyne CC1=C[C@@H](Nc2ccccc2)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O ZINC000299820446 EI Annotated Anodyne COc1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)OC2)cc1 ZINC000299820657 EI Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)/C(=C/c3ccsc3)[C@@H]2CC1 ZINC000299820781 EI Annotated Anodyne C/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)C1CCCCC1 ZINC000299820843 EI Annotated Mild COc1cc2nc(C)c(-c3ccc(C(=O)O)cc3)c(O)c2cc1Cl ZINC000299821052 EI Annotated Anodyne CN1C(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]21 ZINC000299821162 EI Annotated Anodyne COc1cc2nc(C)c(-c3ccccc3CO)c(O)c2cc1Cl ZINC000299821397 EI Annotated Anodyne Fc1cccc(F)c1CSc1nnc2c(n1)[nH]c1ccccc12 ZINC000299821986 EI Annotated Anodyne O=C1CS/C(=N/N=C2CCCCCCC2)N1Cc1ccccc1 ZINC000299822266 EI Annotated Mild COc1cc2nc(C)c(-c3cccc(CO)c3)c(O)c2cc1Cl ZINC000299822878 EI Annotated Anodyne O[C@@H]1Cc2cc(OC(F)(F)F)ccc2N[C@H](c2cccs2)C1 ZINC000299823210 EI Annotated Anodyne COC(=O)Nc1nc2cc(Sc3c[nH]c4ccccc34)ccc2[nH]1 ZINC000299824121 EI Annotated Anodyne Cc1nn(-c2ccc(C(F)(F)F)cc2)c2c1c(=O)oc1ccccc12 ZINC000299824719 EI Annotated Anodyne C/C(=N\N=C(/N)C[C@@H](O)c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299824857 EI Annotated Mild COc1cc2cc(-c3cccc4ccccc34)c(=O)n(O)c2cc1OC ZINC000299825139 EI Annotated Anodyne C/C(=N\N=C(/N)C[C@H](O)c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299825345 EI Annotated Mild CCCCCC/C(C)=N\N=C1\SCC(=O)N1Cc1ccccc1 ZINC000299825547 EI Annotated Mild COc1cc2nc(C)c(-c3ccc(CO)cc3)c(O)c2cc1Cl ZINC000299826038 EI Annotated Anodyne COc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000299827302 EI Annotated Anodyne Cc1nn(-c2ccccc2C(F)(F)F)c2c1c(=O)oc1ccccc12 ZINC000299827685 EI Annotated Anodyne CCCCSc1nc2cc3c(cc2o1)C(=O)c1ccccc1C3=O ZINC000299827829 EI Annotated Clean COc1ccc([C@H]2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1 ZINC000299828171 EI Annotated Anodyne COc1ccc([C@@H]2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1 ZINC000299828172 EI Annotated Anodyne Nc1c(/N=C/c2ccc([N+](=O)[O-])cc2)cc2cccnc2c1Cl ZINC000299828192 EI Annotated Mild COc1cc2nc(C)c(-c3ccc4nonc4c3)c(O)c2cc1Cl ZINC000299828688 EI Annotated Anodyne c1cnc2c(c1)nc(-c1ccc(-c3nnco3)cc1)n2C1CCCC1 ZINC000299828727 EI Annotated Anodyne O=C1NCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000299828814 EI Annotated Anodyne O=C(Nc1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21 ZINC000299829537 EI Annotated Anodyne Cc1cc2c3ccccc3cc(CCc3nc4ccccc4n3C)n2n1 ZINC000299829876 EI Annotated Anodyne COc1cc2nc(C)c(-c3ccc(N(C)C)nc3)c(O)c2cc1Cl ZINC000299830843 EI Annotated Anodyne c1ccc(Cn2nccc2-c2nc3cccnc3n2C2CCCC2)cc1 ZINC000299830998 EI Annotated Anodyne Cc1cc(OCCCN2C[C@@H](C)C[C@@H](C)C2)nc(-c2ccccc2)n1 ZINC000299831182 EI Annotated Anodyne Cc1cc(OCCCN2C[C@H](C)C[C@@H](C)C2)nc(-c2ccccc2)n1 ZINC000299831185 EI Annotated Anodyne Cc1cc(OCCCN2C[C@@H](C)C[C@H](C)C2)nc(-c2ccccc2)n1 ZINC000299831188 EI Annotated Anodyne O=C1/C(=C/c2cccc(F)c2)CSC/C1=C\c1ccc(O)c(O)c1 ZINC000299831634 EI Annotated Mild Cc1ccsc1[C@@H]1C[C@H](O)Cc2cc(OC(F)(F)F)ccc2N1 ZINC000299831664 EI Annotated Anodyne Cc1cccc(Cn2cc(-c3ccc(-c4cccnc4)cc3)cn2)n1 ZINC000299832129 EI Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](C(=O)O)C3 ZINC000299832498 EI Annotated Anodyne C1=C2CCCN(CC3CCCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 ZINC000299832759 EI Annotated Anodyne O=C(c1cc2ccc(F)cc2[nH]1)N(Cc1ccco1)Cc1ccco1 ZINC000299833073 EI Annotated Anodyne CCCCCCCCCCn1cnc2c(-n3cccn3)ncnc21 ZINC000299833109 EI Annotated Mild Cc1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1 ZINC000299833157 EI Annotated Clean FC(F)(F)Oc1ccc2c(c1)C[C@@H]1C[C@@H](c3cccs3)N2O1 ZINC000299833470 EI Annotated Anodyne CCCCCCCCCCn1cnc2c(-n3cnc(C)c3)ncnc21 ZINC000299833556 EI Annotated Mild CCCCCCCCCCn1cnc2c(-n3ccnc3)ncnc21 ZINC000299833564 EI Annotated Mild Cc1ccc([C@@H]2C[C@H](O)Cc3cc(OC(F)(F)F)ccc3N2)s1 ZINC000299833601 EI Annotated Anodyne CCOC(=O)C(=O)/C=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000299833993 EI Annotated Mild O=C1/C(=C/c2cccc(O)c2)CSC/C1=C\c1cccc(F)c1 ZINC000299834007 EI Annotated Mild CCOC(=O)c1cc2c(OC)c3cccc(OC)c3c(OC)c2s1 ZINC000299834063 EI Annotated Anodyne CCOC(=O)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000299834129 EI Annotated Anodyne c1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 ZINC000299834855 EI Annotated Anodyne c1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 ZINC000299834857 EI Annotated Anodyne N#CCc1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1 ZINC000299835008 EI Annotated Mild N#CCc1ccc(Nc2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)cc1 ZINC000299835009 EI Annotated Mild O=C1OCC(c2ccccc2F)=C1c1ccc(Br)cc1 ZINC000299835222 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C=C4OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]12 ZINC000299835677 EI Annotated Anodyne O=C1C=CC[C@@H](/C=C/c2ccccc2)N1C(=O)/C=C/c1ccccc1 ZINC000299835781 EI Annotated Anodyne O=C1C=CC[C@H](/C=C/c2ccccc2)N1C(=O)/C=C/c1ccccc1 ZINC000299835782 EI Annotated Anodyne CN(C)c1nc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c12 ZINC000299835924 EI Annotated Anodyne c1ccc(CN[C@H]2CCCn3nc(OCc4ccccc4)cc32)cc1 ZINC000299835946 EI Annotated Anodyne c1ccc(CN[C@@H]2CCCn3nc(OCc4ccccc4)cc32)cc1 ZINC000299835947 EI Annotated Anodyne Nc1nc(-c2ccccc2)cn1/N=C/c1cc2ccccc2nc1Cl ZINC000299836239 EI Annotated Mild C[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1 ZINC000299837282 EI Annotated Anodyne C[C@H]1CCCCN(C)C(=O)CCC[C@@H](C)C[C@H](C(C)(C)C)OC1=O ZINC000299837286 EI Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCCO ZINC000299837291 EI Annotated Anodyne CCCCCCCC[C@H]1CCCc2c1c(=O)c(OC)c(C)n2OC ZINC000299837989 EI Annotated Mild CCCC#C[C@@]1(C(F)(F)F)OC(=O)Nc2c(O)cc(Cl)cc21 ZINC000299838540 EI Annotated Mild CCCC#C[C@]1(C(F)(F)F)OC(=O)Nc2c(O)cc(Cl)cc21 ZINC000299838541 EI Annotated Mild O=C1OCC(c2ccc(F)cc2)=C1c1ccc(Br)cc1 ZINC000299838802 EI Annotated Anodyne COc1c(-c2cc(Br)ccc2F)oc2ccccc2c1=O ZINC000299838870 EI Annotated Anodyne O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Cl)cc21 ZINC000299839314 EI Annotated Mild O=C1CCCC2=C1[C@H](c1c[nH]c3ccccc13)c1cccc(O)c1O2 ZINC000299839504 EI Annotated Mild O=C1CCCC2=C1[C@@H](c1c[nH]c3ccccc13)c1cccc(O)c1O2 ZINC000299839506 EI Annotated Mild CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(C=O)cc4)coc23)O1 ZINC000299840037 EI Annotated Anodyne O=C1CS[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1O ZINC000299840039 EI Annotated Anodyne O=C1CS[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1O ZINC000299840040 EI Annotated Anodyne COc1cc(NCCCN)c2nccc(C)c2c1Oc1ccccc1 ZINC000299840254 EI Annotated Anodyne Fc1ccc(CNc2nc(N3CCCCC3)nc3sccc23)cc1 ZINC000299840600 EI Annotated Anodyne CC1(C)C=Cc2c(ccc3c(=O)c(-c4cccc(C=O)c4)coc23)O1 ZINC000299840719 EI Annotated Anodyne COc1ccc(/C=C2\S[C@@H](c3ccc(C)cc3)N(C)C2=O)cc1 ZINC000299841013 EI Annotated Anodyne COc1ccc(/C=C2\S[C@H](c3ccc(C)cc3)N(C)C2=O)cc1 ZINC000299841014 EI Annotated Anodyne COCOc1ccc(C(=O)/C=C/C2=CC[C@H]3C[C@H]2C3(C)C)c(O)c1 ZINC000299841218 EI Annotated Mild O=C1CCCC2=C1[C@H](c1c[nH]c3ccccc13)c1ccc(O)cc1O2 ZINC000299841253 EI Annotated Mild O=C1CCCC2=C1[C@@H](c1c[nH]c3ccccc13)c1ccc(O)cc1O2 ZINC000299841254 EI Annotated Mild CCCOc1ccccc1CN[C@H]1CCC[C@@H]1Cc1cc(C)no1 ZINC000299842927 EI Annotated Anodyne C=C(C(=O)OC)[C@H]1CC/C(C)=C/CC[C@@](C)(O)C=CC[C@@]2(C)O[C@@H]2C1 ZINC000299844285 EI Annotated Mild COC(=O)c1cc2c3ccccc3[nH]c2c2cn(C3CCCCC3)c[n+]12 ZINC000299844614 EI Annotated Bother O=[N+]([O-])c1ccc(C[n+]2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000299844653 EI Annotated Bother CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000299845023 EI Annotated Bother CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000299845024 EI Annotated Bother CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1cccc(OC)c1 ZINC000299845069 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1cccc(OC)c1 ZINC000299845070 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1 ZINC000299845097 EI Annotated Mild CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1 ZINC000299845098 EI Annotated Mild CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccc(OC)cc1 ZINC000299845191 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccc(OC)cc1 ZINC000299845192 EI Annotated Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 ZINC000299845740 EI Annotated Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 ZINC000299845741 EI Annotated Anodyne C[C@H](COc1cc(F)ccc1Cl)NC(=O)[C@]1(C)C[C@](C)(Cl)C1 ZINC000299846032 EI Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@H](C(C)(C)C)N(C(C)(C)C)[C@H]1C(C)(C)C ZINC000299846329 EI Annotated Anodyne CC(C)(C)[C@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299846726 EI Annotated Mild CC(C)(C)[C@@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299846728 EI Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1cccc(F)c1 ZINC000299847740 EI Annotated Mild CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@H](C(C)C)[C@H]1c1ccco1 ZINC000299847942 EI Annotated Anodyne CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@@H](C(C)C)[C@H]1c1ccco1 ZINC000299847943 EI Annotated Anodyne C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 ZINC000299847959 EI Annotated Reactive C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccccc1F ZINC000299847962 EI Annotated Mild CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@H]1c1ccccc1 ZINC000299848664 EI Annotated Anodyne C[C@]12CC[C@H]3C(=C1CC[C@@]21CCC(=O)O1)C=CC1=CC(=O)CC[C@@]13C ZINC000299848867 EI Annotated Mild CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000299849222 EI Annotated Anodyne CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 ZINC000299849223 EI Annotated Anodyne CC(=O)Nc1nc2c(s1)C1(CCCC1)Nc1ccccc1S2 ZINC000299849824 EI Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000299852325 EI Annotated Mild Cc1ccc(O)c([C@H](CCN(C(C)C)[C@@H](C)CO)c2ccccc2)c1 ZINC000299853771 EI Annotated Anodyne Cc1ccc(O)c([C@H](CCN(C(C)C)[C@H](C)CO)c2ccccc2)c1 ZINC000299853772 EI Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCC4)CNC[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299854240 EI Annotated Anodyne CC(C)N1C(=O)c2ccc(-c3cc(-c4ccc(Cl)nc4)no3)cc21 ZINC000299854704 EI Annotated Anodyne CCCCNc1nc2cc(Br)ccc2nc1SC ZINC000299854755 EI Annotated Anodyne CCCc1cc([C@@H](O)[C@H]2C[C@H]3CCN2C[C@@H]3CC)c2ccccc2n1 ZINC000299855045 EI Annotated Anodyne C(=NNc1nccc2sc(-c3cccnc3)cc12)c1ccncc1 ZINC000299855892 EI Annotated Mild Cc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1 ZINC000299856176 EI Annotated Anodyne Cc1cc(O)c(C2=NN[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl ZINC000299856178 EI Annotated Clean Cc1cc(O)c(C2=NN[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl ZINC000299856180 EI Annotated Clean Cn1c(SCCC(F)=C(F)F)nc(-c2ccccc2)cc1=O ZINC000299856562 EI Annotated Anodyne O=C(O)c1cc(-c2ccc(OC3CCCCC3)c(Cl)c2)ncn1 ZINC000299856830 EI Annotated Anodyne COc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cc1 ZINC000299857228 EI Annotated Anodyne C=CCN1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1 ZINC000299857596 EI Annotated Mild COc1ccc(-c2cc(-c3ccc4c(c3)N(C(C)C)C4=O)on2)cc1 ZINC000299858341 EI Annotated Anodyne C(=NNc1nccc2sc(-c3cccnc3)cc12)c1cccnc1 ZINC000299858470 EI Annotated Mild O=S1(=O)C=Cc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000299858622 EI Annotated Anodyne CN(CCCn1c(=O)sc2ccc(Cl)cc21)Cc1ccccc1 ZINC000299858926 EI Annotated Anodyne COc1cc2c(c(OC)c1O)[C@@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@]31C ZINC000299859001 EI Annotated Anodyne COc1cc2c(c(OC)c1O)[C@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@@]13C ZINC000299859002 EI Annotated Anodyne COc1ccc(C(=O)/C(=C/C2CCCCC2)CCOC(C)=O)cc1 ZINC000299859021 EI Annotated Mild O=S1(=O)C=Cc2cc(-c3cccc(C(F)(F)F)c3)ccc2O1 ZINC000299859253 EI Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@]31C ZINC000299859327 EI Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@@]13C ZINC000299859330 EI Annotated Anodyne Cc1ccc(CN(C)C2CCN(Cc3cnc(Cl)s3)CC2)cc1 ZINC000299859524 EI Annotated Anodyne COc1cc(OC)c2c(c1OC)[C@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@@]13C ZINC000299859942 EI Annotated Anodyne COc1cc(OC)c2c(c1OC)[C@@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@]31C ZINC000299859945 EI Annotated Anodyne CC1(C)C[C@H](Cl)CN(CCCCN2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299860671 EI Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCCN2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299860673 EI Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCCN2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299860674 EI Annotated Reactive O=c1c2c(oc3ccc(F)cc13)-c1ccccc1OCCCCO2 ZINC000299860798 EI Annotated Anodyne O=[N+]([O-])c1ccc(Cc2ccncc2)c(OCCc2ccccc2)c1 ZINC000299860977 EI Annotated Bother COc1ccccc1-c1cc2c(NCc3ccccn3)ncnc2s1 ZINC000299861369 EI Annotated Anodyne Cc1nn(-c2ncc(C3CC3)cn2)c(OC(C)C)c1Cc1ccccc1 ZINC000299861758 EI Annotated Anodyne CCCNc1nccc(NCc2sc(-c3ccccc3)nc2C)n1 ZINC000299861902 EI Annotated Anodyne C=C(C(=O)c1ccc(OC)cc1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000299861952 EI Annotated Mild C=C(C(=O)c1ccc(OC)cc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000299861954 EI Annotated Mild Cc1ccc2c(c1)-c1nc3cc(Br)ccc3n1CCO2 ZINC000299862151 EI Annotated Anodyne FC(F)(F)c1cc(Nc2ccnc3ccnn23)c2ncccc2c1 ZINC000299862697 EI Annotated Anodyne COc1ccc(C(=O)/C(=C/c2ccccc2F)CCOC(C)=O)cc1 ZINC000299862897 EI Annotated Mild CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(OC)ccc3[nH]2)cc1 ZINC000299863125 EI Annotated Reactive C[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccn1 ZINC000299863179 EI Annotated Anodyne Oc1nc2c(n3ccnc13)Cc1c(-c3cccc(Cl)c3)cccc1-2 ZINC000299863927 EI Annotated Anodyne N#Cc1cc2c(Br)c(-c3ccccc3)n(O)c2cc1C#N ZINC000299864692 EI Annotated Mild Cc1ccc2c(c1)nc1n2CCOc2ccc(Br)cc2-1 ZINC000299864788 EI Annotated Anodyne O=[N+]([O-])c1cccc2c(-c3ccc(Br)cc3)cc(O)nc12 ZINC000299865884 EI Annotated Bother CCOc1nn(-c2ncc(CC)cn2)c(C)c1Sc1ccccc1 ZINC000299865900 EI Annotated Anodyne Cc1ccc2nc(-c3cc4ccccc4o3)nc(NCCN(C)C)c2c1 ZINC000299866395 EI Annotated Anodyne Cc1nn2c(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)nc2s1 ZINC000299868288 EI Annotated Anodyne CCc1c(C(=O)NCCc2cccc(O)c2)[nH]c2ccc(Cl)cc12 ZINC000299869198 EI Annotated Anodyne CCNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1 ZINC000299869563 EI Annotated Anodyne C[C@]1(CC#N)CC[C@H]2[C@@H](CCC3=C(O)C(=O)CC[C@@]32C)[C@@H]1CC#N ZINC000299870707 EI Annotated Mild CC(C)(C)C1CCC(c2cc(C(=O)NN)nc3ccccc23)CC1 ZINC000299870711 EI Annotated Reactive CCc1cnc(-n2nc(CC(C)C)c(Cc3ccccc3)c2C)nc1 ZINC000299871024 EI Annotated Anodyne CC1(C)C[C@H](Cl)CN(CCCN2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299871170 EI Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCN2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299871171 EI Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCN2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299871172 EI Annotated Reactive CCn1c(NC(C)C)nc2c(-c3sc(C)nc3C)csc2c1=O ZINC000299871267 EI Annotated Anodyne O=c1c2c(oc3ccc(Cl)cc13)-c1ccccc1OCCCO2 ZINC000299871879 EI Annotated Anodyne O=C1C[C@@H](c2ccco2)CC(O)=C1C=Nc1cc(Cl)ccc1O ZINC000299872402 EI Annotated Mild O=C1C[C@H](c2ccco2)CC(O)=C1C=Nc1cc(Cl)ccc1O ZINC000299872403 EI Annotated Mild Oc1c(C=Nc2ccc(Cl)cc2)cnn1-c1cccc(Cl)n1 ZINC000299872426 EI Annotated Mild Cc1cc(O)nc(N=NC(=NNc2ccccc2C)c2ccccc2)n1 ZINC000299872454 EI Annotated Mild CC(C)c1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O ZINC000299876889 EI Annotated Anodyne CC(C)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O ZINC000299877848 EI Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3nc(O)c([C@H](C)CC)nc3n2)C1 ZINC000299879347 EI Annotated Anodyne CCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O ZINC000299884927 EI Annotated Anodyne CCCCc1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2nc1O ZINC000299885903 EI Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2nc1O ZINC000299887503 EI Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O ZINC000299887504 EI Annotated Anodyne COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl ZINC000003030889 EI Annotated Anodyne COP(=O)(OC)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000003092822 EI Annotated Clean COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000003092823 EI Annotated Clean O=C(CN(Cc1ccccc1)C1=NCCS1)c1ccc(Cl)cc1 ZINC000003166758 EI Annotated Anodyne N#CC(/N=C/c1cccs1)=C(\C#N)NCc1c(F)cccc1Cl ZINC000003185932 EI Annotated Reactive CCCN(CCC)c1nc(C)cc([C@@H](C#N)c2nc3ccccc3o2)n1 ZINC000003189977 EI Annotated Mild CCCN(CCC)c1nc(C)cc([C@H](C#N)c2nc3ccccc3o2)n1 ZINC000003189979 EI Annotated Mild Cc1cc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)n(CCC#N)n1 ZINC000003195232 EI Annotated Mild Fc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1 ZINC000003197418 EI Annotated Mild CN1CCN(/N=C/c2c3ccccc3c(Cl)c3ccccc23)CC1 ZINC000003225797 EI Annotated Mild CNC(=S)N/N=C/c1c2ccccc2c(Cl)c2ccccc12 ZINC000003228892 EI Annotated Mild CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2o1 ZINC000003231574 EI Annotated Anodyne COC(=O)c1ccc(CO/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000003321263 EI Annotated Mild COc1ccc(C(C)=O)cc1CO/N=C/c1ccccc1OC(F)F ZINC000003330800 EI Annotated Mild CCc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2ccccc12 ZINC000003378275 EI Annotated Clean Cc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1Br ZINC000308434653 EI Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=CCOC2=O)C/C=C\C=C/1C(=O)O ZINC000031168505 EI Annotated Mild C=C1CC[C@H](C)[C@@](C)(CCC2=CCOC2=O)C/C=C\C=C/1C(=O)O ZINC000031168513 EI Annotated Mild FC(F)(F)c1cccc(-c2nc3c(Br)cncc3[nH]2)c1 ZINC000313517723 EI Annotated Anodyne CN1CCC[C@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000031829856 EI Annotated Anodyne CCCCN(C)CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000031847958 EI Annotated Bother C[C@@H]1CCCCN1Cc1nc2ccccc2c2nc3ccccc3n12 ZINC000031848143 EI Annotated Bother C[C@H]1CCCCN1Cc1nc2ccccc2c2nc3ccccc3n12 ZINC000031848145 EI Annotated Bother C[C@@H]1C[C@]2(C)/C(=N/CCN)Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000031853840 EI Annotated Mild C[C@H]1C[C@]2(C)/C(=N/CCN)Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000031853842 EI Annotated Mild C=C(C(=O)O)[C@@H]1C[C@@H]2O[C@H]1C/C(C)=C\CC/C(C)=C/CC[C@@]2(C)O ZINC000031898230 EI Annotated Mild C=C(C(=O)O)[C@@H]1C[C@@H]2O[C@H]1C/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O ZINC000031898236 EI Annotated Mild C=C(C(=O)OC)[C@H]1CC/C(C)=C\CC[C@@](C)(O)/C=C\C[C@@]2(C)O[C@@H]2C1 ZINC000031899748 EI Annotated Mild Brc1ccccc1/C=C\C1(c2ccccc2)OCCO1 ZINC000031900435 EI Annotated Anodyne CC(C)(C)N(Cc1ccccc1)C(=O)/C=C\[S@@](=O)c1ccccc1 ZINC000031904812 EI Annotated Anodyne CC(C)(C)N(Cc1ccccc1)C(=O)/C=C\[S@](=O)c1ccccc1 ZINC000031904813 EI Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)O[P@@](=O)(O[C@@H](C#N)c2ccccc2)N1C ZINC000031905408 EI Annotated Mild C[C@H]1[C@@H](c2ccccc2)O[P@@](=O)(O[C@@H](C#N)c2ccccc2)N1C ZINC000031905409 EI Annotated Mild C[C@@H]1[C@H](c2ccccc2)O[P@@](=O)(O[C@@H](C#N)c2ccccc2)N1C ZINC000031905410 EI Annotated Mild C[C@H]1[C@H](c2ccccc2)O[P@@](=O)(O[C@@H](C#N)c2ccccc2)N1C ZINC000031905411 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](C)(O)C3 ZINC000032146068 EI Annotated Anodyne CC1(C)OC(=O)C(=Cc2c3ccccc3cc3ccccc23)C(=O)O1 ZINC000032235470 EI Annotated Clean Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1C ZINC000032256629 EI Annotated Anodyne COc1c(O)cc2c3c(ccc(-c4ccccc4)c13)C(=O)O[C@H]2OC ZINC000032297199 EI Annotated Anodyne O=C(Nc1ccc(C(=O)O)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000321131191 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000321441488 EI Annotated Anodyne CC(C)(C)OC(=O)C(C)(C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000323709826 EI Annotated Mild FC(F)(F)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000323907354 EI Annotated Anodyne Cc1ccc(/C=N\NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000033284851 EI Annotated Reactive Cc1ccc(Cn2cc(/C=C3\NC(=O)N=C3O)c3ccccc32)cc1 ZINC000033285633 EI Annotated Anodyne Cc1[nH]c(=O)c(C(=O)/C=C\c2ccccc2Cl)c2c1CCCC2 ZINC000033394535 EI Annotated Mild Cc1[nH]c(=O)c(C(=O)/C=C\c2ccc(Cl)cc2)c2c1CCCC2 ZINC000033394537 EI Annotated Mild Cc1cc(/N=C/C=C2/N(C)c3ccccc3C2(C)C)n(CCC#N)n1 ZINC000033402860 EI Annotated Mild COc1ccc(/C=C(C#N)\C(O)=N\c2cccc3ncccc23)cc1 ZINC000033403358 EI Annotated Reactive CCc1c(Sc2ccccc2)n(COC(C)C)c(=S)[nH]c1=O ZINC000033488240 EI Annotated Anodyne CC(C)C(=O)CC[C@H]1C(C=O)=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C ZINC000033495866 EI Annotated Reactive O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)c1 ZINC000033547670 EI Annotated Mild CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000033641127 EI Annotated Bother Cc1cc(C)nc(N/N=C2/C=C(N3CCCCC3)CC(C)(C)C2)n1 ZINC000033715720 EI Annotated Mild O=c1nc(/C=C\c2ccc(Br)cc2)oc2ccccc12 ZINC000033750711 EI Annotated Anodyne CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000033756729 EI Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000033756730 EI Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000033756731 EI Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000033756732 EI Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C ZINC000033831726 EI Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C ZINC000033831727 EI Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@H](C)[C@@]12C ZINC000033832114 EI Annotated Anodyne C/C=C\C[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000033833379 EI Annotated Anodyne in-vitro biogenic CCO/C=C\[C@@]12CCC[C@H]1NC(c1ccccc1)(c1ccccc1)O2 ZINC000033849331 EI Annotated Anodyne CCCCNC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N ZINC000033855456 EI Annotated Mild C=C1CC[C@H]2[C@]3(C)CCC[C@]24[C@H]1C[C@@H](c1ccoc1)O[C@@H]4OC3=O ZINC000033903738 EI Annotated Mild C/C(=C\CO)CC/C=C(\C)CNc1c(F)c(F)c(F)c(F)c1F ZINC000033917567 EI Annotated Anodyne COc1ccc2[nH]c(C)c/c(=N/N=C\c3ccc(Cl)cc3)c2c1 ZINC000033932526 EI Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1ccccc12 ZINC000033943511 EI Annotated Anodyne in-vitro O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(N2CCCCC2)cc1 ZINC000033956889 EI Annotated Mild CCOc1cc(/C(=C\C#N)c2ccc(OC)c(OC)c2)ccc1OC ZINC000033968978 EI Annotated Reactive CC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12 ZINC000033998591 EI Annotated Anodyne investigational CCc1nn(CCO)c(CC)c1Oc1cc(Cl)ccc1Cl ZINC000034005540 EI Annotated Anodyne CCc1nn(CCO)c(CC)c1Oc1c(Cl)cccc1Cl ZINC000034020500 EI Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccs3)N2)cc1 ZINC000034021106 EI Annotated Anodyne Cc1nn(CCO)c(C(C)C)c1Cc1cc(Cl)cc(Cl)c1 ZINC000034028528 EI Annotated Anodyne COCc1cc(Nc2cccc(Cl)c2)nc(-c2ccccn2)n1 ZINC000034042113 EI Annotated Anodyne Cc1c(Cc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO ZINC000034042123 EI Annotated Anodyne CCc1nn(CCO)c(CC)c1Oc1cccc(Cl)c1Cl ZINC000034042249 EI Annotated Anodyne CCc1nn(CCO)c(CC)c1Oc1cc(Cl)cc(Cl)c1 ZINC000034053266 EI Annotated Anodyne Fc1cc(F)cc(CNc2cc(Oc3ccccc3F)ncn2)c1 ZINC000034053386 EI Annotated Anodyne O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1O ZINC000034053520 EI Annotated Clean Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 ZINC000034053954 EI Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000034059291 EI Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000034059293 EI Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C(=O)O)CC/C=C(\C)CC[C@@H]12 ZINC000034073424 EI Annotated Mild in-vitro COc1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1OC ZINC000034079699 EI Annotated Anodyne COc1ccc(-c2c(-c3ccccc3)nc3n2CCS3)cc1OC ZINC000034079700 EI Annotated Anodyne C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl ZINC000034161680 EI Annotated Reactive CO[C@@]1(c2ccccc2)O[C@H]2OCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000034172210 EI Annotated Anodyne COC(=O)[C@H]1CO[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@]3(C)O[C@@H]3C[C@H]21 ZINC000034172661 EI Annotated Anodyne COC(=O)[C@H]1CO[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@H]21 ZINC000034172663 EI Annotated Anodyne CCS(=O)(=O)Nc1cccc(OCc2cc3ccccc3s2)c1 ZINC000034186255 EI Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](Cl)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000034215338 EI Annotated Unstable O[C@]1(c2ccccc2)C2=NCC3(CCCCC3)CN2c2ccccc21 ZINC000034249464 EI Annotated Anodyne O[C@@]1(c2ccccc2)C2=NCC3(CCCCC3)CN2c2ccccc21 ZINC000034249466 EI Annotated Anodyne O[C@]1(c2ccccc2)C2=NCC3(CCCCCC3)CN2c2ccccc21 ZINC000034249467 EI Annotated Anodyne O[C@@]1(c2ccccc2)C2=NCC3(CCCCCC3)CN2c2ccccc21 ZINC000034249469 EI Annotated Anodyne CC1(C)C=CC(=O)[C@@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)O1 ZINC000034268476 EI Annotated Reactive COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CCC(C)C ZINC000034280699 EI Annotated Anodyne CCOC(=O)/C(=C/CC(=O)c1ccccc1)Sc1ccccc1 ZINC000034285109 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC(=O)C(C(C)C)=CC3=CC[C@@H]12 ZINC000034285806 EI Annotated Mild CNCCc1c2ncsc2c2nccc3c4ccccc4[nH]c1c32 ZINC000034294453 EI Annotated Bother Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000034317402 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]23C1=CC(=O)c1ccccc13 ZINC000034403976 EI Annotated Mild S=c1sc(Nc2ccc(Br)cc2)nc2[nH]ncc12 ZINC000034433037 EI Annotated Anodyne COc1ccc([C@@H]2O[C@H](C)[C@@H](c3ccc(OC)cc3)O[C@H]2C)cc1 ZINC000034467810 EI Annotated Anodyne in-man COc1oc(=O)c2cc(NC(=O)Oc3ccccc3)ccc2c1Cl ZINC000034492450 EI Annotated Anodyne CCCCCSc1nnc(-c2c(Cl)c(CC)nn2C)s1 ZINC000034494721 EI Annotated Anodyne CCSc1c(C)on(C(=O)N(CC)c2ccc(Cl)cc2)c1=O ZINC000034495481 EI Annotated Anodyne O=C(O)c1c(O)c(Cc2ccsc2)nc2c3c(ccc12)CCCC3 ZINC000034503675 EI Annotated Anodyne Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(C)(C)C)s1 ZINC000034512464 EI Annotated Anodyne CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](COC(C)=O)N13 ZINC000034535777 EI Annotated Anodyne CN(c1ccc2sccc2c1)c1nc(=O)c2cccnc2s1 ZINC000034570211 EI Annotated Anodyne Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1 ZINC000034577841 EI Annotated Anodyne in-vivo COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)(C)O)=CC3=CC[C@@H]12 ZINC000034602237 EI Annotated Anodyne COCc1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 ZINC000034602436 EI Annotated Anodyne CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nc(F)c3c1C2 ZINC000034633802 EI Annotated Mild COc1ccc(C(=O)c2cc(C#N)c3ccc4ccccc4n23)cc1 ZINC000034646004 EI Annotated Mild CC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1 ZINC000034646546 EI Annotated Anodyne Brc1ccccc1/C=N\Nc1ccc2ccccc2n1 ZINC000034700856 EI Annotated Mild CC[C@@H](C)/C=C(\C)C1=Cc2cc3cc(OC)c(=O)oc3c(O)c2CO1 ZINC000034733595 EI Annotated Anodyne C[C@H](NCCCCc1ccccc1)[C@H](O)c1ccc2c(c1)SCC2 ZINC000034778359 EI Annotated Anodyne C[C@@H](NCCCCc1ccccc1)[C@H](O)c1ccc2c(c1)SCC2 ZINC000034778361 EI Annotated Anodyne C[C@H](NCCCCc1ccccc1)[C@@H](O)c1ccc2c(c1)SCC2 ZINC000034778363 EI Annotated Anodyne C[C@@H](NCCCCc1ccccc1)[C@@H](O)c1ccc2c(c1)SCC2 ZINC000034778365 EI Annotated Anodyne CN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 ZINC000034801217 EI Annotated Anodyne CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 ZINC000034801219 EI Annotated Anodyne CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 ZINC000034801220 EI Annotated Anodyne CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 ZINC000034801222 EI Annotated Anodyne Cc1c(NCc2c(F)cccc2F)nc(C2CC2)nc1NC1CC1 ZINC000034802277 EI Annotated Anodyne CN(C)CCCCn1ccc2ccc(NC(=N)c3cccs3)cc21 ZINC000034804350 EI Annotated Anodyne O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12 ZINC000034820158 EI Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O ZINC000034820512 EI Annotated Anodyne CCCCC[C@@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821468 EI Annotated Anodyne CCCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821470 EI Annotated Anodyne CCCCCC[C@@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821472 EI Annotated Anodyne CCCCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821474 EI Annotated Anodyne CCOC(=O)[C@@]12C[C@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O ZINC000034821498 EI Annotated Anodyne CCOC(=O)[C@]12C[C@@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O ZINC000034821500 EI Annotated Anodyne CCCC[C@@]12CC[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821509 EI Annotated Anodyne CCCC[C@]12CC[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821510 EI Annotated Anodyne CCCC[C@@]12CC[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821512 EI Annotated Anodyne CCCC[C@]12CC[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821514 EI Annotated Anodyne CCCC[C@@]12C[C@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821556 EI Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821558 EI Annotated Anodyne C=C1CC[C@@H]2[C@@]3(C)CCC[C@@]2(C(=O)OC3)[C@@H]1C[C@H](O)c1ccoc1 ZINC000034827581 EI Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@H]1CC(=O)c1ccoc1 ZINC000034827718 EI Annotated Mild in-vitro biogenic COc1ccc2c(c1)CCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000034851532 EI Annotated Anodyne CCc1c2c(n(C)c1CC)CCC/C2=N\OC(=O)Nc1ccccc1 ZINC000034947202 EI Annotated Mild CC(C)C(=O)c1cn(-c2ccc(C(N)=O)cc2Cl)c2ccccc12 ZINC000034985185 EI Annotated Anodyne CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1 ZINC000003589086 EI Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNC(=S)c2cccc(Cl)c2)C1 ZINC000003596332 EI Annotated Anodyne O=[N+]([O-])c1cc(CSc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000003596422 EI Annotated Bother Cc1ccc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)s1 ZINC000003637292 EI Annotated Anodyne C=CC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)C(=O)CC(C)(C)O2 ZINC000003641073 EI Annotated Mild COC(=O)c1cccc(-c2c(C)ncn2Nc2cccc(Cl)c2)c1 ZINC000003641425 EI Annotated Anodyne O=C(c1ccccc1)N(C(=S)OCc1ccco1)c1ccccc1 ZINC000003648443 EI Annotated Anodyne O=[N+]([O-])c1ccc([S@@+](O)N(c2ccccn2)C2CCCCC2)cc1 ZINC000003680860 EI Annotated Mild O=[N+]([O-])c1ccc([S@+](O)N(c2ccccn2)C2CCCCC2)cc1 ZINC000003680861 EI Annotated Mild Nc1c([S@@+](O)c2ccccc2)sc2nc3c(cc12)CCCC3 ZINC000003683243 EI Annotated Mild Nc1c([S@+](O)c2ccccc2)sc2nc3c(cc12)CCCC3 ZINC000003683244 EI Annotated Mild CCCSCCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000003778529 EI Annotated Anodyne N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=S ZINC000003801010 EI Annotated Mild CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(=O)OC)cc1 ZINC000003806285 EI Annotated Anodyne CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(=O)O)cc1 ZINC000003810799 EI Annotated Anodyne CC[C@@]1(C)CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1C ZINC000003814388 EI Annotated Anodyne OC[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 ZINC000003826951 EI Annotated Bother Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1 ZINC000003832389 EI Annotated Anodyne COc1cc2cc(-c3cc(F)c(OC)c(F)c3)cnc2cc1OC ZINC000003834043 EI Annotated Anodyne COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ccccn1)CC2 ZINC000003841689 EI Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000003873866 EI Annotated Anodyne in-man COc1cc(/N=N\c2ccc(Br)cc2)cc(C=O)c1O ZINC000003899438 EI Annotated Clean CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)[nH]c3ncnn23)cc1 ZINC000003909969 EI Annotated Anodyne Cc1cccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)c1 ZINC000003912246 EI Annotated Anodyne O=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1ccccc1 ZINC000003942295 EI Annotated Anodyne C[C@@H](/C=C1\CC[C@@H](CN(C)C)C1=O)c1cccc(Br)c1 ZINC000003944540 EI Annotated Mild CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12 ZINC000003948099 EI Annotated Anodyne Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c(F)c1 ZINC000003948885 EI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 ZINC000003955000 EI Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000003955322 EI Annotated Anodyne CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000003955323 EI Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000003955324 EI Annotated Anodyne CC(C)CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000003955693 EI Annotated Anodyne COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CC[C@H]2N ZINC000003982035 EI Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)CN2C=C1 ZINC000003987293 EI Annotated Anodyne CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)CN12 ZINC000003987294 EI Annotated Anodyne COc1ccc(-c2nc(/C=C/C(=O)O)cn2C2CCCCC2)cc1 ZINC000035001682 EI Annotated Anodyne CC(C)=CCOc1cc(Nc2ncnc(Cl)n2)ccc1Cl ZINC000035010586 EI Annotated Anodyne CC(C)Oc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 ZINC000035013121 EI Annotated Anodyne CC(C)Oc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 ZINC000035013123 EI Annotated Anodyne C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](OC)(C/C(C)=C/[C@@H](O)C1)OC3=O ZINC000035034280 EI Annotated Mild C/C=C(\C)[C@H]1C(C)=C[C@H]2[C@H](O)CC[C@@H](C)[C@@H]2[C@H]1/C=C/C=C/C(=O)O ZINC000035034286 EI Annotated Anodyne Cc1cc(NC(=O)Nc2cccc3nsnc23)c2ccccc2n1 ZINC000035049728 EI Annotated Anodyne Cc1nccn1-c1csc(Nc2ccc(Br)cc2)n1 ZINC000035049903 EI Annotated Anodyne Cc1cn(-c2csc(Nc3cccc(Br)c3)n2)c(C)n1 ZINC000035049911 EI Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]23CCC[C@]21C3 ZINC000035050036 EI Annotated Anodyne Nc1cc(F)ccc1Nc1ccc2c(c1)OCc1ccccc1C2=O ZINC000035086271 EI Annotated Anodyne Cc1ccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc2c1 ZINC000035087095 EI Annotated Anodyne CCc1ccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc2c1 ZINC000035087097 EI Annotated Anodyne CCc1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 ZINC000035087130 EI Annotated Anodyne O=C(O)c1c(O)c(Cc2cccs2)nc2c3c(ccc12)CCCC3 ZINC000035087210 EI Annotated Anodyne O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(F)cccc12 ZINC000035087225 EI Annotated Anodyne COc1ccc(-c2[nH]c3cc(OC)ccc3c2C=C(C#N)C#N)cc1 ZINC000035088783 EI Annotated Reactive CNCCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccccc1O2 ZINC000035090789 EI Annotated Anodyne C1=C(c2cccc(CNCCOc3cccc4c3OCO4)c2)CCC1 ZINC000035259231 EI Annotated Anodyne O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccno1 ZINC000035272362 EI Annotated Anodyne CCOc1cc(/C(=C/C#N)c2ccc(OC)c(F)c2)ccc1OC ZINC000035812557 EI Annotated Reactive CCCC[C@H](CC)CC(=O)/C=C(\C)C[C@H](CC)[C@H](O)CC(=O)OC ZINC000035813306 EI Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C=C(C(C)C)C(=O)C2=O ZINC000035824641 EI Annotated Mild in-vitro biogenic CC/C=C/[C@H](CC)CC(=O)/C=C(\C)C[C@H](CC)[C@H](O)CC(=O)OC ZINC000035857913 EI Annotated Mild COC(=O)[C@]1(C=O)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@H]21 ZINC000035857966 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4C(=O)[C@@H]3CC[C@@H]12 ZINC000035875989 EI Annotated Anodyne CCN(CC)CCOc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000035906376 EI Annotated Anodyne CC(=O)N[C@H](C)C#Cc1ccc(Oc2ccc(OC(C)C)cc2)cc1 ZINC000035930308 EI Annotated Mild CC(=O)N[C@@H](C)C#Cc1ccc(Oc2ccc(OC(C)C)cc2)cc1 ZINC000035930309 EI Annotated Mild CNC1=Nc2ncccc2C(c2cccs2)=N[C@@H]1c1cccs1 ZINC000035930327 EI Annotated Anodyne CNC1=Nc2ncccc2C(c2cccs2)=N[C@H]1c1cccs1 ZINC000035930328 EI Annotated Anodyne COC(=O)[C@]1(C=O)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 ZINC000035930460 EI Annotated Mild COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@H]1O2 ZINC000035978571 EI Annotated Anodyne CC(=O)N1CCC[C@@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036080170 EI Annotated Anodyne CCCCCCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O ZINC000036088036 EI Annotated Mild Fc1ccc(CN(CC2CCC2)C2CCNCC2)c(C(F)(F)F)c1 ZINC000036093133 EI Annotated Anodyne CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 ZINC000036093178 EI Annotated Anodyne CC(C)CN(Cc1ccc(C(F)(F)F)cc1F)C1CCNCC1 ZINC000036093184 EI Annotated Anodyne CN(C)CC[C@]1(O)c2ccccc2CCc2ccc3ccccc3c21 ZINC000036151760 EI Annotated Anodyne in-vivo CN(C)CC[C@@]1(O)c2ccccc2CCc2ccc3ccccc3c21 ZINC000036151765 EI Annotated Anodyne in-vivo CCCC[C@@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C ZINC000036177361 EI Annotated Anodyne CCCC[C@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C ZINC000036177365 EI Annotated Anodyne COCCNc1c(-c2ccccc2)c(C#N)c2cccc(Cl)n12 ZINC000036185192 EI Annotated Mild O=C(OC1CCCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000036187804 EI Annotated Anodyne CN(C)c1nnc(-c2cccc(C(C)(C)C)c2)n1-c1cccc(O)c1 ZINC000036221915 EI Annotated Anodyne CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1 ZINC000036221921 EI Annotated Anodyne CC(C)(Cc1ccccc1)NC1=NCCN=C(c2ccccc2F)C1 ZINC000036270482 EI Annotated Anodyne Cc1ccc(C2=NCCN=C(NC(C)(C)Cc3ccccc3)C2)cc1 ZINC000036270488 EI Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCC(C#N)CCC1 ZINC000036286164 EI Annotated Mild CN(C)CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000036289133 EI Annotated Anodyne CN(C)CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000036289134 EI Annotated Anodyne COc1ccc(Br)c2c1CC[C@@H]1[C@@H](c3ccncc3)[C@H]21 ZINC000036289329 EI Annotated Anodyne COc1ccc(Br)c2c1CC[C@@H]1[C@H]2[C@@H]1c1ccncc1 ZINC000036289330 EI Annotated Anodyne Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)c(O)c21 ZINC000036350462 EI Annotated Anodyne CC[C@@H](c1ccccc1)N1CC[C@H](Oc2cccc3ccc(N)nc23)C1 ZINC000036351503 EI Annotated Anodyne CC[C@H](c1ccccc1)N1CC[C@H](Oc2cccc3ccc(N)nc23)C1 ZINC000036351504 EI Annotated Anodyne CCCCCCCCC(=O)N1Cc2ccc(O)c(OC)c2NC1=O ZINC000036351947 EI Annotated Mild Cc1cc(N(C)c2cncnc2)cc(OCc2cccc(Cl)c2)n1 ZINC000036352035 EI Annotated Anodyne CN(C)C12C/C(=N\O)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000036377600 EI Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@]13CC[C@H](OC1=O)C(C)(C)[C@@H]3CC2 ZINC000036378663 EI Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@]13CC[C@H](OC1=O)C(C)(C)[C@H]3CC2 ZINC000036378664 EI Annotated Anodyne COc1ccc([C@]23Cc4ccccc4[C@H](O2)C2=C(CCCC2=O)O3)cc1 ZINC000036379215 EI Annotated Mild CCCCC[C@]12Cc3ccccc3[C@H](O1)c1c(cc(C)oc1=O)O2 ZINC000036379220 EI Annotated Anodyne CCOC(=O)c1c(/C=N/Nc2ccccc2)c2sc(C)cc2n1C ZINC000036380674 EI Annotated Mild CCOP(=O)(OCC)c1ccc2ccc3ccccc3c(=O)c2c1 ZINC000036380859 EI Annotated Bother CC(=O)N[C@H](c1cccs1)c1cc(Cl)c2ccccc2c1O ZINC000036380895 EI Annotated Clean O=C(C[n+]1ccc(Cl)c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000036381175 EI Annotated Mild N#CC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381464 EI Annotated Mild CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCOC2 ZINC000036381543 EI Annotated Anodyne CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCNC2 ZINC000036381555 EI Annotated Anodyne C=C(CO[C@H]1C=C[C@@H](c2ccccc2)O[C@@H]1COC)c1ccccc1 ZINC000036381869 EI Annotated Mild COC[C@H]1O[C@]2(c3ccccc3)CO[C@H]1[C@@H](/C=C/c1ccccc1)C2 ZINC000036381877 EI Annotated Anodyne O=C(N[C@@H](CC1=CCCCC1)c1ccc2c(c1)OCO2)C(F)(F)F ZINC000036381915 EI Annotated Anodyne O=C1Nc2ccccc2[C@@]12O[C@H](COc1ccccc1)CC1=C2CCC1 ZINC000036381974 EI Annotated Anodyne CC(=O)C1=CN(CC/C=C/c2ccccc2)C(=O)N[C@@H]1c1ccccc1 ZINC000036382012 EI Annotated Mild C=C(CCN1C=C(C(C)=O)[C@@H](c2ccccc2)NC1=O)c1ccccc1 ZINC000036382025 EI Annotated Mild CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000036382053 EI Annotated Anodyne O=C1C=C(c2cnc3ccccc3c2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000036382226 EI Annotated Mild COc1ccc(C2=CC(=O)C[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000036382251 EI Annotated Mild O=C1C=C(c2ccc3cc[nH]c3c2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000036382256 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3ccc(OC)c(OC)c3)C2)cc1 ZINC000036382260 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3cc(C=O)ccc3OC)C2)cc1 ZINC000036382263 EI Annotated Mild O=C1C=C(c2cccc(Cl)c2O)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000036382269 EI Annotated Mild COc1ccc(C(=O)C[n+]2ccc(Cl)c3ccc(Cl)cc32)cc1 ZINC000036382678 EI Annotated Mild CC(=O)Nc1ccc(/C=C/c2ccnc3ccccc23)cc1[N+](=O)[O-] ZINC000036382748 EI Annotated Bother COc1ccc(SCCN2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000036382980 EI Annotated Anodyne C[C@H]1CCC(=O)N(CCSc2ccc(Br)cc2)CC1 ZINC000036383003 EI Annotated Anodyne CC[C@]12C(=Nc3c(Cl)cccc31)C[C@@H]1CCN3C(=O)CCC[C@H]2[C@H]13 ZINC000036383136 EI Annotated Anodyne CN(C)C1=NC[C@H](Cc2ccccc2)N1CCCC1CCCCC1 ZINC000036386729 EI Annotated Anodyne Cc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1 ZINC000036387374 EI Annotated Anodyne Cc1ccc(-c2cn(CCC(=O)O)c(-c3ccc(Cl)nc3)n2)cc1 ZINC000036387383 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)C=C(c3ccccc3OC)C2)cc1OC ZINC000036388269 EI Annotated Mild COc1cccc(C2=CC(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)c1 ZINC000036388271 EI Annotated Mild COc1ccc(C2=CC(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000036388273 EI Annotated Mild CC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccccc2c1O ZINC000036388624 EI Annotated Clean COc1ccc2sc(-c3ccccc3OC)c(C#CCCO)c2c1 ZINC000036388669 EI Annotated Mild COc1cccc(-c2sc3ccc(OC)cc3c2C#CCCO)c1 ZINC000036388672 EI Annotated Mild COc1cccc(-c2ncc3ccccc3c2COC(=O)N(C)C)c1 ZINC000036388747 EI Annotated Anodyne O=C(OC1(c2cc3ccccc3c(=O)o2)CCCCC1)c1ccco1 ZINC000036388773 EI Annotated Anodyne CC(C)(OC(=O)c1ccc(F)cc1)c1cc2ccccc2c(=O)o1 ZINC000036388774 EI Annotated Anodyne C=CCn1c2ccccc2c(=O)c2cc(C#Cc3ccccn3)ccc21 ZINC000036388937 EI Annotated Mild COc1ccc(-c2oc3ccccc3c2C#Cc2cncn2C)cc1 ZINC000036388952 EI Annotated Mild C[C@@H]1CCCCCCCCC(=O)OCCN1C(=O)OC(C)(C)C ZINC000036389246 EI Annotated Anodyne CC1(C)CC(=O)C=C(c2ccc(I)cc2)C1 ZINC000036389288 EI Annotated Mild COc1cccc(C2=CC(=O)C[C@H](c3ccc(F)cc3)C2)c1OC ZINC000036389304 EI Annotated Mild COc1ccc(C2=CC(=O)C[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036389323 EI Annotated Mild COc1c(F)cccc1C1=CC(=O)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000036389334 EI Annotated Mild COc1ccc(F)cc1C1=CC(=O)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000036389344 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3ccc(OC)cc3OC)C2)cc1 ZINC000036389354 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3ccc(OC)c(F)c3)C2)cc1 ZINC000036389356 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3c(OC)cccc3OC)C2)cc1 ZINC000036389360 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3cc(OC)ccc3OC)C2)cc1 ZINC000036389361 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3cccc(F)c3OC)C2)cc1 ZINC000036389362 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000036389383 EI Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3cc(F)ccc3OC)C2)cc1 ZINC000036389387 EI Annotated Mild COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)C[C@H](O)[C@@]12C ZINC000036398912 EI Annotated Anodyne in-vitro biogenic CCC(=O)C1=C(O)C2=C(OC(C)(C)C=C2)[C@@](C)(CC=C(C)C)C1=O ZINC000036416122 EI Annotated Mild CCC(=O)C1=C(O)C2=C(OC(C)(C)C=C2)[C@](C)(CC=C(C)C)C1=O ZINC000036416123 EI Annotated Mild CC(C)=CCC[C@H](C)[C@H]1c2cc(C(=O)O)cc(O)c2[C@H](C)C[C@H]1O ZINC000036474574 EI Annotated Anodyne O=C(Oc1noc2cc(Cl)ccc12)N1CCC(C(F)(F)F)CC1 ZINC000036488876 EI Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000037539033 EI Annotated Mild C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000037539035 EI Annotated Mild biogenic N#CC1=C(SCc2ccccc2)NC(=N)[C@@H](C#N)C12CCCCC2 ZINC000037865603 EI Annotated Reactive N#CC1=C(SCc2ccccc2)NC(=N)[C@H](C#N)C12CCCCC2 ZINC000037865604 EI Annotated Reactive O=C1C(O)=C(c2csc3ccccc23)C(=O)C(O)=C1c1ccccc1 ZINC000037866062 EI Annotated Mild O=C1C(O)=C(c2cccc3ccccc23)C(=O)C(O)=C1c1ccccc1 ZINC000037866065 EI Annotated Mild CCOc1cc(/C=C2\CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000037867970 EI Annotated Mild COc1cccc(-c2c3cc(N)ccc3c3ccc(=N)cc-3n2C)c1 ZINC000377386493 EI Annotated Bother N=c1ccn(CCCCn2ccc(=N)c3ccccc32)c2ccccc12 ZINC000377551736 EI Annotated Anodyne CN=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 ZINC000377805979 EI Annotated Bother CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccccc12 ZINC000377811536 EI Annotated Bother O=N/C=C1/C=CN(C/C=C/CN2C=C/C(=C/N=O)C(F)=C2)C=C1F ZINC000377816948 EI Annotated Anodyne CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)[N+](=O)C(C)(C)N2O ZINC000377819905 EI Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccccc3)ccc21 ZINC000377836352 EI Annotated Anodyne CC1=CC(C)(C)n2c(O)c(N=NC(N)=S)c3c(C)c(C)cc1c32 ZINC000377867592 EI Annotated Clean O=C(N[C@H](CC1=CCCCC1)c1ccc2c(c1)OCO2)C(F)(F)F ZINC000038142322 EI Annotated Anodyne CC(=O)C1=CN(CC/C=C/c2ccccc2)C(=O)N[C@H]1c1ccccc1 ZINC000038142383 EI Annotated Mild C=C(CCN1C=C(C(C)=O)[C@H](c2ccccc2)NC1=O)c1ccccc1 ZINC000038142394 EI Annotated Mild Cc1c(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1C ZINC000038142434 EI Annotated Reactive CC[C@@]12C(=Nc3c(Cl)cccc31)C[C@@H]1CCN3C(=O)CCC[C@H]2[C@H]13 ZINC000038143074 EI Annotated Anodyne CC(C)=CCN1CCN(CCC2=C(C)CCCC2(C)C)C[C@H]1CCO ZINC000038149455 EI Annotated Anodyne Cc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000038149903 EI Annotated Reactive CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000038149906 EI Annotated Reactive CCc1c(C)[nH]c2c1/C(=N/OC(=O)Nc1ccc(F)cc1)CCC2 ZINC000038149919 EI Annotated Mild COc1ccc(C[N+]2=C3c4ccccc4-c4ccccc4N3CC2)cc1 ZINC000038153010 EI Annotated Anodyne CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1 ZINC000038153946 EI Annotated Reactive CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1 ZINC000038153947 EI Annotated Reactive Fc1ccc([C@H]2OO[C@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 ZINC000038158859 EI Annotated Reactive Fc1ccc([C@H]2OO[C@@H]3CCC[C@@](c4ccccc4)(OO2)O3)cc1 ZINC000038158860 EI Annotated Reactive Fc1ccc([C@H]2OO[C@@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 ZINC000038158861 EI Annotated Reactive Fc1ccc([C@@]23CCC[C@H](OO[C@@H](c4ccccc4)OO2)O3)cc1 ZINC000038158871 EI Annotated Reactive ClC1=NN=C(c2c[nH]c3ccccc23)C[C@H]1NCc1ccccc1 ZINC000038160690 EI Annotated Anodyne ClC1=NN=C(c2c[nH]c3ccccc23)C[C@@H]1NCc1ccccc1 ZINC000038160691 EI Annotated Anodyne CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(O)cc1 ZINC000038214340 EI Annotated Anodyne O=c1oc2ccccc2cc1-n1cc(-c2cccc3ccccc23)nn1 ZINC000038223796 EI Annotated Anodyne C=C(C)[C@@H]1CC/C(C)=C/CC[C@]23O[C@H]2Cc2cc(O)cc1c2OC3=O ZINC000038230333 EI Annotated Mild Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F ZINC000038248634 EI Annotated Mild COC(=O)/C(C)=C/CC[C@]1(C)[C@@H]2CC[C@H](C(=O)O)[C@@]23CC=C(C)[C@@H]1C3 ZINC000038287740 EI Annotated Anodyne CC1=C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)([C@H]1CC(=O)c1ccoc1)[C@@H]23 ZINC000038305187 EI Annotated Anodyne COC(=O)[C@@]1(C)CC(=O)C2=C(c3ccoc3)C[C@]3(C)C2=C1CC[C@H]3C ZINC000038305531 EI Annotated Mild CC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 ZINC000038317578 EI Annotated Anodyne CC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 ZINC000038317579 EI Annotated Anodyne OCc1ccc(-c2nn(Cc3ccccc3Cl)c3ccccc23)o1 ZINC000038317690 EI Annotated Anodyne C[C@@H]1CC[C@@]23CO[C@@H](C=C2C(=O)O)C[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000038321699 EI Annotated Anodyne in-vitro biogenic CO[C@@H]1C(=O)CC[C@H](C(=O)C(F)(F)F)[C@H]1/C(C)=C/CCC(C)C ZINC000038330006 EI Annotated Anodyne in-vitro CC(C)c1cc([C@@]2(C(F)(F)F)NC(=O)N=C2O)cc(C(C)C)c1O ZINC000038343059 EI Annotated Anodyne CC(C)c1cc([C@]2(C(F)(F)F)NC(=O)N=C2O)cc(C(C)C)c1O ZINC000038343060 EI Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000038356437 EI Annotated Anodyne CC(=O)O[C@@H]1CCC=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000038388021 EI Annotated Reactive CCc1nn(CCO)c(CC)c1Sc1cc(Cl)cc(Cl)c1 ZINC000038442590 EI Annotated Anodyne O=C(O)CCCC#CC#C/C=C\CC/C=C\C#C/C=C/Br ZINC000038493949 EI Annotated Mild O=C(O)CCCC#CC#C/C=C\CCCCC#C/C=C/Br ZINC000038494080 EI Annotated Mild COc1ccc(C[C@@H](C#N)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 ZINC000038494150 EI Annotated Reactive in-vitro COc1ccc(C[C@H](C#N)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 ZINC000038494151 EI Annotated Reactive in-vitro O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 ZINC000380036800 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cncc(Br)c2[nH]1 ZINC000382289668 EI Annotated Anodyne Brc1cncc2nc([C@H]3Cc4ccccc4S3)[nH]c12 ZINC000382447279 EI Annotated Anodyne Brc1cncc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 ZINC000382447282 EI Annotated Anodyne N#Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12 ZINC000038542338 EI Annotated Mild COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1 ZINC000038608167 EI Annotated Anodyne O=C(O)CCCC#CC#CCCCC/C=C/C#C/C=C\Br ZINC000038618570 EI Annotated Mild O=C(O)C1=Cc2c(cc(Cl)c(Cl)c2Cl)O[C@H]1C(F)(F)F ZINC000038618616 EI Annotated Anodyne O=C(O)C1=Cc2c(cc(Cl)c(Cl)c2Cl)O[C@@H]1C(F)(F)F ZINC000038618618 EI Annotated Anodyne Cc1cc(Cl)cnc1-c1noc(-c2occc2Br)n1 ZINC000038694541 EI Annotated Anodyne O=C(O)CCCC#CC#C/C=C/CC/C=C/C#C/C=C/Br ZINC000038792589 EI Annotated Mild CC/C=C\C/C=C\C[C@@H]1O[C@H]1[C@H](O)/C=C\C/C=C\CCCC(=O)OC ZINC000038792842 EI Annotated Anodyne C=C[C@]1(C)C=C2[C@@H](O)C[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OC)[C@@H]2CC1 ZINC000038821058 EI Annotated Mild Cn1cc[n+](C)c1/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000038822468 EI Annotated Anodyne COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 ZINC000038822820 EI Annotated Clean COC(=O)[C@@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(O)c(O)c12 ZINC000038822822 EI Annotated Clean C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000038822826 EI Annotated Mild COC(=O)[C@H](C)C1=C([C@@]2(C)CCCC(C)(C)C2)CC[C@H]2COC(=O)[C@@H]12 ZINC000038876146 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000038883701 EI Annotated Anodyne CCOc1ccc2/c(=N/N=C/c3cccc(Cl)c3)cc(C)[nH]c2c1 ZINC000038889697 EI Annotated Mild C=C(C)C1=C(O)C(=O)C2=C(CC[C@@]3(OC)C(C)(C)CCC[C@]23C)C1=O ZINC000038894353 EI Annotated Mild in-vitro biogenic O=C(O)CCCC#CC#CCCCC/C=C/C#C/C=C/Br ZINC000038894476 EI Annotated Mild CCSc1c(C)on(C(=O)N(c2ccc(C)cc2)C(C)C)c1=O ZINC000038961727 EI Annotated Anodyne C[N+]12CCc3c([nH]c4ccccc34)C1c1[nH]c3ccccc3c1CC2 ZINC000038969809 EI Annotated Bother Clc1nc2nonc2nc1N(Cc1ccccc1)c1ccccc1 ZINC000038985690 EI Annotated Anodyne COc1oc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)O)c(C)c(=O)c1C ZINC000039049714 EI Annotated Anodyne Cc1sc(NC(=S)N(C)C2CCCCC2)c(C(=O)O)c1C ZINC000039092080 EI Annotated Anodyne CO[C@@]12C/C(C)=C/CC[C@@]3(C)[C@H]4CC[C@](C)(O4)[C@@H]3CC1=C(C)C(=O)O2 ZINC000039093613 EI Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)O)[C@@]2(C)CCC(=O)O)O1 ZINC000039137322 EI Annotated Mild CC(C)C1=CC2=C(O)C(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O ZINC000039158408 EI Annotated Mild O=C1CC[C@H](O)c2c(O)ccc(Oc3cccc4cccc(O)c34)c21 ZINC000039177224 EI Annotated Anodyne O=C(O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1O ZINC000039194350 EI Annotated Clean Nc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)O ZINC000039194354 EI Annotated Clean O=C(O)c1cc(-n2c(-c3ccc(O)cc3)cc3c2CCCC3)ccc1O ZINC000039194370 EI Annotated Clean O=C(O)c1cc(-n2c(-c3cccs3)cc3c2CCCC3)ccc1O ZINC000039194374 EI Annotated Clean CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(C3CCCC3)cccc21 ZINC000039198781 EI Annotated Anodyne CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C3CCCC3)cccc21 ZINC000039198782 EI Annotated Anodyne CC/C(=C\c1ccc(OCCCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] ZINC000039202448 EI Annotated Anodyne CN(C(=O)c1ccccc1)[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 ZINC000039214047 EI Annotated Anodyne CN(C(=O)c1ccccc1)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 ZINC000039214048 EI Annotated Anodyne CN(Cc1ccccc1)[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 ZINC000039214093 EI Annotated Anodyne CN(Cc1ccccc1)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 ZINC000039214094 EI Annotated Anodyne Cc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)c2c(ccc3nc[nH]c32)n1 ZINC000039214821 EI Annotated Bother COc1ccc(OC)c(Nc2cc(C)nc3ccc4[nH]cnc4c23)c1 ZINC000039214864 EI Annotated Anodyne Cc1c2c(c(C)n1-c1ccccc1Cl)[C@@](C)(C(N)=O)CC2(C)C ZINC000039215384 EI Annotated Anodyne Cc1c2c(c(C)n1-c1ccccc1Cl)[C@](C)(C(N)=O)CC2(C)C ZINC000039215385 EI Annotated Anodyne Cc1c2c(c(C)n1-c1cccc(Cl)c1)[C@@](C)(C(N)=O)CC2(C)C ZINC000039215386 EI Annotated Anodyne Cc1c2c(c(C)n1-c1cccc(Cl)c1)[C@](C)(C(N)=O)CC2(C)C ZINC000039215387 EI Annotated Anodyne Cc1c2c(c(C)n1-c1ccc(Cl)cc1)[C@@](C)(C(N)=O)CC2(C)C ZINC000039215388 EI Annotated Anodyne CC(C)OC(=O)CCCc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000039219681 EI Annotated Anodyne CN(C)CCCN1CC=C2C(=C(c3ccccc3)c3ccccc32)C1 ZINC000039223510 EI Annotated Anodyne CN(C)CCCN(C)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 ZINC000039239948 EI Annotated Clean CC(C)N1C(S)=N[C@@H](c2ccccc2)c2cc3c(cc21)OCO3 ZINC000039290303 EI Annotated Anodyne CC(C)N1C(S)=N[C@H](c2ccccc2)c2cc3c(cc21)OCO3 ZINC000039290304 EI Annotated Anodyne CC(C)N1C(S)=N[C@@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 ZINC000039290305 EI Annotated Anodyne CC(C)N1C(S)=N[C@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 ZINC000039290306 EI Annotated Anodyne CC(C)N1C(S)=N[C@@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000039290307 EI Annotated Anodyne CC(C)N1C(S)=N[C@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000039290308 EI Annotated Anodyne CCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000039308654 EI Annotated Anodyne CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000039308657 EI Annotated Anodyne Nc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1F ZINC000394032469 EI Annotated Anodyne O=Cc1cncc(-c2cc(Br)cc(Br)c2)c1 ZINC000039927583 EI Annotated Anodyne O=Cc1cccc(-c2cc(Br)cc(Br)c2)n1 ZINC000039927771 EI Annotated Anodyne CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cccc(Cl)c1Cl ZINC000004020082 EI Annotated Anodyne CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)noc1C ZINC000004034930 EI Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004054143 EI Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004054144 EI Annotated Anodyne O=[N+]([O-])c1cccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000004112315 EI Annotated Bother CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@@H](C)C[C@@H]21 ZINC000004125125 EI Annotated Anodyne CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@@H](C)C[C@H]21 ZINC000004125126 EI Annotated Anodyne CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@H](C)C[C@@H]21 ZINC000004125127 EI Annotated Anodyne CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@H](C)C[C@H]21 ZINC000004125128 EI Annotated Anodyne O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000004132679 EI Annotated Clean O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 ZINC000004132684 EI Annotated Clean C[C@@H]1[C@@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 ZINC000004148172 EI Annotated Anodyne C[C@H]1[C@@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 ZINC000004148173 EI Annotated Anodyne COc1cc(/N=C/C2=C(O)CC(C)(C)CC2=O)c(OC)cc1Cl ZINC000004166778 EI Annotated Mild O=C1Nc2ccc(Cl)cc2S[C@H](c2ccc(Cl)cc2)[C@@H]1O ZINC000004178693 EI Annotated Anodyne O=C1Nc2ccc(Cl)cc2S[C@@H](c2ccc(Cl)cc2)[C@@H]1O ZINC000004178696 EI Annotated Anodyne O=C1Nc2ccc(Cl)cc2S[C@H](c2ccc(Cl)cc2)[C@H]1O ZINC000004178698 EI Annotated Anodyne O=C1Nc2ccc(Cl)cc2S[C@@H](c2ccc(Cl)cc2)[C@H]1O ZINC000004178701 EI Annotated Anodyne CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215712 EI Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215713 EI Annotated Anodyne CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004215714 EI Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004215715 EI Annotated Anodyne O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000004238170 EI Annotated Anodyne COCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12 ZINC000004239214 EI Annotated Anodyne COc1ccc(CNc2cc(-c3ccccc3C)ncn2)c(OC)c1 ZINC000004239216 EI Annotated Anodyne CN(Cc1ccco1)c1cc(-c2ccccc2C(F)(F)F)ncn1 ZINC000004239290 EI Annotated Anodyne CN(Cc1ccco1)c1ncncc1-c1ccccc1C(F)(F)F ZINC000004239327 EI Annotated Anodyne C[C@@H]1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000004247007 EI Annotated Anodyne C[C@H]1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000004247008 EI Annotated Anodyne FC(F)(F)c1ccccc1-c1cncnc1NCc1cccnc1 ZINC000004258412 EI Annotated Anodyne Cc1noc(C)c1-c1nc(N(C)Cc2ccco2)c2ccccc2n1 ZINC000004264514 EI Annotated Anodyne Cc1cccc(CNc2ncncc2-c2ccccc2CN(C)C)c1 ZINC000004265243 EI Annotated Anodyne CN(Cc1ccco1)c1ccnc(-c2ccccc2C(F)(F)F)n1 ZINC000004265965 EI Annotated Anodyne COc1ccc(CNc2ncncc2-c2ccccc2C)c(OC)c1 ZINC000004266614 EI Annotated Anodyne Cc1cccc(CNc2ccnc(-c3ccccc3CN(C)C)n2)c1 ZINC000004267561 EI Annotated Anodyne Cc1cccc(CNc2cc(-c3ccccc3CN(C)C)ncn2)c1 ZINC000004268019 EI Annotated Anodyne CN(Cc1ccco1)c1nc(-c2cccc(C#N)c2)nc2ccccc12 ZINC000004268303 EI Annotated Mild Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2ccccc12 ZINC000004268570 EI Annotated Anodyne Cc1ccc(-n2ncc3c(SCc4cccnc4)ncnc32)c(C)c1 ZINC000004271749 EI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N(C)C ZINC000004294916 EI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N(C)C ZINC000004294918 EI Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N(C)C ZINC000004294919 EI Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N(C)C ZINC000004294920 EI Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N(C)C ZINC000004295636 EI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N(C)C ZINC000004295637 EI Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N(C)C ZINC000004295638 EI Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N(C)C ZINC000004295639 EI Annotated Anodyne N#Cc1c(Cl)nc(NN=Cc2ccccc2)c(Cl)c1Cl ZINC000004458818 EI Annotated Anodyne aggregator CN(C)CCCOC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040375104 EI Annotated Reactive Cc1csc2nc(OCC3CCN(C(C)C)CC3)c3cccn3c12 ZINC000040379014 EI Annotated Anodyne Cc1cccc(C)c1CNc1cc(-n2cccn2)cn2c(C)c(C)nc12 ZINC000040379094 EI Annotated Anodyne C[C@@H]1CCC[C@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 ZINC000040379508 EI Annotated Anodyne C[C@H]1CCC[C@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 ZINC000040379509 EI Annotated Anodyne C[C@@H]1CCC[C@@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 ZINC000040379510 EI Annotated Anodyne C[C@H]1CCC[C@@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 ZINC000040379511 EI Annotated Anodyne O=C1C[C@H](C2CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl ZINC000040379637 EI Annotated Anodyne Cc1ccccc1N(C)C(=O)c1cccc2c1C(=O)c1ccccc1-2 ZINC000040379696 EI Annotated Anodyne COc1ccc(-c2cc(C3CC3)nc(SCC(C)=O)c2C#N)cc1 ZINC000040379888 EI Annotated Mild C=CCCCCCCCCC(=O)Nc1cc(CO)cc(C(=O)OC)c1 ZINC000040380091 EI Annotated Mild C=CCN1[C@H]2CCC[C@@H]1CC(OC(=O)Nc1cc(C)ccc1OC)C2 ZINC000040380097 EI Annotated Mild CC1CCC2(CC1)CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O ZINC000040380133 EI Annotated Anodyne COc1cccc2cc(/C=C3\OC(=O)c4c3cc(C)nc4S)oc12 ZINC000040380250 EI Annotated Anodyne COc1ccc([C@H](O)c2cc(C#N)c3ccc4ccccc4n23)cc1 ZINC000040380546 EI Annotated Mild COc1ccc([C@@H](O)c2cc(C#N)c3ccc4ccccc4n23)cc1 ZINC000040380547 EI Annotated Mild Cc1cccc(C)c1C1=CC[C@H](N2CCN(c3ccccn3)CC2)CC1 ZINC000040380640 EI Annotated Anodyne Cc1cccc(C)c1C1=CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 ZINC000040380641 EI Annotated Anodyne COc1ccc2oc(/C=C3\OC(=O)c4c3cc(C)nc4S)cc2c1 ZINC000040380709 EI Annotated Anodyne CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1 ZINC000040392303 EI Annotated Anodyne CN(C(=S)N1CCC(c2cccc(Cl)c2)=N1)C1CCCCC1 ZINC000040392349 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@H]4C(=O)O ZINC000040392379 EI Annotated Anodyne Cc1cccc(/C=N\Nc2ncnc3sc(C(C)(C)C)cc23)n1 ZINC000040392709 EI Annotated Mild CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 ZINC000040393118 EI Annotated Anodyne CS[C@@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 ZINC000040393119 EI Annotated Anodyne CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 ZINC000040393120 EI Annotated Anodyne CS[C@@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 ZINC000040393121 EI Annotated Anodyne C[C@@H]1CN(C(=S)NCc2ccccc2Cl)N=C1c1ccccc1 ZINC000040393227 EI Annotated Anodyne C[C@H]1CN(C(=S)NCc2ccccc2Cl)N=C1c1ccccc1 ZINC000040393228 EI Annotated Anodyne CN(C)c1ccc2c(-c3cccs3)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000040393375 EI Annotated Bother CO[C@@H]1O[C@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 ZINC000040394409 EI Annotated Anodyne CO[C@@H]1O[C@@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 ZINC000040394410 EI Annotated Anodyne Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1Br ZINC000040394547 EI Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)c1 ZINC000040394554 EI Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)c1 ZINC000040394555 EI Annotated Anodyne C[C@H]1CC(=O)C([C@H]2C3=C(C[C@@H](C)CC3=O)Oc3ccccc32)=C(O)C1 ZINC000040395239 EI Annotated Mild C[C@H]1CC(=O)C([C@@H]2C3=C(C[C@@H](C)CC3=O)Oc3ccccc32)=C(O)C1 ZINC000040395240 EI Annotated Mild Cc1ccc(/C=N/n2c(Cc3c[nH]c4ccccc34)n[nH]c2=S)cc1 ZINC000040395727 EI Annotated Mild COc1cc2c3c(cc4cc(Cl)ccc4c3c1OC)N(C)C2=O ZINC000040401398 EI Annotated Bother Cc1ccc2c(c1)N(C)C1=C(C(=O)OC1)[C@@]2(C)c1ccc(Cl)cc1 ZINC000040402166 EI Annotated Anodyne Cc1ccc2c(c1)N(C)C1=C(C(=O)OC1)[C@]2(C)c1ccc(Cl)cc1 ZINC000040402169 EI Annotated Anodyne CNC1=Nc2nc(C)ccc2C(c2ccccc2)=N[C@H]1c1cccs1 ZINC000040402734 EI Annotated Anodyne CNC1=Nc2nc(C)ccc2C(c2ccccc2)=N[C@@H]1c1cccs1 ZINC000040402737 EI Annotated Anodyne C/C=C/CCCCCCC/C(O)=N/S(=O)(=O)c1ccc(N)cc1 ZINC000040403540 EI Annotated Mild c1ccc(OCC2[C@H]3CN(Cc4nc5ccccc5s4)C[C@@H]23)cc1 ZINC000040403576 EI Annotated Anodyne CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CCCC(C)(C)[C@@H]1C2 ZINC000040403744 EI Annotated Anodyne CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CCCC(C)(C)[C@@H]1C2 ZINC000040403747 EI Annotated Anodyne CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CCCC(C)(C)[C@H]1C2 ZINC000040403750 EI Annotated Anodyne CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CCCC(C)(C)[C@H]1C2 ZINC000040403753 EI Annotated Anodyne Oc1ccc(CNCc2ccc(C(F)(F)F)cc2)c2cccnc12 ZINC000040406159 EI Annotated Anodyne Cc1cc(Cl)cc(Oc2cccc(Cc3ccc(=O)[nH]n3)c2)c1 ZINC000040406260 EI Annotated Anodyne C[C@@H]1CCC2=C(C[C@H]3C[C@]2(C)C(=O)O3)[C@@]1(C)CC(=O)c1ccoc1 ZINC000040410829 EI Annotated Anodyne O=C1c2ccccc2C2(CCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000040412846 EI Annotated Anodyne COc1ccc(C2=C(c3ccsc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040413116 EI Annotated Anodyne COc1ccc(C2=C(c3ccsc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040413119 EI Annotated Anodyne CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(O)cc12 ZINC000040413138 EI Annotated Anodyne Cc1cc(C)cc(N(c2cc(C(=O)N3CCCC3)n(C)c2)C(C)C)c1 ZINC000040414110 EI Annotated Anodyne CC(C)C[C@@H]1CN2C(=NC[C@@H]2C)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000040414399 EI Annotated Anodyne C=C1C[C@H]2[C@@](C)(CO)C(=O)CC[C@]2(C)c2cc(O)c(C(C)C)cc21 ZINC000040420480 EI Annotated Mild Cc1cccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)c1 ZINC000040420949 EI Annotated Anodyne COc1cc(OC)c2c(C)[n+](-c3ccc(Cl)cc3)c(C)cc2c1 ZINC000040421033 EI Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1cccc(Cl)c1 ZINC000040422650 EI Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1cccc(Cl)c1 ZINC000040422652 EI Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1ccccc1Cl ZINC000040423162 EI Annotated Anodyne O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1ccccc1Cl ZINC000040423163 EI Annotated Anodyne Brc1ccc(C2=NCCCN=C2c2ccccc2)cc1 ZINC000040423458 EI Annotated Anodyne COc1cccc2cc(CSc3nc4ccccc4o3)c(=O)oc12 ZINC000040423882 EI Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)OCCc2cccc(Cl)c2)cc1 ZINC000040423953 EI Annotated Bother CC1(C)OCC(=O)Nc2ccc(-c3cc(Cl)cc(C#N)c3)cc21 ZINC000040424090 EI Annotated Mild O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCCC2 ZINC000040429740 EI Annotated Anodyne c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1 ZINC000040430930 EI Annotated Anodyne COc1ccc(C(=O)c2ccc(N(C)C)c3ccccc23)cc1OC ZINC000040431347 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42O3 ZINC000040471893 EI Annotated Anodyne CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42O3 ZINC000040471896 EI Annotated Anodyne CCCCN1CCN(CC)[C@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 ZINC000040488721 EI Annotated Anodyne COc1cc(Br)ccc1C(=O)c1coc2ccccc12 ZINC000404306920 EI Annotated Anodyne O=C(c1cccc(I)c1)c1coc2ccccc12 ZINC000404370296 EI Annotated Anodyne O=C(c1ccc(I)cc1)c1coc2ccccc12 ZINC000404398718 EI Annotated Anodyne O=C(c1ccccc1I)c1coc2ccccc12 ZINC000404408904 EI Annotated Anodyne Cc1nc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000404491624 EI Annotated Anodyne Cc1ccc(C)c(Cc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000404498387 EI Annotated Anodyne Cc1nc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1Br ZINC000404573236 EI Annotated Anodyne Cc1nc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1Br ZINC000404573237 EI Annotated Anodyne COc1cccc(-c2nc3n(c2-c2cccc(OC)c2)CCS3)c1 ZINC000040504598 EI Annotated Anodyne CC(=O)/C(=C\c1ccccc1)Oc1ccc(OC[C@@H](C)N(C)C)cc1 ZINC000040520004 EI Annotated Mild CC(C)C[C@H](O)[C@@H](C)C(=O)/C=C\c1ccc(Br)cc1 ZINC000040563998 EI Annotated Mild CC(C)C[C@@H](O)[C@@H](C)C(=O)/C=C\c1ccc(Br)cc1 ZINC000040564001 EI Annotated Mild CC(C)C[C@H](O)[C@H](C)C(=O)/C=C\c1ccc(Br)cc1 ZINC000040564004 EI Annotated Mild CC(C)C[C@@H](O)[C@H](C)C(=O)/C=C\c1ccc(Br)cc1 ZINC000040564007 EI Annotated Mild C[C@@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1ccccc1 ZINC000040564717 EI Annotated Anodyne C[C@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1ccccc1 ZINC000040564720 EI Annotated Anodyne Cn1cc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cn1 ZINC000040564809 EI Annotated Anodyne CC(C)c1ccccc1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000040567004 EI Annotated Anodyne CO/N=C1/C(c2c(O)n(C)c3c(Cl)cccc23)=Nc2ccccc21 ZINC000040567080 EI Annotated Mild N/C(=N/c1ccc(Cl)cc1)c1ccccc1OCc1ccncc1 ZINC000040568643 EI Annotated Mild N/C(=N/c1ccccc1Cl)c1ccccc1OCc1ccncc1 ZINC000040575299 EI Annotated Mild CC(=O)c1ccc(NC(=O)O/N=C2\CCCc3[nH]c(C)c(C)c32)cc1 ZINC000040575567 EI Annotated Mild CCc1c(C)[nH]c2c1/C(=N/NC(=S)Nc1cccc(C)c1)CCC2 ZINC000040575600 EI Annotated Mild O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC2=C1[C@@H]1CCC[C@@H]1N2 ZINC000040575843 EI Annotated Mild O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC2=C1[C@H]1CCC[C@@H]1N2 ZINC000040575845 EI Annotated Mild O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC2=C1[C@@H]1CCC[C@H]1N2 ZINC000040575847 EI Annotated Mild O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC2=C1[C@H]1CCC[C@H]1N2 ZINC000040575849 EI Annotated Mild CCc1c2c(n(C)c1C)CCC/C2=N\OC(=O)Nc1ccccc1 ZINC000040575903 EI Annotated Mild C=C(/C=C/C(=O)Nc1ccc(N)cc1)C[C@@]1(C)Cc2ccccc2C1=O ZINC000040576017 EI Annotated Mild C=C(/C=C/C(=O)Nc1ccc(N)cc1)C[C@]1(C)Cc2ccccc2C1=O ZINC000040576019 EI Annotated Mild CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Cc2ccccc2C1=O ZINC000040577111 EI Annotated Anodyne CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Cc2ccccc2C1=O ZINC000040577113 EI Annotated Anodyne CC1(C)Oc2c(c3nccnc3c3ccccc23)C[C@H]1Br ZINC000040584385 EI Annotated Reactive CC1(C)Oc2c(c3nccnc3c3ccccc23)C[C@@H]1Br ZINC000040584387 EI Annotated Reactive CC(C)Sc1nc([C@@H](C#N)c2cccc3ccccc23)cc(=O)[nH]1 ZINC000040584531 EI Annotated Mild CC(C)Sc1nc([C@H](C#N)c2cccc3ccccc23)cc(=O)[nH]1 ZINC000040584533 EI Annotated Mild CCSc1nc([C@@H](C#N)c2cccc3ccccc23)c(CC)c(=O)[nH]1 ZINC000040584656 EI Annotated Mild CCSc1nc([C@H](C#N)c2cccc3ccccc23)c(CC)c(=O)[nH]1 ZINC000040584658 EI Annotated Mild COc1ccc(-c2[nH]c3ccc(OC)cc3c2C=C(C#N)C#N)cc1 ZINC000040592749 EI Annotated Reactive O=C(c1ccccn1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1 ZINC000040631869 EI Annotated Anodyne CCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 ZINC000040631932 EI Annotated Anodyne CCN1CCN(C2=Nc3ccc(F)cc3CC=C2c2ccccc2)CC1 ZINC000040632180 EI Annotated Anodyne S=C(NCCSCc1cc2ccccc2[nH]1)Nc1ccccc1 ZINC000040632296 EI Annotated Anodyne C#CC(C)(C)Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 ZINC000040640034 EI Annotated Mild CN(C)CCCOc1ccccc1/C=C(\C#N)c1noc2ccccc12 ZINC000040646008 EI Annotated Reactive CN1CCC(OC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000040656056 EI Annotated Reactive CCCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 ZINC000040712644 EI Annotated Anodyne CCCN1CN(CCC)[C@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040741546 EI Annotated Anodyne N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1n1ccc2ccccc21 ZINC000040752530 EI Annotated Reactive N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1n1ccc2ccccc21 ZINC000040752532 EI Annotated Reactive CN(C)C12C/C(=N\O)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040753352 EI Annotated Mild CN(C)C12C/C(=N\O)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000040753356 EI Annotated Mild Nc1c(Cc2ccccc2Cl)cnc(=S)n1-c1ccccc1 ZINC000040762946 EI Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@H](C)C3)[C@@H]2CC/C(C)=C/CC1 ZINC000040763138 EI Annotated Anodyne N#C/C(=C/c1ccccc1Cl)CNC(=S)Nc1ccccc1 ZINC000040763144 EI Annotated Reactive CC(C)(C)n1nc(Cc2ccccc2Cl)c2ccccc2c1=O ZINC000040763251 EI Annotated Anodyne BrC[C@@H]1Nc2ccc3cc4ccccc4nc3c2CO1 ZINC000040764236 EI Annotated Reactive BrC[C@H]1Nc2ccc3cc4ccccc4nc3c2CO1 ZINC000040764237 EI Annotated Reactive CCc1[nH]c2c(c1CC)/C(=N/OC(=O)Nc1ccccc1)CCC2 ZINC000040764430 EI Annotated Mild CCN(CC)CCn1nc2c3ccccc3oc3c4[nH]cnc4cc1c23 ZINC000040767267 EI Annotated Bother N#C/C=C/c1ccc(Nc2ccnc(Nc3ccc(C#N)cc3)n2)cc1 ZINC000040767273 EI Annotated Reactive C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000040791346 EI Annotated Anodyne Brc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3)C[C@@H]1CO2 ZINC000040801729 EI Annotated Anodyne Brc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3)C[C@H]1CO2 ZINC000040801732 EI Annotated Anodyne COc1ccccc1-c1nc2n(c1-c1ccccc1OC)CCS2 ZINC000040812858 EI Annotated Anodyne COc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cn1 ZINC000040828443 EI Annotated Reactive CN(Cc1ccccc1)C(=S)N1CCC(c2cccc(Cl)c2)=N1 ZINC000040828607 EI Annotated Anodyne COc1ccc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)[nH]c2c1 ZINC000040829161 EI Annotated Anodyne c1ccc(CO/N=C2\c3ccccc3CC[C@@H]2Cn2ccnc2)cc1 ZINC000040833610 EI Annotated Mild c1ccc(CO/N=C2\c3ccccc3CC[C@H]2Cn2ccnc2)cc1 ZINC000040833612 EI Annotated Mild CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccc(O)cc12 ZINC000040834033 EI Annotated Anodyne CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(O)cc12 ZINC000040835186 EI Annotated Anodyne CSC(=O)C#CC(C)(C)N(Cc1ccccc1)Cc1ccccc1 ZINC000040836150 EI Annotated Mild Cc1ccc(C2=NN(C)[C@H](c3ccc(C)cc3)[C@@H]2n2ccnc2)cc1 ZINC000040836178 EI Annotated Anodyne O=C(c1ccccc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000040846811 EI Annotated Bother Cc1cc(Cc2ccc(Cl)c(Oc3ccccc3)c2)n[nH]c1=O ZINC000040847269 EI Annotated Anodyne S=C(Nc1ccc(Cl)cc1Cl)OCCc1ccccn1 ZINC000040848099 EI Annotated Anodyne C[C@@H]1CCCC[C@@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O ZINC000040849134 EI Annotated Anodyne C[C@H]1CCCC[C@@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O ZINC000040849136 EI Annotated Anodyne C[C@@H]1CCCC[C@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O ZINC000040849138 EI Annotated Anodyne C[C@H]1CCCC[C@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O ZINC000040849140 EI Annotated Anodyne COc1cccc2oc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)cc12 ZINC000040859907 EI Annotated Anodyne COc1ccc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)oc2c1 ZINC000040860192 EI Annotated Anodyne C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(F)cc2)S1)c1ccc(F)cc1 ZINC000040860742 EI Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(c2ccc(F)cc2)S1)c1ccc(F)cc1 ZINC000040860744 EI Annotated Anodyne Cc1cc(-n2ccnc2)cn2c(CSCCc3ccccc3)cnc12 ZINC000040862263 EI Annotated Anodyne Cc1ccccc1NC(=S)N1CCC(c2cccc(Cl)c2)=N1 ZINC000040863313 EI Annotated Anodyne O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1F ZINC000040864752 EI Annotated Anodyne CCN(CC)CCCCN1c2ccccc2O[C@H]2C=CC(Cl)=C[C@@H]21 ZINC000040865338 EI Annotated Anodyne CCN(CC)CCCCN1c2ccccc2O[C@@H]2C=CC(Cl)=C[C@@H]21 ZINC000040865340 EI Annotated Anodyne Cc1ccc(/C=N\Nc2ncnc3sc(C(C)(C)C)cc23)nc1 ZINC000040867005 EI Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2C[C@H](O)[C@@H]1C3 ZINC000040872450 EI Annotated Mild COc1cccc(/C=C/C(=O)/C=C/C2=C(C)[C@@H](O)CCC2(C)C)c1 ZINC000040872495 EI Annotated Mild COc1cccc(/C=C/C(=O)/C=C/C2=C(C)[C@H](O)CCC2(C)C)c1 ZINC000040872497 EI Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000040872820 EI Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000040872822 EI Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000040872824 EI Annotated Mild O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1F ZINC000040873460 EI Annotated Anodyne O=C1C(=O)N(Cc2ccc(F)cc2F)c2c(Cl)ccc(Cl)c21 ZINC000040874752 EI Annotated Anodyne O=C1C(=O)N(Cc2ccccc2Cl)c2c(Cl)ccc(Cl)c21 ZINC000040875842 EI Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)C(=O)CC[C@H](C)OC(C)=O ZINC000040876293 EI Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)C(=O)CC[C@@H](C)OC(C)=O ZINC000040876296 EI Annotated Mild CCCCCCNc1nc(C#N)nc2c1NCN2CC1CCCCC1 ZINC000040876305 EI Annotated Mild Cc1cccc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)n1 ZINC000040877927 EI Annotated Anodyne Cc1cccc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 ZINC000040877931 EI Annotated Anodyne CCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F ZINC000040878338 EI Annotated Anodyne C[C@@]12CC[C@H]3[C@@](CC[C@@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 ZINC000040878482 EI Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 ZINC000040878486 EI Annotated Anodyne C[C@@]12CC[C@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 ZINC000040878489 EI Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 ZINC000040878493 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CC[C@H](O)[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000040880321 EI Annotated Anodyne Nc1ccccc1C#C/C=C\C#Cc1ccccc1OC(F)(F)F ZINC000040880762 EI Annotated Mild CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 ZINC000040891822 EI Annotated Anodyne Clc1ccc2nc(COc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000040893389 EI Annotated Anodyne CCCCn1c2nc(-c3ccccc3)nc(=O)c-2cc2ccccc21 ZINC000040895072 EI Annotated Bother C=CCNC(=O)C(C)(C)[C@H](O)c1ccccc1/C=C/c1ccccc1 ZINC000040895377 EI Annotated Mild C=CCNC(=O)C(C)(C)[C@@H](O)c1ccccc1/C=C/c1ccccc1 ZINC000040895380 EI Annotated Mild C[C@@H](CCl)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040895654 EI Annotated Reactive C[C@H](CCl)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040895657 EI Annotated Reactive Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 ZINC000040895934 EI Annotated Anodyne FC(F)(F)c1ccc(NC(=S)OCCc2ccccn2)cc1 ZINC000040896391 EI Annotated Anodyne Cc1ncccc1Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cn1 ZINC000040896508 EI Annotated Anodyne CCSC[C@@H]1C[C@](C)(O)C[C@H](c2ccc(Br)cc2)O1 ZINC000040899260 EI Annotated Anodyne C[C@@]1(C(=O)Nc2ncc[nH]2)CC2c3ccccc3C1c1ccccc12 ZINC000040901105 EI Annotated Anodyne Nc1ccccc1[C@H]1c2ccccc2CCN1CCOc1ccccc1 ZINC000040913448 EI Annotated Anodyne Nc1ccccc1[C@@H]1c2ccccc2CCN1CCOc1ccccc1 ZINC000040913450 EI Annotated Anodyne COc1cccc(SC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC000040913899 EI Annotated Mild COc1cc(OC)cc(C(=O)c2csc(-c3ccccc3)n2)c1 ZINC000040915275 EI Annotated Anodyne O=C(O)CCCC#CC#C/C=C/CCCCC#C/C=C/Br ZINC000040915681 EI Annotated Mild O=c1ccc(Cc2ccc(Cl)c(Oc3cccc(Cl)c3)c2)n[nH]1 ZINC000040917444 EI Annotated Anodyne Cc1ccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)cc1 ZINC000040917487 EI Annotated Anodyne CCCC[C@]1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O ZINC000040917628 EI Annotated Anodyne CCCC[C@@]1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O ZINC000040917629 EI Annotated Anodyne CCCN(CC1CC1)c1nc(N[C@@H](C)c2ccccc2)ncc1C#N ZINC000040917749 EI Annotated Mild CCCN(CC1CC1)c1nc(N[C@H](C)c2ccccc2)ncc1C#N ZINC000040917750 EI Annotated Mild Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1 ZINC000040917822 EI Annotated Bother in-vivo Fc1cccc2c1CC[C@H](Cn1ccnc1)/C2=N/OCc1ccccc1 ZINC000040917975 EI Annotated Mild Fc1cccc2c1CC[C@@H](Cn1ccnc1)/C2=N/OCc1ccccc1 ZINC000040917976 EI Annotated Mild Cc1ccc(Cc2ccc(=O)[nH]n2)cc1Oc1cccc(Cl)c1 ZINC000040917987 EI Annotated Anodyne Cc1cc(Cc2ccc(Cl)c(Oc3ccccc3)c2F)n[nH]c1=O ZINC000040918640 EI Annotated Anodyne CCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 ZINC000040933541 EI Annotated Anodyne O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12 ZINC000040933949 EI Annotated Anodyne COc1cc(OC)c2c(C)[n+](-c3ccc4ncccc4c3)c(C)cc2c1 ZINC000040934198 EI Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000040934241 EI Annotated Anodyne CCN(c1cc(C)cc(C)c1)c1cc(C(=O)N2CCCC2)n(C)c1 ZINC000040934867 EI Annotated Anodyne Oc1cc(Cl)c(Cc2cc(O)c(O)c(Cl)c2Cl)cc1O ZINC000040935067 EI Annotated Clean C=CCC1(CC=C)C(=O)N(c2ccc(C#N)cc2)C(=O)c2ccccc21 ZINC000040935674 EI Annotated Mild O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1Cl ZINC000040936200 EI Annotated Reactive O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1Cl ZINC000040936202 EI Annotated Reactive O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1Cl ZINC000040936203 EI Annotated Reactive O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1Cl ZINC000040936204 EI Annotated Reactive COc1ccc(C2=C(c3cccs3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040938026 EI Annotated Anodyne COc1ccc(C2=C(c3cccs3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040938028 EI Annotated Anodyne Nc1cc(N)c2nc(-c3ccccc3)c(Oc3ccc(F)cc3)nc2c1 ZINC000040938718 EI Annotated Anodyne CSc1ccc(C2=C(c3ccco3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040938847 EI Annotated Anodyne CSc1ccc(C2=C(c3ccco3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040938849 EI Annotated Anodyne CSc1ccc(C2=C(c3ccoc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040938851 EI Annotated Anodyne CSc1ccc(C2=C(c3ccoc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040938853 EI Annotated Anodyne Cc1cc(-n2ccnc2)c2ncc(CSCCc3ccccc3)n2c1 ZINC000040938951 EI Annotated Anodyne Oc1cc2c(c(-c3ccccc3)c1O)CCNC[C@H]2c1ccccc1 ZINC000040939942 EI Annotated Clean Oc1cc2c(c(-c3ccccc3)c1O)CCNC[C@@H]2c1ccccc1 ZINC000040939944 EI Annotated Clean Oc1cc2c(c(-c3ccc(F)cc3)c1O)CCNC[C@H]2c1ccccc1 ZINC000040940029 EI Annotated Clean Oc1cc2c(c(-c3ccc(F)cc3)c1O)CCNC[C@@H]2c1ccccc1 ZINC000040940031 EI Annotated Clean Cc1cccc(-c2c(O)c(O)cc3c2CCNC[C@H]3c2ccccc2)c1 ZINC000040940283 EI Annotated Clean Cc1cccc(-c2c(O)c(O)cc3c2CCNC[C@@H]3c2ccccc2)c1 ZINC000040940285 EI Annotated Clean CSc1ccc(C2=C(c3ccncc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040940563 EI Annotated Anodyne CSc1ccc(C2=C(c3ccncc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040940565 EI Annotated Anodyne COc1cc2cc(c1O)-c1cc(ccc1O)CCC(=O)CCCC2 ZINC000040949319 EI Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC3)cc1Cl ZINC000040949679 EI Annotated Anodyne COc1c(CC=C(C)C)c(O)cc(CCc2ccccc2)c1C(=O)O ZINC000040951633 EI Annotated Anodyne C/C(=C/C(=O)O[C@@H](C)c1ccccc1)OP1(=O)O[C@@H](C)[C@@H](C)O1 ZINC000040951731 EI Annotated Anodyne C/C(=C/C(=O)O[C@@H](C)c1ccccc1)OP1(=O)O[C@H](C)[C@@H](C)O1 ZINC000040951736 EI Annotated Anodyne CC(C)(C)c1ccc(NC(=O)C2=CCN(c3nccs3)CC2)cc1 ZINC000040952387 EI Annotated Anodyne CC(C)(C)c1ncc(C(=O)Nc2cc(O)ccc2Cl)nc1Cl ZINC000040952755 EI Annotated Anodyne N#Cc1cc(C(=O)c2ccccc2)n2c1ccc1c([N+](=O)[O-])cccc12 ZINC000040954297 EI Annotated Mild Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 ZINC000040954495 EI Annotated Anodyne O=[N+]([O-])c1cnc(Sc2nc3cc(C(F)(F)F)ccc3[nH]2)s1 ZINC000040954533 EI Annotated Clean N#Cc1cc(C(=O)c2cccc(N)c2)n2c1ccc1c(Cl)cccc12 ZINC000040954691 EI Annotated Mild O=C1C(=O)N(Cc2c(F)cccc2F)c2c(Cl)ccc(Cl)c21 ZINC000040955168 EI Annotated Anodyne CC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1 ZINC000040955674 EI Annotated Anodyne Cc1ccc([C@@H]([C@H](CO)OCc2ccccc2)N(C)CC(C)C)cc1 ZINC000040956712 EI Annotated Anodyne O=c1oc(OCC2CCCCC2)c(Cl)c2ccc([N+](=O)[O-])cc12 ZINC000040957161 EI Annotated Bother COc1cc(OC)cc(C(=O)c2ccc(N(C)C)c3ccccc23)c1 ZINC000040957742 EI Annotated Anodyne N#Cc1cc(C(=O)c2ccc(N)cc2)n2c1ccc1c(Cl)cccc12 ZINC000040973314 EI Annotated Mild COC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 ZINC000040974905 EI Annotated Anodyne COC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 ZINC000040974907 EI Annotated Anodyne O=c1cc(O)c2ccc3c(c2o1)C=CC1(O3)C2CC3CC(C2)CC1C3 ZINC000040975212 EI Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)OCCc2ccccc2Cl)cc1 ZINC000040975295 EI Annotated Bother O=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl ZINC000040977362 EI Annotated Anodyne CC1=C(O)c2c(oc(-c3c(C)cc(C)cc3C)cc2=O)C(C)(C)C1=O ZINC000040979470 EI Annotated Mild Cc1c(-c2ccccc2)c(C#N)c(N)c(C#N)c1N1CCC(C)CC1 ZINC000040980403 EI Annotated Mild CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 ZINC000040980543 EI Annotated Anodyne C=C1[C@@H]2CC=C3[C@@](C[C@H](O)[C@@H]4C(C)(C)CCC[C@@]34C)(C2)[C@@H]1OC(C)=O ZINC000040980709 EI Annotated Mild Cc1c(-c2cc(-c3ccccc3Cl)no2)cnn1C1CCNCC1 ZINC000040981091 EI Annotated Anodyne CCN(CC)c1nc(Nc2cccc([C@@H](C)O)c2)nc2ccccc12 ZINC000041147768 EI Annotated Anodyne CCN(CC)c1nc(Nc2cccc([C@H](C)O)c2)nc2ccccc12 ZINC000041147771 EI Annotated Anodyne COc1cccc2c(N/N=C/c3ccc4ccccc4n3)ccnc12 ZINC000042920284 EI Annotated Mild CN(C(=S)SCc1coc2ccccc2c1=O)c1ccccc1 ZINC000042920476 EI Annotated Anodyne COc1ccc2c(N/N=C/c3ccnc4ccccc34)ccnc2c1 ZINC000042920617 EI Annotated Mild CC(C)N(C(=S)SCc1coc2ccccc2c1=O)C(C)C ZINC000042921262 EI Annotated Anodyne O=c1c(Cl)c(CSC(=S)N2CCCC2)oc2ccccc12 ZINC000042921282 EI Annotated Anodyne CCC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)C(=O)CC(C)(C)O2 ZINC000042922941 EI Annotated Anodyne O=c1c(SC(=S)N2CCCCC2)coc2ccc(Cl)cc12 ZINC000042923570 EI Annotated Anodyne CC[C@]12CCCn3c(COC)cc(c31)-c1ccccc1NC(=O)CC2 ZINC000042965292 EI Annotated Anodyne Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F ZINC000042966909 EI Annotated Anodyne C/C=C/C1=Nc2c(oc3ccc(Br)cc23)/C(=C/C=O)O1 ZINC000043009945 EI Annotated Reactive Cc1cccc(/C=N/c2nnc(Cn3c(C)nc4ccccc43)s2)c1 ZINC000043012901 EI Annotated Mild C=C[C@]1(C)Cc2c(OC(C)=O)ccc(OC(C)=O)c2C[C@@H]1C(=C)C ZINC000043014245 EI Annotated Mild Oc1nc2cc(-c3cccc(Br)c3)nn2c2ccccc12 ZINC000043019114 EI Annotated Anodyne c1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 ZINC000043024748 EI Annotated Anodyne O=c1c(-c2ccccc2)nc(Cl)c(CCl)n1-c1ccccc1 ZINC000043024944 EI Annotated Reactive CCc1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)CC2)cc1 ZINC000043061731 EI Annotated Anodyne CC1(C)CCC(=O)c2nc3ccccc3nc2-c2ccccc2C(=O)O1 ZINC000043062076 EI Annotated Anodyne COc1c2occc2c(/N=C/c2cccs2)c2ccc(=O)oc12 ZINC000043062923 EI Annotated Mild Cc1ccc(C(=O)CCc2nnc(COc3ccccc3)o2)c(C)c1 ZINC000043065833 EI Annotated Anodyne COc1ccc([C@@H](CC(=O)c2cc3ccccc3o2)C[N+](=O)[O-])cc1 ZINC000043066247 EI Annotated Bother COc1ccc([C@H](CC(=O)c2cc3ccccc3o2)C[N+](=O)[O-])cc1 ZINC000043066251 EI Annotated Bother COc1cc2c(cc1O)C[C@@H](C)[C@@H](C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000043067670 EI Annotated Anodyne Cc1ccccc1/C=N/c1nnc(Cn2c(C)nc3ccccc32)s1 ZINC000043069281 EI Annotated Mild C=Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000043070999 EI Annotated Anodyne CCN(CC)C(=S)SCc1cc(=O)c2ccc(Cl)cc2o1 ZINC000043072229 EI Annotated Anodyne Cc1cccc(-c2nc(C(C)(C)C)cn2-c2ccc3c(c2)OCCO3)n1 ZINC000043073859 EI Annotated Anodyne Fc1cccc(CNC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 ZINC000043078803 EI Annotated Anodyne Fc1cccc(CNC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 ZINC000043078805 EI Annotated Anodyne Fc1cccc(CNC2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1 ZINC000043078808 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000043079293 EI Annotated Anodyne CC(C)N(C(=S)SCc1cc(=O)c2ccccc2o1)C(C)C ZINC000043079782 EI Annotated Anodyne c1coc(-c2ccc(CN3CCc4[nH]nc(C5CCC5)c4C3)cc2)c1 ZINC000043089232 EI Annotated Anodyne CCCCCCCC/N=C(\S)N1CCc2cc(O)c(O)cc2C1 ZINC000043100869 EI Annotated Mild COc1ccc(C(c2ccccc2)(c2ccccc2)n2cncn2)cc1 ZINC000043120193 EI Annotated Anodyne N#Cc1ccc(-c2ccc(N3CC[C@@H]4CN(CC5CC5)C[C@@H]43)cc2)cc1 ZINC000043120396 EI Annotated Mild CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(F)cc4)cc3)CN2C=C1 ZINC000043120850 EI Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(F)cc4)cc3)CN2C=C1 ZINC000043120852 EI Annotated Anodyne CN(CCCCn1c(=O)oc2ccccc21)Cc1ccccc1Cl ZINC000043122235 EI Annotated Anodyne COC(=O)c1sc2cc(OC)ccc2c1C#Cc1ccc(F)cc1 ZINC000043123057 EI Annotated Mild COC(=O)c1sc2cc(OC)ccc2c1C#Cc1ccccc1F ZINC000043123299 EI Annotated Mild O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)[C@@H]1c1ccc(O)cc1 ZINC000043196199 EI Annotated Anodyne in-vivo O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)[C@H]1c1ccc(O)cc1 ZINC000043196200 EI Annotated Anodyne in-vivo COc1cc(/C=C/c2nc3ccccc3[nH]2)ccc1-n1cnc(C)c1 ZINC000043197796 EI Annotated Anodyne Cc1cccc2c(=O)n(-c3ccccc3Br)c(=S)[nH]c12 ZINC000043198370 EI Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=CCOC2=O)C/C=C\C=C\1C(=O)O ZINC000043199469 EI Annotated Mild Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCCC2)n1 ZINC000043199898 EI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)C1CCCCC1 ZINC000043200754 EI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)C1CCCCC1 ZINC000043200755 EI Annotated Anodyne Cc1cccc(Nc2sc(-c3cccc(F)c3F)cc2C(N)=O)n1 ZINC000043202080 EI Annotated Anodyne CC1=C(C)C(=O)C([C@H](CCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000043260157 EI Annotated Mild Fc1c(F)c(F)c2[nH]c3c(F)c(F)c(F)c(F)c3o[nH]c2c1F ZINC000043273941 EI Annotated Mild C=C(C)[C@H](CCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2)OO ZINC000043300169 EI Annotated Reactive CCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O ZINC000043335431 EI Annotated Mild C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000043356638 EI Annotated Reactive C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000043356639 EI Annotated Reactive C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000043356640 EI Annotated Reactive C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000043356641 EI Annotated Reactive C[C@@H]1CC[C@H]2CCO[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4 ZINC000043379945 EI Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043397022 EI Annotated Reactive C=C(c1ccc(OC)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043397023 EI Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043397049 EI Annotated Reactive C=C(c1ccc(F)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043397050 EI Annotated Reactive C=C1C(=O)O[C@@H](CCCCCCCC)[C@@H]1C(=O)NCc1ccccc1 ZINC000043463082 EI Annotated Mild CCCCCCCCNc1nc2n(C)c3ccccc3cc-2c(=O)n1 ZINC000043562062 EI Annotated Mild FC(F)(F)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 ZINC000043606077 EI Annotated Reactive Brc1ccc(C2OOC3(CCCCCC3)OO2)cc1 ZINC000043617227 EI Annotated Reactive C1CCC(NCC2CCC3(CC2)OOC2(CCCCC2)OO3)CC1 ZINC000043620324 EI Annotated Reactive CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3C=C[C@]12OO3 ZINC000043676843 EI Annotated Reactive CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)C[C@@H]3C=C[C@]12OO3 ZINC000043676845 EI Annotated Reactive CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3C=C[C@]12OO3 ZINC000043676846 EI Annotated Reactive CC1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)C[C@@H]3C=C[C@]12OO3 ZINC000043676847 EI Annotated Reactive CCCCCCCC/N=C(\S)N1CCc2c(ccc(O)c2O)C1 ZINC000043780776 EI Annotated Mild CCCCCCC[C@H](O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000043815345 EI Annotated Mild CCCCCCC[C@@H](O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000043815347 EI Annotated Mild COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000044146254 EI Annotated Clean COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000044146257 EI Annotated Clean COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000044146259 EI Annotated Clean COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000044146262 EI Annotated Clean CCC1=C(OC)C(C)(C)C(=O)C(C(=O)/C=C/c2ccccc2)=C1O ZINC000044265232 EI Annotated Mild C=C1CC[C@@H](OO)C(=C)CCC2=C(C(C)C)C(=O)C[C@@]2(C)CC1=O ZINC000044388203 EI Annotated Reactive CCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C2=C(C=CC(C)(C)O2)C1=O ZINC000044389187 EI Annotated Mild CCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C2=C(C=CC(C)(C)O2)C1=O ZINC000044389190 EI Annotated Mild CCCCCCCCCNC1=NC(C)(C)NC(Nc2ccccc2)=N1 ZINC000044430993 EI Annotated Mild 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)OO ZINC000044431118 EI 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)OO ZINC000044431120 EI Annotated Reactive Nc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1 ZINC000044460337 EI Annotated Anodyne COc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000044881961 EI Annotated Anodyne CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCC[C@H](C)C1 ZINC000004562974 EI Annotated Anodyne CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCC[C@@H](C)C1 ZINC000004562976 EI Annotated Anodyne CN(C)c1ccc(-c2cc(C3CCCCC3)c3c(N)ncnc3n2)cc1 ZINC000004617739 EI Annotated Anodyne Cc1ccccc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1N ZINC000004707768 EI Annotated Clean C[C@@H]1C[C@@H](O)[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000004716541 EI Annotated Anodyne COC1=N[P@@](=S)(SC)N(C)c2sc3c(c21)CCCC3 ZINC000004761187 EI Annotated Reactive COC1=N[P@](=S)(SC)N(C)c2sc3c(c21)CCCC3 ZINC000004761195 EI Annotated Reactive C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004806870 EI Annotated Clean C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000004806876 EI Annotated Clean Brc1ccccc1/C=N/Nc1ccc2ccccc2n1 ZINC000004868669 EI Annotated Mild CCCCN(C)C(=O)c1cc2cc3ccc(OC)cc3nc2s1 ZINC000004886320 EI Annotated Anodyne S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 ZINC000004886614 EI Annotated Anodyne C=CCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 ZINC000004887890 EI Annotated Mild Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc43)cc12 ZINC000004902642 EI Annotated Anodyne Cc1cc(C)n2c(Nc3ccccc3C)c(-c3ccccn3)nc2n1 ZINC000004903190 EI Annotated Anodyne Cc1cc(C)n2c(Nc3ccccc3C)c(-c3cccnc3)nc2n1 ZINC000004903221 EI Annotated Anodyne CCc1ccccc1Nc1cc(/C(O)=N/CCOC)c2ccccc2n1 ZINC000004910281 EI Annotated Mild COc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000004914583 EI Annotated Anodyne COc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000004914592 EI Annotated Anodyne O=C1c2ccccc2[C@H](Nc2ccc(F)cc2F)N1c1cccnc1 ZINC000004917972 EI Annotated Anodyne O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2F)N1c1cccnc1 ZINC000004917977 EI Annotated Anodyne Cc1cc(N2CCC(N(C)C3CCCC3)CC2)nc2cc(O)ccc12 ZINC000004961455 EI Annotated Anodyne CC12CC3(C)CC(C)(C1)CC(NC(=O)N(CCCl)N=O)(C2)C3 ZINC000004962446 EI Annotated Reactive CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21 ZINC000004969920 EI Annotated Anodyne O=C(N/N=C/C(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000004976974 EI Annotated Reactive CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)COc1ccccc1Cl)C2 ZINC000004982772 EI Annotated Reactive Fc1ccccc1/C=N/N=c1\cc[nH]c2ccc(C(F)(F)F)cc12 ZINC000045167858 EI Annotated Mild COc1ccc2/c(=N\N=C\c3cccc(Cl)c3)cc(C)[nH]c2c1 ZINC000045168342 EI Annotated Mild COc1cc2c(=O)c(Cc3ccc(Cl)cc3)c(C)[nH]c2cc1F ZINC000045168655 EI Annotated Anodyne COc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)c(C)[nH]c2c1 ZINC000045187424 EI Annotated Anodyne CCOc1ccc2[nH]c(C)c/c(=N\N=C\c3ccc(Cl)cc3)c2c1 ZINC000045188020 EI Annotated Mild COc1ccc2[nH]c(C)c/c(=N/N=C/c3ccccc3Cl)c2c1 ZINC000045188201 EI Annotated Mild Cc1c/c(=N\N=C\c2ccccc2)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000045189218 EI Annotated Mild COc1ccc2[nH]c(C)c/c(=N/N=C/c3cccc(Cl)c3)c2c1 ZINC000045189837 EI Annotated Mild Cc1[nH]c(C)c(-c2ccc(C(F)(F)F)cc2)c(=O)c1Br ZINC000045189988 EI Annotated Anodyne Cc1c/c(=N\C(=O)Nc2ccc(Cl)cc2F)c2ccccc2[nH]1 ZINC000045190182 EI Annotated Anodyne Cc1cc(F)ccc1-c1nc(Nc2ccncc2)c2ccn(C)c2n1 ZINC000045192564 EI Annotated Anodyne Cc1c/c(=N\C(=O)Nc2ccc3ncccc3c2)c2ccccc2[nH]1 ZINC000045193971 EI Annotated Anodyne CC[C@H](C)NCc1c(O)ccc2c(CN[C@H](C)CC)c(O)ccc12 ZINC000045195807 EI Annotated Clean CC[C@H](C)NCc1c(O)ccc2c(CN[C@@H](C)CC)c(O)ccc12 ZINC000045195810 EI Annotated Clean CC[C@@H](C)NCc1c(O)ccc2c(CN[C@H](C)CC)c(O)ccc12 ZINC000045195813 EI Annotated Clean Clc1cccc(Nc2ccc3c(N4CCCCC4)ncnc3n2)c1 ZINC000045196104 EI Annotated Anodyne Nc1nccc(-c2ccc3c(/C=C/c4ccccc4)cnc(N)c3c2)n1 ZINC000045196246 EI Annotated Anodyne N#Cc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000045201228 EI Annotated Mild N#Cc1cccc([C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000045201230 EI Annotated Mild CCOc1ccc2[nH]c(C)c/c(=N\N=C\c3ccccc3Cl)c2c1 ZINC000045201316 EI Annotated Mild Cc1[nH]c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c(=O)c1C#N ZINC000045202490 EI Annotated Mild COc1ccc(NC(=N)Nc2ccccc2)nc1Cc1ccccc1 ZINC000045210245 EI Annotated Anodyne CCCNc1nc(NCc2c(C)cccc2C)nc(NC(C)(C)C)n1 ZINC000045227861 EI Annotated Anodyne Fc1cccc(/C=N/N=c2\cc[nH]c3ccc(C(F)(F)F)cc23)c1 ZINC000045228926 EI Annotated Mild COc1cccc(C(=O)NCc2cccs2)c1Oc1ccccc1 ZINC000045229059 EI Annotated Anodyne CCCCc1cc(NC2CCN(C)CC2)nc(Nc2ccccc2)n1 ZINC000045229709 EI Annotated Anodyne COc1ccc2c(c1)C(=O)C(c1ccc(Oc3ccccc3)cc1)=[N+]2[O-] ZINC000045245492 EI Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2c(O)cccc12 ZINC000045253712 EI Annotated Anodyne CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1 ZINC000045254101 EI Annotated Anodyne CCN/C(CCCCCCCCCCCC/C(=N/O)NCC)=N\O ZINC000045254109 EI Annotated Mild Cc1cc(OC(=O)c2c(F)ccc(C)c2F)n(Cc2ccccc2)n1 ZINC000045254527 EI Annotated Anodyne CCOC(=O)c1cc(-c2cccc(OCc3ccccc3F)c2)on1 ZINC000045258915 EI Annotated Anodyne Cc1cccc(Nc2nc(-c3ccncc3)c(CCCO)s2)c1 ZINC000045259024 EI Annotated Anodyne O=C1C(c2ccc(Cl)c(C(F)(F)F)c2)=[N+]([O-])c2ccccc21 ZINC000045260785 EI Annotated Anodyne CC(C)c1csc(C(=O)N/N=C/c2cccc(Cl)c2Cl)n1 ZINC000045261252 EI Annotated Reactive O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000045261302 EI Annotated Bother CN(C)CCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000045283411 EI Annotated Clean CCn1c(=S)sc2c(NC(=S)Nc3ccccc3)ncnc21 ZINC000045283486 EI Annotated Anodyne CN(C)CCCNc1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000045283806 EI Annotated Clean CN1CCC2(N(C)C)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000045283956 EI Annotated Anodyne CN1CCC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000045283958 EI Annotated Anodyne CC(C)(Sc1nc2ccc(Br)cc2s1)C(=O)O ZINC000045284361 EI Annotated Anodyne CCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045284657 EI Annotated Mild Cc1nc(-c2ccc3occ(-c4ccc([S@](C)=O)cc4)c3c2)no1 ZINC000045286808 EI Annotated Anodyne Cc1nc(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)no1 ZINC000045286810 EI Annotated Anodyne O=C1C(c2ccc(Cl)cc2)=[N+]([O-])c2cc(C(F)(F)F)ccc21 ZINC000045290063 EI Annotated Anodyne Fc1ccc([C@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045290584 EI Annotated Anodyne Fc1ccc([C@@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045290587 EI Annotated Anodyne COc1ccc([C@@H]2C[C@@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 ZINC000045298375 EI Annotated Anodyne COc1ccc([C@H]2C[C@@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 ZINC000045298377 EI Annotated Anodyne COc1ccc([C@@H]2C[C@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 ZINC000045298379 EI Annotated Anodyne COc1ccc([C@H]2C[C@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 ZINC000045298381 EI Annotated Anodyne C=CCOc1cc(OC)c2c(=O)c3cc4ccccc4cc3n(C)c2c1 ZINC000045299170 EI Annotated Mild CN(C)CCCNc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000045299222 EI Annotated Clean Cc1ccc(-c2ccc3ncc(-c4ccc([S@](C)=O)cc4)n3c2)o1 ZINC000045300045 EI Annotated Anodyne Cc1ccc(-c2ccc3ncc(-c4ccc([S@@](C)=O)cc4)n3c2)o1 ZINC000045300046 EI Annotated Anodyne CC1CCN(C(=S)SSC(=S)N2CCC(C)CC2)CC1 ZINC000045301173 EI Annotated Reactive Cc1ccc(-c2ccc3ncn(-c4ccc([S@](C)=O)cc4)c3c2)o1 ZINC000045301478 EI Annotated Anodyne Cc1ccc(-c2ccc3ncn(-c4ccc([S@@](C)=O)cc4)c3c2)o1 ZINC000045301480 EI Annotated Anodyne C(=N/Nc1nccc2sc(-c3cccnc3)cc12)\c1cccnc1 ZINC000045301601 EI Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c/c(=N/N=C/c3cccnc3)c2c1 ZINC000045302608 EI Annotated Mild c1ccc([C@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045302635 EI Annotated Anodyne c1ccc([C@@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045302636 EI Annotated Anodyne C(=N/Nc1nccc2sc(-c3cccnc3)cc12)\c1ccncc1 ZINC000045303061 EI Annotated Mild CC(C)(Sc1nc2cc(Br)ccc2s1)C(=O)O ZINC000045319006 EI Annotated Anodyne CN(C)CCCN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045319810 EI Annotated Clean Cc1ccc(CN2CCc3nc(N4CCCCC4)sc3C2)s1 ZINC000045323272 EI Annotated Anodyne COc1ccc2ccccc2c1/C=N\N=c1/cc[nH]c2ccc(F)cc12 ZINC000045323863 EI Annotated Mild Cc1ccc2[nH]c(-c3cc(-c4cccc(C#N)c4)cnc3N)nc2c1 ZINC000045324345 EI Annotated Mild CCCc1cc([C@@H](O)[C@@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc2n1 ZINC000045324400 EI Annotated Anodyne Cc1cc2ncn(-c3nccc(NCc4ccc(F)cc4)n3)c2cc1C ZINC000045334718 EI Annotated Anodyne CC(C)c1ccc(O)c(CC[C@@H]2[C@@](C)(O)CCC[C@@]2(C)C(=O)O)c1 ZINC000045336637 EI Annotated Anodyne CC(C)/C(C=O)=C\C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O ZINC000045336736 EI Annotated Reactive CC1(C)C=Cc2c(ccc3cc(-c4ccc(O)cc4O)c(=O)oc23)O1 ZINC000045337018 EI Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23CC/C(=C\C=O)O3)C1(C)C ZINC000045337499 EI Annotated Reactive Cc1[nH]c(C)c([N+](=O)[O-])c(=O)c1-c1ccc(Oc2ccccc2)cc1 ZINC000045337851 EI Annotated Bother Fc1ccc(/C=N/N=c2\cc[nH]c3ccc(C(F)(F)F)cc23)cc1 ZINC000045338117 EI Annotated Mild Cc1ccc(Oc2cc(OCCCF)ccc2CN(C)C)c(N)c1 ZINC000045338391 EI Annotated Anodyne Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1 ZINC000045338649 EI Annotated Anodyne S=C(Nc1ccccc1)N1NC2=C(CCCC2)[C@H]1c1ccco1 ZINC000045340218 EI Annotated Anodyne S=C(Nc1ccccc1)N1NC2=C(CCCC2)[C@@H]1c1ccco1 ZINC000045340220 EI Annotated Anodyne COc1ccc(-c2sc3ccccc3c2CN)c(OC)c1OC ZINC000045347387 EI Annotated Anodyne CC(C)(C)c1cc2c(N/N=C/c3ccc(O)cc3)ncnc2s1 ZINC000045347604 EI Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc(F)cc1Cl)N=C(c1ccco1)N2 ZINC000045349859 EI Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(F)cc1Cl)N=C(c1ccco1)N2 ZINC000045349862 EI Annotated Mild FC(F)(F)c1cc(Nc2ccccc2)nc(NCc2ccccn2)n1 ZINC000045350051 EI Annotated Anodyne C[C@]1(c2ccccc2)Nc2ccc3c(c2N1)C(=O)c1ccccc1C3=O ZINC000045350522 EI Annotated Clean C[C@@]1(c2ccccc2)Nc2ccc3c(c2N1)C(=O)c1ccccc1C3=O ZINC000045350525 EI Annotated Clean CCn1ccc2cc(Cc3ccc(OC)c(OC)c3OC)ccc21 ZINC000045351136 EI Annotated Anodyne Cc1cc(Nc2ccccc2)nc(NCc2ccc3c(c2)CCN3C)n1 ZINC000045351619 EI Annotated Clean COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)CC[C@@H]21 ZINC000045354986 EI Annotated Reactive C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=CC[C@@H]1C3 ZINC000045356283 EI Annotated Mild C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=CC[C@@H]1C3 ZINC000045356351 EI Annotated Mild O=[N+]([O-])c1ccc(C[n+]2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1 ZINC000045357046 EI Annotated Bother COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@]1(CO1)C3 ZINC000045357743 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C=O)[C@H](CC[C@H]12)C3 ZINC000045357746 EI Annotated Mild Nc1nc(-c2ccc(Cl)s2)cn1/N=C/c1ccc(Cl)cc1 ZINC000045368431 EI Annotated Mild COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000045369265 EI Annotated Anodyne C=C1[C@@H](O)[C@H]2C[C@@H]1CC1=C2[C@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]2CC1 ZINC000045371459 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3 ZINC000045373361 EI Annotated Anodyne Cc1nn(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000045373517 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@]1(CO1)C3 ZINC000045373778 EI Annotated Anodyne O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccc(-c2ccsc2)o1 ZINC000045385777 EI Annotated Bother CC[C@@H](CO)Nc1nccnc1-c1ccccc1Oc1ccccc1 ZINC000045387939 EI Annotated Anodyne CC[C@H](CO)Nc1nccnc1-c1ccccc1Oc1ccccc1 ZINC000045387943 EI Annotated Anodyne O=C1O/C(=C\c2ccccc2)C=C1c1ccc(Br)cc1 ZINC000045388931 EI Annotated Anodyne Cc1ccc(-c2csc3ncn4c(=O)c5ccccc5nc4c23)cc1 ZINC000045389982 EI Annotated Bother CCCC/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045392109 EI Annotated Anodyne Brc1cccc2c1[nH]c1c[n+](Cc3ccccc3)ccc12 ZINC000045392725 EI Annotated Anodyne CC1(C)C[C@H](NC(=S)Nc2cccnc2)c2cc(Cl)ccc2O1 ZINC000045393534 EI Annotated Anodyne CC1(C)C[C@@H](NC(=S)Nc2cccnc2)c2cc(Cl)ccc2O1 ZINC000045393539 EI Annotated Anodyne Brc1ccc2[nH]c3c[n+](Cc4ccccc4)ccc3c2c1 ZINC000045393715 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@@H]4C[C@]3(C=C4C=O)CC[C@H]12 ZINC000045393951 EI Annotated Reactive CCn1ccc2cc(Cc3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000045394103 EI Annotated Anodyne Cc1cccc(C(C)C)c1Sc1oc2nc(N)nc(N)c2c1C ZINC000045394279 EI Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc(Cl)ccc1N2 ZINC000045484312 EI Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc(Cl)ccc1N2 ZINC000045484315 EI Annotated Anodyne COP(=O)(CNC1(C(=O)O)CCCCCCCCCCC1)OC ZINC000045495667 EI Annotated Anodyne CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12 ZINC000045496033 EI Annotated Anodyne O=C1CCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000045496318 EI Annotated Mild O=C1CCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000045496320 EI Annotated Mild COc1ccc(/C(=N/O)c2ccc3ccccc3c2)c(OC)c1OC ZINC000045496534 EI Annotated Mild CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12 ZINC000045497000 EI Annotated Anodyne Cc1csc(NC(=O)c2cc(Sc3ccccc3)ccc2N)n1 ZINC000045497252 EI Annotated Anodyne C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000045497628 EI Annotated Mild CC[C@@]1(c2ccco2)OCC(=O)Nc2ccc(-c3coc(C#N)c3)cc21 ZINC000045497737 EI Annotated Mild CC[C@]1(c2ccco2)OCC(=O)Nc2ccc(-c3coc(C#N)c3)cc21 ZINC000045497739 EI Annotated Mild Cc1cn2c(/C=C3/C(=O)N(C)c4ccc(Cl)cc43)c(C)nc2s1 ZINC000045498512 EI Annotated Clean O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O ZINC000045498571 EI Annotated Anodyne NCc1[nH]c2c(ccc3cnc(/C=C/c4ccccc4)cc32)c1C(=O)O ZINC000045821223 EI Annotated Anodyne N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000046441637 EI Annotated Mild CON=C(c1ccon1)c1ccccc1COc1ccc(Cl)cc1 ZINC000472780284 EI Annotated Mild CON=C(c1ccon1)c1ccccc1COc1ccc(C)c(C)c1 ZINC000472820242 EI Annotated Mild CON=C(c1ccon1)c1ccccc1COc1c(C)cccc1C ZINC000472820249 EI Annotated Mild CON=C(c1ccon1)c1ccccc1COc1cccc(Cl)c1 ZINC000472824872 EI Annotated Mild Cc1c(O)cc2c3c1[C@H](C)[C@@H](C)O[C@@H]3C[C@H](c1ccc(O)cc1)O2 ZINC000473081295 EI Annotated Anodyne Cc1cc2c(c3oc(CCCC#N)cc13)C(=O)c1c(O)cccc1C2=O ZINC000473085945 EI Annotated Mild O=C(O)c1cc2sc(=Nc3cccc4ccccc34)[nH]c2cc1O ZINC000473085952 EI Annotated Anodyne Nc1cccc(-c2cn3nc(-c4ccc(Cl)cc4)sc3n2)c1 ZINC000473086958 EI Annotated Anodyne Nc1cccc(-c2cn3nc(Cc4ccc(Cl)cc4)sc3n2)c1 ZINC000473088004 EI Annotated Anodyne Cc1ccc(-c2cnc(C3(NCC4CCOCC4)CCCC3)[nH]2)cc1 ZINC000473088660 EI Annotated Anodyne CSc1cccc(N=c2[nH]c(-c3ccc(O)c(O)c3)cs2)c1 ZINC000473089012 EI Annotated Clean CCOc1ccc(-c2nn3cc(-c4cccc(N)c4)nc3s2)cc1 ZINC000473089210 EI Annotated Anodyne Cc1cc(=NCc2cccc(Cl)c2Cl)c2cccc(CN)c2[nH]1 ZINC000473089727 EI Annotated Anodyne CO[C@]1(C(C)C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1 ZINC000473089731 EI Annotated Mild O=C(/C=C/c1ccc(CN2CCCCC2)c(O)c1)c1ccc(F)cc1 ZINC000473089906 EI Annotated Mild Cc1cc(C(N)=O)c2nc(C)cc(NCc3c(C)cccc3C)c2c1 ZINC000473090914 EI Annotated Anodyne C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@@H]3[C@H]1CC2 ZINC000473091506 EI Annotated Anodyne CCn1cncc1CNC1(c2ncc(-c3ccc(C)cc3)[nH]2)CCCC1 ZINC000473092254 EI Annotated Anodyne O=C(/C=C/c1ccc(CN2CCCCC2)c(O)c1)c1cccs1 ZINC000473094006 EI Annotated Mild O=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1cccs1 ZINC000473094795 EI Annotated Clean CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Sc1ccccc1 ZINC000473095798 EI Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Sc1ccccc1 ZINC000473095804 EI Annotated Mild Cc1cc(=NCc2cccc(Cl)c2Cl)c2cccc(CO)c2[nH]1 ZINC000473096081 EI Annotated Anodyne Cc1ccc(-c2cnc(C3(NCc4ccncc4)CCCC3)[nH]2)cc1 ZINC000473096137 EI Annotated Anodyne c1ccc(CN=c2nc(OCc3ccccc3)c3ccccc3[nH]2)cc1 ZINC000473096861 EI Annotated Anodyne CCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cccc(C)c21 ZINC000473099195 EI Annotated Mild Cc1nc2cc(Br)ccc2nc1Oc1ccc(N)cc1 ZINC000473099390 EI Annotated Clean Cc1nc2cc(Br)ccc2nc1Oc1ccccc1N ZINC000473105913 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]c2=O)cc1 ZINC000473106395 EI Annotated Anodyne Cc1nc2cc(Br)ccc2nc1Oc1ccc(C=O)cc1 ZINC000473106504 EI Annotated Anodyne CCOC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 ZINC000473107483 EI Annotated Anodyne CCOC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 ZINC000473107484 EI Annotated Anodyne CCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2c(C)cccc21 ZINC000473108502 EI Annotated Mild O=C(O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 ZINC000473108868 EI Annotated Bother CCSC[C@H](C(=O)c1ccc(OC)cc1)n1cnc2ccccc21 ZINC000473109509 EI Annotated Anodyne CCSC[C@@H](C(=O)c1ccc(OC)cc1)n1cnc2ccccc21 ZINC000473109511 EI Annotated Anodyne CCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2[nH]c1=N ZINC000473111573 EI Annotated Anodyne CC[C@H](C)n1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473111745 EI Annotated Mild CC[C@@H](C)n1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473111751 EI Annotated Mild Cc1nn2c(-c3nc4ccc(O)cc4[nH]3)c(-c3ccccc3)nc2s1 ZINC000473112258 EI Annotated Anodyne Cc1nn2c(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nc2s1 ZINC000473112494 EI Annotated Anodyne N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc(C2CC2)on1 ZINC000473113431 EI Annotated Mild CC(C)(C)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000473114563 EI Annotated Bother Oc1ccc(-c2cnn(-c3ccccc3-c3ccc(O)cc3)n2)cc1 ZINC000473117368 EI Annotated Anodyne CC1(C)CCC2=C(O1)c1ccccc1/C(=N/Nc1ccccc1)C2=O ZINC000473117602 EI Annotated Mild CCCCCc1cc2c(Cc3cccc(CN)c3)cccc2[nH]c1=N ZINC000473119767 EI Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)CCc2cc(Cl)ccc2N3)n1 ZINC000473120495 EI Annotated Anodyne CCCCn1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473122079 EI Annotated Mild COc1cc2c(cc1-c1c(C)noc1C)C(C)(C)C(=O)C(C)(C)N2 ZINC000473122155 EI Annotated Anodyne CCCCCc1cc2c(Cc3ccc(CN)cc3)cccc2[nH]c1=N ZINC000473122489 EI Annotated Anodyne C/C=C1/C[N@@+]2(CCl)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 ZINC000473123202 EI Annotated Reactive C/C=C1/C[N@+]2(CCl)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 ZINC000473123205 EI Annotated Reactive Cc1ccc(N(Cc2nn[nH]n2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000473123914 EI Annotated Anodyne CC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 ZINC000473124120 EI Annotated Anodyne Cc1nn2c(-c3nc4ccc(F)cc4[nH]3)c(-c3ccccc3)nc2s1 ZINC000473124763 EI Annotated Anodyne C=CCc1ccc(Oc2cc([C@H](O)C=C)cc(OC)c2O)c(OC)c1 ZINC000473125551 EI Annotated Mild CCCCCc1cc2c(Cc3ccccc3CN)cccc2[nH]c1=N ZINC000473126220 EI Annotated Anodyne O=C(NCCCCCCn1ccc2ccccc21)Oc1cccnc1 ZINC000473127350 EI Annotated Anodyne COc1cc(-c2ccccc2)cc2c1OCCN(Cc1cccnc1)C2 ZINC000473130568 EI Annotated Anodyne C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)[C@@H](CC#N)C3=O ZINC000473130647 EI Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)[C@H](CC#N)C3=O ZINC000473130655 EI Annotated Mild C=C1C(=O)[C@@]23CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OC)[C@@H]2CC[C@H]1C3 ZINC000473132704 EI Annotated Mild Nc1cccc(Nc2ncc(C(=O)c3ccccc3Cl)s2)c1F ZINC000473133410 EI Annotated Anodyne Cn1cnc2ccc(-c3noc(-c4ccc5ccccc5c4)n3)cc21 ZINC000473134082 EI Annotated Anodyne COc1ccc(Nc2c(-c3cccc(O)c3)nc3ccccn23)cc1 ZINC000473135242 EI Annotated Anodyne C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000473135259 EI Annotated Mild CC(C)(O)c1cc2c3c(ccc2o1)C(=O)C[C@@H](c1ccc(O)cc1)O3 ZINC000473136170 EI Annotated Anodyne Oc1cc(OCCOc2ccc(-n3cccc3)cc2)ccc1Cl ZINC000473136178 EI Annotated Anodyne Clc1ccc(CN=c2nc3c(c[nH]2)CSc2ccccc2-3)cc1 ZINC000473145101 EI Annotated Anodyne CCOC(=O)Nc1ccc(Oc2ncnc3sccc23)cc1C ZINC000473145368 EI Annotated Anodyne Clc1ccc2c(c1)SCc1c[nH]c(=NCc3ccccc3)nc1-2 ZINC000473145451 EI Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@H](C)OC(=O)[C@H](C)CC)=CC[C@H]12 ZINC000473145629 EI Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@@H](C)OC(=O)[C@H](C)CC)=CC[C@H]12 ZINC000473145674 EI Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@H](C)OC(=O)[C@@H](C)CC)=CC[C@H]12 ZINC000473145679 EI Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@@H](C)OC(=O)[C@@H](C)CC)=CC[C@H]12 ZINC000473145683 EI Annotated Mild COc1ccc(-c2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1 ZINC000473149182 EI Annotated Anodyne CC[C@H]1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(C)C1=O ZINC000473149647 EI Annotated Mild CC[C@@H]1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(C)C1=O ZINC000473149649 EI Annotated Mild Oc1ccc(C2=Cc3cc(CN4CCCCC4)c(O)cc3OC2)cc1 ZINC000473150178 EI Annotated Clean Cc1cc(NCc2ccccn2)n2nc(C)c(Nc3ccccc3)c2n1 ZINC000473151281 EI Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3C)c2n1 ZINC000473151845 EI Annotated Anodyne Fc1ccc2nc(-c3c(-c4ccccc4)nc4ncccn34)[nH]c2c1 ZINC000473151850 EI Annotated Anodyne Cc1ccc2nc(-c3c(-c4ccccc4)nc4ncccn34)[nH]c2c1 ZINC000473151870 EI Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3c(C)cccc3C)c2n1 ZINC000473151892 EI Annotated Anodyne NC(CO)(CO)CCCCCCCCCCCCCCC(F)F ZINC000473154228 EI Annotated Anodyne Cc1cc(NCCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473154563 EI Annotated Anodyne Oc1ccc(C(c2ccc(O)cc2)C2CCC3(CC2)OCCO3)cc1 ZINC000473154682 EI Annotated Anodyne Cc1cc(NCc2ccncc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473154927 EI Annotated Anodyne Cc1cc(NCc2nccs2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473155216 EI Annotated Anodyne Cc1cc(NCc2ccc(F)cn2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473167353 EI Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(F)cc3C)c2n1 ZINC000473169315 EI Annotated Anodyne CC(C)(C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2F)cn1 ZINC000473172593 EI Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3O)cc2F)cn1 ZINC000473179758 EI Annotated Anodyne COc1ccc2c(c1)Oc1cc(N)c(C#N)c(N)c1[C@H]2c1ccccc1 ZINC000473244404 EI Annotated Mild COc1ccc2c(c1)Oc1cc(N)c(C#N)c(N)c1[C@@H]2c1ccccc1 ZINC000473244407 EI Annotated Mild CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccccc1O ZINC000473247205 EI Annotated Mild CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1O ZINC000473247206 EI Annotated Mild CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(O)cc1 ZINC000473247257 EI Annotated Mild CC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(O)cc1 ZINC000473247258 EI Annotated Mild O=C(NCc1ccccc1)c1csc(-c2c[nH]c3ccccc23)n1 ZINC000473247751 EI Annotated Anodyne CCOc1nn(-c2ccc(Cl)cn2)c(C)c1Cc1ccccc1 ZINC000474602212 EI Annotated Anodyne Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccccn1 ZINC000474605274 EI Annotated Anodyne CN(C)c1ccc(/C=C2\C(=O)N(c3ccncc3)c3ccccc32)cc1 ZINC000474606811 EI Annotated Clean COc1ccc2c([C@H](C)c3cccc(Cl)c3)ncnc2c1OC ZINC000474609345 EI Annotated Anodyne COc1ccc2c([C@@H](C)c3cccc(Cl)c3)ncnc2c1OC ZINC000474609346 EI Annotated Anodyne CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Cc1ccccc1 ZINC000474609356 EI Annotated Anodyne Fc1ccccc1/C=N\N=c1/cc[nH]c2ccc(C(F)(F)F)cc12 ZINC000048307235 EI Annotated Mild COc1ccc2ccccc2c1/C=N/N=c1\cc[nH]c2ccc(F)cc12 ZINC000048307242 EI Annotated Mild Fc1ccc(/C=N\N=c2/cc[nH]c3ccc(C(F)(F)F)cc23)cc1 ZINC000048307248 EI Annotated Mild COc1ccc2/c(=N\N=C/c3cccc(Cl)c3)cc(C)[nH]c2c1 ZINC000048307281 EI Annotated Mild COc1ccc2[nH]c(C)c/c(=N/N=C\c3ccccc3Cl)c2c1 ZINC000048308750 EI Annotated Mild CCOc1ccc2[nH]c(C)c/c(=N\N=C/c3ccc(Cl)cc3)c2c1 ZINC000048308753 EI Annotated Mild COc1ccc2/c(=N\N=C/c3ccccc3Cl)cc(C)[nH]c2c1 ZINC000048308799 EI Annotated Mild Fc1cccc(/C=N\N=c2/cc[nH]c3ccc(C(F)(F)F)cc23)c1 ZINC000048308869 EI Annotated Mild C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S ZINC000048642709 EI Annotated Mild O=C(Nc1ccccc1Cl)c1cnn2ccc(-n3cccc3)cc12 ZINC000048999860 EI Annotated Anodyne C=CCO[C@@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C ZINC000049019060 EI Annotated Mild C[C@]1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1 ZINC000049021069 EI Annotated Anodyne C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1 ZINC000049021072 EI Annotated Anodyne Cc1c(-c2ccnc(N)n2)sc2ccc([C@H](N)CC(C)C)cc12 ZINC000049035470 EI Annotated Anodyne Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H](N)CC(C)C)cc12 ZINC000049035472 EI Annotated Anodyne Cc1c(-c2ccnc(N)n2)sc2ccc([C@H](N)c3ccccc3)cc12 ZINC000049036132 EI Annotated Anodyne Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H](N)c3ccccc3)cc12 ZINC000049036134 EI Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2CC/C=C(/C=O)CC=O ZINC000049045222 EI Annotated Reactive CC1(C)C(=O)C=C[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O ZINC000049048491 EI Annotated Mild COc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NCC2 ZINC000049049277 EI Annotated Anodyne CC[C@]12CCC[N+]3([O-])CCc4c(n(c5ccccc45)[C@H](OC)C1)[C@H]23 ZINC000049050245 EI Annotated Bother S=c1oc(Cc2cccc3ccccc23)nn1CN1CCCC1 ZINC000049051636 EI Annotated Anodyne Oc1ccc(CNCc2cccc(C(F)(F)F)c2)c2cccnc12 ZINC000049052488 EI Annotated Anodyne CC1=NN(C(=S)SCc2ccccc2)[C@](O)(c2ccccc2)C1 ZINC000049053474 EI Annotated Anodyne CC1=NN(C(=S)SCc2ccccc2)[C@@](O)(c2ccccc2)C1 ZINC000049053477 EI Annotated Anodyne CC(C)=C[C@@H]1C/C(=C\CC/C(C)=C/CCC2=CC(=O)OC2)C(=O)O1 ZINC000049053762 EI Annotated Anodyne Nc1cc(Cc2ccccc2)nc(SCCCc2ccccc2)n1 ZINC000049053871 EI Annotated Anodyne CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccnc2ccccc12 ZINC000049066605 EI Annotated Reactive CC(C)=CCOC1=C(CC=C(C)C)C(=O)c2c(O)cccc2C1=O ZINC000049067287 EI Annotated Mild CC(C)Oc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1 ZINC000049067645 EI Annotated Anodyne Oc1ccc(-c2ccnn2-c2ccc(C(F)(F)F)cc2)c(F)c1O ZINC000049068413 EI Annotated Clean Fc1ccccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 ZINC000049069122 EI Annotated Mild C=C[C@H](OC(=O)NC(C)(C)C)c1ccc(OC(=O)NC(C)(C)C)cc1 ZINC000049069641 EI Annotated Mild Cc1cc(-c2ccncc2)cc2[nH]c([C@@H]3COc4ccccc4O3)nc12 ZINC000049070365 EI Annotated Anodyne Cc1cc(-c2ccncc2)cc2nc([C@H]3COc4ccccc4O3)[nH]c12 ZINC000049070367 EI Annotated Anodyne Cn1c([C@@H]2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21 ZINC000049070826 EI Annotated Anodyne Cn1c([C@H]2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21 ZINC000049070828 EI Annotated Anodyne Cn1c([C@@H]2COc3ccccc3O2)nc2cc(-c3ccncc3)ccc21 ZINC000049070852 EI Annotated Anodyne Cn1c([C@H]2COc3ccccc3O2)nc2cc(-c3ccncc3)ccc21 ZINC000049070854 EI Annotated Anodyne COCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1 ZINC000049072165 EI Annotated Anodyne CCn1nc(-c2ccccc2)c(C#N)c1/C=C/c1ccccc1C(=O)O ZINC000049073256 EI Annotated Mild COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1 ZINC000049110002 EI Annotated Anodyne CC(C)(C)c1ccc(OC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000049111419 EI Annotated Anodyne CC(C)(C)c1ccc(OC[C@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000049111421 EI Annotated Anodyne O=[P@@]1(O)OC(c2ccccc2)=C(Cl)c2ccc(Cl)cc21 ZINC000049111536 EI Annotated Anodyne Cc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1 ZINC000049111560 EI Annotated Anodyne CC(C)c1csc(-c2nnc3sc(-c4ccccc4)nn23)n1 ZINC000049112303 EI Annotated Anodyne N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000049112653 EI Annotated Reactive CN(C(=O)CC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 ZINC000049113092 EI Annotated Anodyne O=C1O[C@@H](COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1 ZINC000049113367 EI Annotated Anodyne O=C1O[C@H](COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1 ZINC000049113369 EI Annotated Anodyne Cc1ccc(/C=N/n2c(S)nnc2-c2nc(C(C)C)cs2)cc1 ZINC000049113403 EI Annotated Mild CSc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 ZINC000049113508 EI Annotated Reactive C[C@]1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 ZINC000049709618 EI Annotated Reactive C[C@@]1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 ZINC000049709622 EI Annotated Reactive CSc1ccc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc1 ZINC000049710467 EI Annotated Reactive CSc1ccc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc1 ZINC000049710469 EI Annotated Reactive CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C(O)=C(C=O)[C@@H]2/C=C/c1ccoc1 ZINC000049722836 EI Annotated Reactive CCCCCCCCOC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 ZINC000049723040 EI Annotated Reactive C=C(CO)[C@@H]1CC[C@@](C)(OO)/C=C/C/C(C)=C/CC/C(C)=C/[C@@H]1O ZINC000049723067 EI Annotated Reactive CCCCCCCCCN1CCN2CCc3cc(O)c(O)cc3[C@@H]2C1 ZINC000049761856 EI Annotated Mild CCCCCCCCCN1CC(=O)N2CCc3ccc(F)cc3[C@H]2C1 ZINC000049763272 EI Annotated Mild CCCCCCCCCN1CC(=O)N2CCc3ccc(F)cc3[C@@H]2C1 ZINC000049763274 EI Annotated Mild CCCCC1=C[C@H](C2=NO[C@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 ZINC000049766310 EI Annotated Anodyne CCCCC1=C[C@H](C2=NO[C@@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 ZINC000049766314 EI Annotated Anodyne Oc1ccc(/N=C(/Cc2ccc(F)cc2)c2ccc(O)cc2O)cc1 ZINC000049777337 EI Annotated Mild Oc1ccc(/N=C(/Cc2ccc(F)cc2)c2ccc(O)c(O)c2)cc1 ZINC000049777866 EI Annotated Mild N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000049783677 EI Annotated Reactive S=C(N/N=C/c1ccc2ccccc2n1)Nc1ccc(Cl)cc1 ZINC000049784533 EI Annotated Mild CC1=C(c2nccs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000049784777 EI Annotated Reactive COCc1c(OC)cc(=O)oc1/C=C/c1c(Cl)cccc1Cl ZINC000049785366 EI Annotated Anodyne CCCO[C@@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C ZINC000049793170 EI Annotated Anodyne CCCN(CCCc1ccc([N+](=O)[O-])cc1)CCc1ccc(N)cc1 ZINC000049802926 EI Annotated Clean O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1CCCCC1 ZINC000049802952 EI Annotated Anodyne COc1ccc2cc(C(=O)[C@H]3CN=C4C=C(C)C=C(C)N4C3)ccc2c1 ZINC000049803292 EI Annotated Anodyne COc1ccc2cc(C(=O)[C@@H]3CN=C4C=C(C)C=C(C)N4C3)ccc2c1 ZINC000049803293 EI Annotated Anodyne CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(O)cc4)cc3)CN2C=C1 ZINC000049803381 EI Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(O)cc4)cc3)CN2C=C1 ZINC000049803382 EI Annotated Anodyne CCc1ccc(C2=NN(Cn3ccc4ccccc43)C(=O)CC2)cc1 ZINC000049803445 EI Annotated Anodyne CC/C=C(C)/C=C/CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 ZINC000049807580 EI Annotated Reactive Cn1c2ccccc2c2cc3c(cc21)OCN(Cc1ccccn1)C3 ZINC000049807833 EI Annotated Anodyne O=C1CCC(c2ccc(Cl)cc2)=NN1Cn1ccc2ccccc21 ZINC000049807892 EI Annotated Anodyne CCOC(=O)c1cc2c([nH]c3ccccc32)c(C)[n+]1Cc1ccccc1 ZINC000049808553 EI Annotated Anodyne Cn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3 ZINC000049808592 EI Annotated Anodyne CSc1ccc(CC(Cc2ccc(SC)cc2)NC=O)cc1 ZINC000049808606 EI Annotated Anodyne O=C1c2ccccc2N[C@@H](c2ccccc2)N1/N=C/c1ccc(F)cc1 ZINC000049823375 EI Annotated Mild O=C1c2ccccc2N[C@H](c2ccccc2)N1/N=C/c1ccc(F)cc1 ZINC000049823376 EI Annotated Mild COC(=O)C[C@@H]1OO[C@@](C)(/C(C)=C/C=C/Cc2ccccc2)C[C@H]1C ZINC000049853722 EI Annotated Reactive CCCCCCCNC1=NC(C)(C)N=C(NCCCCCCC)N1 ZINC000049867646 EI Annotated Mild CCCCCCCCCCCCNC1=NC(C)(C)N=C(NCC)N1 ZINC000049867785 EI Annotated Mild CCCCCCCCNC1=NC(C)(C)NC(Nc2ccccc2)=N1 ZINC000049872063 EI Annotated Mild C=C1CC[C@H](OO)C(=C)CCC2=C(C(C)C)C(=O)C[C@]2(C)CC1=O ZINC000049889458 EI Annotated Reactive CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C ZINC000000518317 EI Annotated Anodyne COc1ccc(Nc2nc(C)nc3sc4c(c23)CCC4)c(OC)c1 ZINC000000753806 EI Annotated Anodyne COC(=O)Cc1nc(NC2CCCCCC2)c2c(C)c(C)sc2n1 ZINC000000753826 EI Annotated Anodyne Cc1nc(Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 ZINC000000753850 EI Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000000767773 EI Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000000767775 EI Annotated Anodyne CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000000773764 EI Annotated Anodyne CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773864 EI Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC(C)C)cc1 ZINC000000774356 EI Annotated Anodyne CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775452 EI Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCC1 ZINC000000775597 EI Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC(C)C ZINC000000775933 EI Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCc1ccccc1F ZINC000000776218 EI Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](C)C(C)C ZINC000000776231 EI Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](C)C(C)C ZINC000000776232 EI Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)C ZINC000000776258 EI Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)cc1 ZINC000000776278 EI Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)C ZINC000000776334 EI Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCC(C)C ZINC000000776336 EI Annotated Anodyne S=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCCC2 ZINC000000900657 EI Annotated Anodyne in-vitro Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)o1 ZINC000000925490 EI Annotated Anodyne Oc1ccccc1-c1nc(-c2ccccc2O)n(-c2ccccc2)n1 ZINC000000967863 EI Annotated Anodyne in-vitro COc1cc(N/N=C(\C)c2ccc(O)c(C)c2)nc(-c2ccccc2)n1 ZINC000005003454 EI Annotated Mild CC(=O)Nc1sc(NN=Cc2ccccc2)nc1-c1cccs1 ZINC000005024377 EI Annotated Anodyne aggregator O=C1Nc2ccccc2N(O)N1c1cc(-c2cccc(Cl)c2)no1 ZINC000005047722 EI Annotated Anodyne aggregator Cc1cc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)no1 ZINC000005048073 EI Annotated Anodyne Cc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)o1 ZINC000005049265 EI Annotated Anodyne CC1=C(C(=O)Nc2cc(C)cc(C)c2)C2(CCC(C)CC2)OC1=O ZINC000005058753 EI Annotated Anodyne CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2 ZINC000005058756 EI Annotated Anodyne CN(CCCNC(=O)c1csc2c1CCCC2)C1CCCCC1 ZINC000005070127 EI Annotated Anodyne Clc1ccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1 ZINC000005072209 EI Annotated Mild Cn1c(N/N=C/c2cc3ccccc3nc2Cl)nc2ccccc21 ZINC000005072500 EI Annotated Mild CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000005100962 EI Annotated Mild CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000005100964 EI Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O ZINC000005114385 EI Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C ZINC000005132572 EI Annotated Anodyne O=c1c(N2CCc3ccccc3C2)csc2ccc(Cl)cc12 ZINC000005202490 EI Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(/C)CC[C@@H]12 ZINC000005371366 EI Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(/C)CC[C@H]12 ZINC000005371368 EI Annotated Mild Cc1cc(C)c2c(c1)/C(=N/NC(=S)NC1CCCCC1)CCC2 ZINC000005414921 EI Annotated Mild C=C1CC=CC(C)(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O ZINC000005437573 EI Annotated Reactive in-vitro COc1cc(/C=N/OCCOc2ccc(C)cc2)cc(Cl)c1OC ZINC000005470549 EI Annotated Mild CCOc1ccc(NC[C@@H]2CC/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000005499901 EI Annotated Mild CC[C@]1(C)C=Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000005499975 EI Annotated Bother COc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000051023595 EI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=C[C@@H](O)[C@@H]1C3 ZINC000523041606 EI Annotated Mild CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000523042011 EI Annotated Anodyne biogenic CC(=O)O[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@]4(C)O ZINC000523042171 EI Annotated Anodyne biogenic CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3 ZINC000523042174 EI Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@@H](C)CC)CC/C=C(\C)CC[C@@H]12 ZINC000523042202 EI Annotated Mild COC(=O)C1=C(C)N(c2ccccc2)C=C[C@H]1c1ccc(OC)cc1 ZINC000052566322 EI Annotated Anodyne COC(=O)C1=C(C)N(c2ccccc2)C=C[C@@H]1c1ccc(OC)cc1 ZINC000052566323 EI Annotated Anodyne C[C@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)O ZINC000053044816 EI Annotated Clean C[C@@H](Nc1ccccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)O ZINC000053044819 EI Annotated Clean N#Cc1ccc(/N=c2/nc(Oc3ccccc3)c3ccccc3[nH]2)cc1 ZINC000053276580 EI Annotated Mild O=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12 ZINC000053297420 EI Annotated Anodyne Cc1cccc(C)c1NC(=O)CSC[C@@H]1CCCN2CCCC[C@H]12 ZINC000053313486 EI Annotated Anodyne COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3 ZINC000005538076 EI Annotated Anodyne Cc1cc(OCC(=O)NNc2ccccc2)c(C(C)C)cc1Cl ZINC000005538789 EI Annotated Reactive O=c1[nH]c(C23CC4CC(CC(C4)C2)C3)cc2c1c(=O)oc1ccccc12 ZINC000005544450 EI Annotated Bother O=[N+]([O-])c1cc([C@H]2SCc3nc4ccccc4n32)ccc1Cl ZINC000005545935 EI Annotated Bother O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1SCc2nc3ccccc3n21 ZINC000005545936 EI Annotated Bother CC[C@@]1(C)C=Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000005549386 EI Annotated Bother COC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12 ZINC000005549883 EI Annotated Bother C[C@@H]1C[C@]2(C)C(=O)N(c3ccccc3)C(=N)[C@@H]2N(C)c2ccccc21 ZINC000005550900 EI Annotated Anodyne C[C@H]1C[C@]2(C)C(=O)N(c3ccccc3)C(=N)[C@@H]2N(C)c2ccccc21 ZINC000005551624 EI Annotated Anodyne COc1c(C)c2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2 ZINC000005552267 EI Annotated Bother C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 ZINC000005566264 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000005566271 EI Annotated Anodyne COc1cc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)ccc1O ZINC000005574160 EI Annotated Reactive COc1cc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)ccc1O ZINC000005574165 EI Annotated Reactive COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCC1)O2 ZINC000005579993 EI Annotated Bother O=C(c1ccccc1)[C@H]1Nc2cnccc2[C@@H]2c3ccccc3C[C@@H]12 ZINC000005582020 EI Annotated Anodyne O=C(c1ccccc1)[C@H]1Nc2cnccc2[C@@H]2c3ccccc3C[C@H]12 ZINC000005582026 EI Annotated Anodyne O=S1(=O)c2ccccc2[C@H](Nc2ccccc2)N1c1ccccc1 ZINC000005593474 EI Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]2Cc3ccc(N)cc3[C@@]1(C)c1ccccc12 ZINC000005596352 EI Annotated Anodyne c1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 ZINC000005596426 EI Annotated Anodyne Clc1c(Cl)c(Cl)c2c(nnn2[C@@H]2CCCO2)c1Cl ZINC000005600397 EI Annotated Anodyne Clc1c(Cl)c(Cl)c2nn([C@@H]3CCCO3)nc2c1Cl ZINC000005600398 EI Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)O)c(o2)C1 ZINC000005601363 EI Annotated Mild COc1cccc(NC(=S)N/N=C2/CCCCc3ccccc32)c1 ZINC000005691872 EI Annotated Mild CCN(CC)CCC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 ZINC000005722581 EI Annotated Anodyne COc1ccc(/N=N\c2c(-c3ccc(OC)cc3)noc2O)cc1 ZINC000005729799 EI Annotated Clean CC(C)OP(=O)(OC(C)C)/C(F)=N/Nc1ccc([N+](=O)[O-])cc1 ZINC000005732853 EI Annotated Mild COc1cc2c(ccc3c4cc(OC)c(OC)cc4cnc23)cc1O ZINC000005733046 EI Annotated Bother COC1=CC(=O)c2ccc(C(C)C)cc2[C@]1(C)C1=NC(C)(C)CO1 ZINC000005733767 EI Annotated Mild CCOc1ccc(NC[C@H]2CC/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000005741462 EI Annotated Mild CC1(C)COC([C@]2(C)C(=O)C=C(c3ccccc3)c3ccccc32)=N1 ZINC000005741549 EI Annotated Mild CC1=C2CCCC2=C/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000005757556 EI Annotated Mild O=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccccc2)c1Cl ZINC000005772400 EI Annotated Mild COc1c(C(C)(C)C)cc(CC2C(=O)C=CC2=O)cc1C(C)(C)C ZINC000005801219 EI Annotated Mild c1ccc(C/C(=N\Nc2nc3ccccc3[nH]2)c2ccccn2)cc1 ZINC000005801256 EI Annotated Mild C=C(CN(CC)CC)[C@]1(c2ccccc2)CC2(CCCC2)C(=O)O1 ZINC000005807569 EI Annotated Mild C=C1CC[C@@H]2[C@@H](CC[C@@H]3[C@@](C)(C(=O)OC)CCC[C@@]32C)[C@@H]1CCO ZINC000005808245 EI Annotated Mild C=C(C(=O)OC)[C@H]1CC/C(C)=C\CC[C@@](C)(O)/C=C/C[C@@]2(C)O[C@@H]2C1 ZINC000005831600 EI Annotated Mild C=C(C(=O)O)[C@@H]1C[C@@H]2O[C@H]1C/C(C)=C/CC/C(C)=C\CC[C@@]2(C)O ZINC000005831622 EI Annotated Mild COC(=O)[C@H]1CO[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@]3(C)O[C@@H]3C[C@H]21 ZINC000005831675 EI Annotated Anodyne C1=C(c2ccccc2)NC2=N[C@H]3CCCC[C@@H]3N2[C@@H]1c1ccccc1 ZINC000005832788 EI Annotated Anodyne C1=C(c2ccccc2)NC2=N[C@H]3CCCC[C@@H]3N2[C@H]1c1ccccc1 ZINC000005832794 EI Annotated Anodyne COc1cc2c(cc1OC)C(Cc1ccccc1CCCl)=NCC2 ZINC000005836272 EI Annotated Reactive CCCCNc1cccc(S(=O)(=O)c2cc(C)cc(C)c2)c1C#N ZINC000005838054 EI Annotated Mild Cc1cc(O)c(C=O)c(C)c1CC[C@]1(C)C=Cc2cc(O)ccc2O1 ZINC000005842270 EI Annotated Anodyne O=C1CCC(c2ccc(Cl)cc2)=NN1c1nsc2ccccc12 ZINC000005844078 EI Annotated Anodyne O[C@]12CC[C@@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 ZINC000005847207 EI Annotated Anodyne O[C@@]12CC[C@@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 ZINC000005847220 EI Annotated Anodyne CN1C(=O)c2ccccc2O[C@]12C=Cc1c(ccc3ccccc13)O2 ZINC000005848338 EI Annotated Anodyne C[n+]1c(-c2ccccc2)cc2/c(=C/c3ccccc3)c3ccccc3n21 ZINC000005850827 EI Annotated Anodyne O=[N+]([O-])c1ccc(Cl)cc1N/N=C/c1ccnc2ccccc12 ZINC000005852699 EI Annotated Mild O=[N+]([O-])c1ccc(Cl)cc1N/N=C/c1cccc2cccnc12 ZINC000005852701 EI Annotated Mild COc1ccc(/C=N/N=c2\cc[nH]c3ccccc23)c2ccccc12 ZINC000005853777 EI Annotated Mild CC(C)=CCO[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(F)c(F)c21 ZINC000005854245 EI Annotated Anodyne CC(C)=CCO[C@]1(C(F)(F)F)OC(=O)Nc2ccc(F)c(F)c21 ZINC000005854266 EI Annotated Anodyne CN(/N=C/c1ccnc2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005854667 EI Annotated Mild CN(/N=C/c1cccc2cccnc12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005854670 EI Annotated Mild CCOP(=S)(OCC)O[C@H](Cl)C(Cl)(Cl)Cl ZINC000005860119 EI Annotated Reactive in-vitro CCOP(=S)(OCC)O[C@@H](Cl)C(Cl)(Cl)Cl ZINC000005860121 EI Annotated Reactive in-vitro CCCN(C)c1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O ZINC000005883254 EI Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(CC)CC)c1Cc1cc(C)cc(C)c1 ZINC000005886206 EI Annotated Anodyne CCc1c(C)[nH]c(=O)c(N2CCCCC2)c1Cc1cc(C)cc(C)c1 ZINC000005886215 EI Annotated Anodyne CCOC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O ZINC000005886230 EI Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(Cl)cc(Cl)c1 ZINC000005886260 EI Annotated Anodyne CN1CCC[C@@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005890160 EI Annotated Anodyne Cc1c(CSc2ccccc2)nc(SC2CCCC2)[nH]c1=O ZINC000005890999 EI Annotated Anodyne Cc1c(CCc2ccccc2)nc(SC2CCCCC2)[nH]c1=O ZINC000005891023 EI Annotated Anodyne Cc1c([C@@H](C)c2c(F)cccc2F)nc(SCC(C)C)[nH]c1=O ZINC000005891065 EI Annotated Anodyne Cc1c([C@H](C)c2c(F)cccc2F)nc(SCC(C)C)[nH]c1=O ZINC000005891068 EI Annotated Anodyne Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1-c1ccccc1 ZINC000005891327 EI Annotated Anodyne Cc1nc(CCCCCOC(=O)C2CCCC2)n2nc(Cl)ccc12 ZINC000005891791 EI Annotated Anodyne Cc1cc(C)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]1 ZINC000005891914 EI Annotated Anodyne Cc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C ZINC000005891916 EI Annotated Anodyne Cc1cc(C)cc(Cc2c(CC(C)C)c(C)[nH]c(=O)c2N(C)C)c1 ZINC000005892007 EI Annotated Anodyne C#C/C=C/C[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1Cl ZINC000005923154 EI Annotated Reactive C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C)c(o2)[C@H]1O ZINC000005924214 EI Annotated Mild C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\c3cc(C)c(o3)[C@H]1O)OC2=O ZINC000005924216 EI Annotated Mild Cc1ccccc1/N=N/c1ccc(N/N=C2/CCCNC2=O)c(C)c1 ZINC000005924340 EI Annotated Mild Fc1ccc2c(c1)SC1=Nc3sc4cc(F)ccc4[n+]3CN12 ZINC000005933647 EI Annotated Anodyne O=C(c1cccc(Cc2ccccc2)c1)c1oc2cccnc2c1O ZINC000005934294 EI Annotated Anodyne C/C(=N\Nc1nncc2ccccc12)c1cccc(OC(F)F)c1 ZINC000005937853 EI Annotated Mild CNc1ccc(/C=C2\CSc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000005939735 EI Annotated Mild O[C@@H](c1cc2ccccc2[nH]1)C1(c2cccnc2)SCCCS1 ZINC000005939966 EI Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC ZINC000005957115 EI Annotated Anodyne COC(=O)/C=C(\C(=O)OC)c1cc(C)c2cc(C(C)C)ccc(C)c1-2 ZINC000005957241 EI Annotated Anodyne CC(C)C#C[C@@]1(C(F)(F)F)NC(=O)Nc2ccc(F)c(Cl)c21 ZINC000005962445 EI Annotated Mild CC(C)C#C[C@]1(C(F)(F)F)NC(=O)Nc2ccc(F)c(Cl)c21 ZINC000005962452 EI Annotated Mild COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCC(C)C)cc3O[C@@H]21 ZINC000005962710 EI Annotated Anodyne COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCC(C)C)cc3O[C@H]21 ZINC000005962711 EI Annotated Anodyne COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCC(C)C)cc3O[C@@H]21 ZINC000005962712 EI Annotated Anodyne CC(C)=CCN1CCn2c(=O)[nH]c3cc(Cl)cc(c32)[C@H]1CC(C)C ZINC000005962806 EI Annotated Anodyne CC(C)=CCN1CCn2c(=O)[nH]c3cc(Cl)cc(c32)[C@@H]1CC(C)C ZINC000005962856 EI Annotated Anodyne O=C(C(=C1SCCCS1)n1ccnc1)c1ccc(Cl)cc1 ZINC000005974069 EI Annotated Mild O=c1cc(CSc2ccccc2)nc(SC2CCCCC2)[nH]1 ZINC000005974658 EI Annotated Anodyne O=c1[nH]nc(-c2ccccc2)c2[nH]c3c(c12)CCCc1ccccc1-3 ZINC000005974730 EI Annotated Anodyne CC(C)c1csc(CN2CCC(CO)(Cc3ccccc3)CC2)n1 ZINC000055072085 EI Annotated Anodyne CN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 ZINC000055669664 EI Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000057530995 EI Annotated Mild CSc1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047383 EI Annotated Anodyne CSc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047390 EI Annotated Anodyne Cc1ccccc1[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN21 ZINC000058047565 EI Annotated Anodyne Cc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN12 ZINC000058047571 EI Annotated Anodyne COc1ccc(C2(c3cc(-c4sc(C)nc4C)[nH]n3)CC2)cc1 ZINC000584904761 EI Annotated Anodyne C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1 ZINC000584904840 EI Annotated Anodyne Cc1c(Sc2cccc3ccccc23)sc2nc(=N)[nH]c(N)c12 ZINC000584905189 EI Annotated Anodyne COc1cc([C@H](C)NC(=O)Nc2ccccc2)ccc1-c1cnco1 ZINC000584905513 EI Annotated Anodyne CCCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 ZINC000058500024 EI Annotated Anodyne CCCN1CCN(CCC)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 ZINC000058500152 EI Annotated Anodyne CCCCN1CCN(CC)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 ZINC000058501974 EI Annotated Anodyne CCCCC#CC#C/C=C/CCCCCC[C@H](O)C(=O)OC(C)C ZINC000058506177 EI Annotated Mild C[C@@H]1CC(=O)C2=C(C1)Oc1ccccc1[C@H]2C1=C(O)C[C@@H](C)CC1=O ZINC000058537936 EI Annotated Mild O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@H]1Cl ZINC000058566809 EI Annotated Reactive CC1=C(C#N)[C@@](C)(c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000058568424 EI Annotated Reactive N#Cc1c(Cl)nc(N2C3CCC2CC3)c(C#N)c1-c1ccccc1 ZINC000058568624 EI Annotated Mild Cc1cc(C)c2nc(C3(c4ccccc4)CC3)c(O)c(C(=O)O)c2c1 ZINC000058569282 EI Annotated Anodyne COc1c(-c2ccc(C(F)(F)F)cc2)oc2ccc(N)cc2c1=O ZINC000058569340 EI Annotated Anodyne COc1c(-c2cccc(C(F)(F)F)c2)oc2ccc(N)cc2c1=O ZINC000058574891 EI Annotated Anodyne O=C(Nc1ccccc1)N1OC[C@H]2CSc3ccc(F)cc3[C@@H]21 ZINC000058583176 EI Annotated Anodyne Fc1ccc([C@@H]2OO[C@@H]3CCC[C@](c4ccccc4)(OO2)O3)cc1 ZINC000058590395 EI Annotated Reactive O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccccc1 ZINC000058592442 EI Annotated Anodyne Cc1cc(Cl)cc(C)c1OCCCN1C(=O)c2ccccc2C1=O ZINC000058592501 EI Annotated Anodyne O=C(O)c1sc(-c2ccccc2)cc1-c1cnnn1-c1ccccc1 ZINC000058598961 EI Annotated Anodyne COc1ccc(CON=C2c3ccccc3C(=O)c3ccccc32)cc1 ZINC000058603507 EI Annotated Mild NC(=O)c1c(Cl)c(Cl)c2nc3ccccc3c(O)c2c1Cl ZINC000058603697 EI Annotated Bother O=C(NCc1ccc(Oc2ccccc2)s1)c1cnc2[nH]ccc2c1 ZINC000058608255 EI Annotated Anodyne Fc1ccc([C@]23CCC[C@H](OO[C@@H](C4CCCCC4)OO2)O3)cc1 ZINC000058608771 EI Annotated Reactive C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](OC2CCCCCCCCCCC2)O1 ZINC000058632974 EI Annotated Anodyne Cc1ccccc1-c1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 ZINC000058633489 EI Annotated Anodyne Nc1ncc(-c2sccc2C2CC2)nc1C1CCC(C(=O)O)CC1 ZINC000058638579 EI Annotated Anodyne CCCN1CN(CCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 ZINC000058640600 EI Annotated Anodyne CCCC/C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000058650033 EI Annotated Anodyne S=C(N/N=C/c1cc2ccccc2nc1Cl)NC1CCCCC1 ZINC000058654919 EI Annotated Mild C#CCC1(c2nc3c(F)cnc(Br)c3[nH]2)CCCCC1 ZINC000586877519 EI Annotated Mild CCCC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC1 ZINC000586877521 EI Annotated Bother C#CCC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCCCC1 ZINC000586877523 EI Annotated Mild CCCC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCC1 ZINC000586877533 EI Annotated Anodyne C#CCC1(c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)CCCCC1 ZINC000586877537 EI Annotated Mild CCCC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC1 ZINC000586877591 EI Annotated Bother C#CCC1(c2nc3cc(Br)c(C)nc3[nH]2)CCCCC1 ZINC000586877608 EI Annotated Mild CCCC1(c2nc3cccc(I)c3[nH]2)CCC1 ZINC000586877702 EI Annotated Anodyne C#CCC1(c2nc3c(C)c(Br)cnc3[nH]2)CCCCC1 ZINC000586877714 EI Annotated Mild C#CCC1(c2nc3ccc(Br)c(O)c3[nH]2)CCCCC1 ZINC000586877804 EI Annotated Mild Cc1cc2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2cc1[N+](=O)[O-] ZINC000586877806 EI Annotated Bother C#CCC1(c2nc3cc(C#N)cc(Br)c3[nH]2)CCCCC1 ZINC000586877820 EI Annotated Mild CCCC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCC1 ZINC000586877821 EI Annotated Anodyne CCCC1(c2nc3ccc(I)cc3[nH]2)CCC1 ZINC000586877939 EI Annotated Anodyne Cc1cc(-c2nc3ncc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878199 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586878447 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586878450 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586878461 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586878462 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586878463 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586878465 EI Annotated Anodyne COC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2n1 ZINC000586878805 EI Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c(C)cccc3-c3ccccc3)nc12 ZINC000586878902 EI Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586879532 EI Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586880078 EI Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586880225 EI Annotated Anodyne C#Cc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586880494 EI Annotated Mild CC(=O)c1ccc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cc1 ZINC000586880585 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586880783 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586880784 EI Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c32)n1 ZINC000586880830 EI Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c32)n1 ZINC000586880839 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586880867 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586880872 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586880911 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586880914 EI Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccnc3[nH]2)c1 ZINC000586880923 EI Annotated Anodyne C#Cc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586880989 EI Annotated Mild CC(=O)c1ccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 ZINC000586881192 EI Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000586881260 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586881281 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586881282 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586881392 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586881393 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586881412 EI Annotated Anodyne C=CCc1cccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c12 ZINC000586881444 EI Annotated Mild C#Cc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586881447 EI Annotated Mild Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccnc(O)c3[nH]2)c1 ZINC000586881467 EI Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cc1 ZINC000586881487 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586881619 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586881621 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)cc2[nH]1 ZINC000586881672 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)cc2[nH]1 ZINC000586881676 EI Annotated Anodyne Brc1c[nH]c2nc(-c3ccc(C4CCC4)cc3)nc-2n1 ZINC000586881934 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586882057 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586882114 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586882315 EI Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(N)ccnc3[nH]2)c1 ZINC000586882361 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586882396 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586882441 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586882520 EI Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cccc(Br)c2[nH]1 ZINC000586882546 EI Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cccc(Br)c2[nH]1 ZINC000586882547 EI Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586882552 EI Annotated Anodyne Brc1cncc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882703 EI Annotated Anodyne Brc1cncc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882704 EI Annotated Anodyne Brc1cncc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882705 EI Annotated Anodyne Brc1cncc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882706 EI Annotated Anodyne Brc1nccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882708 EI Annotated Anodyne Brc1nccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882709 EI Annotated Anodyne Brc1nccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882710 EI Annotated Anodyne Brc1nccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586882711 EI Annotated Anodyne Brc1cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586882782 EI Annotated Anodyne Brc1cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586882783 EI Annotated Anodyne Brc1cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586882784 EI Annotated Anodyne Brc1cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586882785 EI Annotated Anodyne Fc1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 ZINC000586882871 EI Annotated Anodyne Fc1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 ZINC000586882874 EI Annotated Anodyne Fc1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 ZINC000586882876 EI Annotated Anodyne Fc1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 ZINC000586882880 EI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3=CCCC3)nc2c1 ZINC000586882957 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586883261 EI Annotated Anodyne O=C1CCC[C@H](c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586883262 EI Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 ZINC000586883281 EI Annotated Anodyne Brc1cnc(Br)c2[nH]c(C3=CCCC3)nc12 ZINC000586883299 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586883360 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586883361 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586883362 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586883363 EI Annotated Anodyne Brc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 ZINC000586883371 EI Annotated Anodyne Brc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 ZINC000586883372 EI Annotated Anodyne Brc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 ZINC000586883373 EI Annotated Anodyne Brc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 ZINC000586883376 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586883416 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586883422 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586883423 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586883424 EI Annotated Anodyne COC(=O)c1cc2nc(C3CCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586883463 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586883486 EI Annotated Anodyne O=C1CCC[C@H](c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586883487 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586883499 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586883500 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586883501 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586883502 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586883557 EI Annotated Bother O=C1CCC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586883562 EI Annotated Bother Brc1cc2nc(C3CCC3)[nH]c2cc1Br ZINC000586883643 EI Annotated Anodyne Brc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 ZINC000586883664 EI Annotated Anodyne Brc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 ZINC000586883665 EI Annotated Anodyne Brc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 ZINC000586883666 EI Annotated Anodyne Brc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 ZINC000586883669 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1F ZINC000586883695 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1F ZINC000586883699 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1F ZINC000586883701 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1F ZINC000586883702 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586883718 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586883726 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586883728 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 ZINC000586883732 EI Annotated Anodyne N#Cc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1C(F)(F)F ZINC000586883793 EI Annotated Mild N#Cc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1C(F)(F)F ZINC000586883796 EI Annotated Mild O=C1CCC[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586883861 EI Annotated Anodyne O=C1CCC[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586883862 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000586883904 EI Annotated Anodyne O=C1CCC[C@H](c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000586883906 EI Annotated Anodyne Brc1ccc(Br)c2[nH]c(C3CCC3)nc12 ZINC000586883920 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586883924 EI Annotated Anodyne O=C1CCC[C@H](c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586883925 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cc(F)c3[nH]1)C2 ZINC000586884030 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cc(F)c3[nH]1)C2 ZINC000586884039 EI Annotated Anodyne CCCCC1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000586884058 EI Annotated Anodyne COC(=O)c1ccc2nc(-c3c(C)ccc4ccccc34)[nH]c2c1OC ZINC000586884067 EI Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586884153 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 ZINC000586884232 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 ZINC000586884234 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 ZINC000586884236 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 ZINC000586884240 EI Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(C)ccc4ccccc34)nc2cc1OC ZINC000586884265 EI Annotated Anodyne Cc1nc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1Br ZINC000586884509 EI Annotated Anodyne Cc1nc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1Br ZINC000586884515 EI Annotated Anodyne Cc1nc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1Br ZINC000586884516 EI Annotated Anodyne Cc1nc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1Br ZINC000586884517 EI Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C3CCC3)nc2c1 ZINC000586884522 EI Annotated Anodyne FC(F)(F)Oc1cc2nc(C3CCC3)[nH]c2cc1Br ZINC000586884537 EI Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586884597 EI Annotated Anodyne Brc1nccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586884766 EI Annotated Anodyne Brc1nccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586884768 EI Annotated Anodyne Brc1nccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586884769 EI Annotated Anodyne Brc1nccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586884770 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586884794 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586884801 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C2 ZINC000586884911 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C2 ZINC000586884913 EI Annotated Anodyne Brc1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 ZINC000586885050 EI Annotated Anodyne Brc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 ZINC000586885051 EI Annotated Anodyne Brc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 ZINC000586885052 EI Annotated Anodyne Brc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 ZINC000586885054 EI Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C3CCC3)[nH]c12 ZINC000586885099 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586885106 EI Annotated Anodyne O=C1CCC[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586885107 EI Annotated Anodyne O=C1CCC[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586885123 EI Annotated Anodyne O=C1CCC[C@H](c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586885124 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2O1 ZINC000586885162 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2O1 ZINC000586885166 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3cc2O1 ZINC000586885169 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3cc2O1 ZINC000586885171 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(F)cc(Br)c3[nH]1)C2 ZINC000586885242 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(F)cc(Br)c3[nH]1)C2 ZINC000586885243 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586885408 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586885411 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586885412 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586885415 EI Annotated Anodyne Brc1ccnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885554 EI Annotated Anodyne Brc1ccnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885555 EI Annotated Anodyne Brc1ccnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885556 EI Annotated Anodyne Brc1ccnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586885557 EI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586885750 EI Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586885753 EI Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586885756 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586885758 EI Annotated Mild CC[C@@]1(C)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586885760 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586885768 EI Annotated Mild Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586885773 EI Annotated Mild Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586885775 EI Annotated Mild O=C1CCC[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000586885883 EI Annotated Bother O=C1CCC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000586885886 EI Annotated Bother Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586885923 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586885924 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586885927 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586885930 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586886095 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586886097 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586886101 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 ZINC000586886107 EI Annotated Anodyne Brc1cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586886186 EI Annotated Anodyne Brc1cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586886189 EI Annotated Anodyne Brc1cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 ZINC000586886191 EI Annotated Anodyne Brc1cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 ZINC000586886193 EI Annotated Anodyne Fc1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1-n1cccn1 ZINC000586886659 EI Annotated Anodyne Fc1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1-n1cccn1 ZINC000586886665 EI Annotated Anodyne Fc1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1-n1cccn1 ZINC000586886668 EI Annotated Anodyne Fc1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1-n1cccn1 ZINC000586886672 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586886699 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586886702 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586886704 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586886706 EI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl ZINC000586886834 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl ZINC000586886843 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl ZINC000586886849 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl ZINC000586886857 EI Annotated Bother Brc1cncc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586886993 EI Annotated Anodyne Brc1cncc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586886995 EI Annotated Anodyne Brc1cncc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586886997 EI Annotated Anodyne Brc1cncc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586887001 EI Annotated Anodyne Brc1ccnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 ZINC000586887453 EI Annotated Anodyne Brc1ccnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 ZINC000586887455 EI Annotated Anodyne Brc1ccnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 ZINC000586887457 EI Annotated Anodyne Brc1ccnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 ZINC000586887458 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586887473 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586887475 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586887479 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586887483 EI Annotated Anodyne Brc1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2n1 ZINC000586887505 EI Annotated Anodyne Brc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2n1 ZINC000586887506 EI Annotated Anodyne Brc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2n1 ZINC000586887507 EI Annotated Anodyne Brc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2n1 ZINC000586887508 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(F)c(Br)c3[nH]1)C2 ZINC000586887537 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(F)c(Br)c3[nH]1)C2 ZINC000586887539 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586887540 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586887542 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586887544 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586887546 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)c(F)c3[nH]1)C2 ZINC000586887572 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)c(F)c3[nH]1)C2 ZINC000586887573 EI Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586887830 EI Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586887838 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586887885 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586887888 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586887889 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586887891 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586887998 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586888002 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586888007 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586888010 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 ZINC000586888097 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 ZINC000586888098 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 ZINC000586888099 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 ZINC000586888100 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)c(F)cc3[nH]1)C2 ZINC000586888112 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)c(F)cc3[nH]1)C2 ZINC000586888114 EI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586888399 EI Annotated Clean CC[C@@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586888404 EI Annotated Clean CC[C@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586888405 EI Annotated Clean CC[C@@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586888406 EI Annotated Clean Cc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br ZINC000586888684 EI Annotated Anodyne Cc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br ZINC000586888685 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C2 ZINC000586888709 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C2 ZINC000586888711 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586888728 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586888729 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)C2 ZINC000586888785 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)C2 ZINC000586888787 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)C2 ZINC000586888792 EI Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)C2 ZINC000586888793 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 ZINC000586888828 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 ZINC000586888832 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586888932 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586888935 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586888939 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586888941 EI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4CCCC(=O)CC4)[nH]c3c2)cc1N ZINC000586889007 EI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4CCCC(=O)CC4)[nH]c3c2)cc1N ZINC000586889014 EI Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000586889577 EI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000586889586 EI Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000586889591 EI Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000586889594 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586889952 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586889953 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586889954 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586889955 EI Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586890472 EI Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586890479 EI Annotated Anodyne COc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Cl ZINC000586890541 EI Annotated Anodyne COc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Cl ZINC000586890545 EI Annotated Anodyne COc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Cl ZINC000586890547 EI Annotated Anodyne COc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Cl ZINC000586890548 EI Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586890615 EI Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586890617 EI Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586892772 EI Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586892775 EI Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586892776 EI Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586892777 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586893432 EI Annotated Bother Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586893438 EI Annotated Bother Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586893440 EI Annotated Bother Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586893442 EI Annotated Bother c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586893503 EI Annotated Anodyne c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586893504 EI Annotated Anodyne c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586893505 EI Annotated Anodyne c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586893506 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586893527 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586893528 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586893529 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586893530 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586894017 EI Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586894018 EI Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586894019 EI Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586894020 EI Annotated Anodyne OCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586894362 EI Annotated Anodyne N#Cc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1C#N ZINC000586894445 EI Annotated Mild COC(=O)c1cccc2nc(CCCCCCCCCCCO)[nH]c12 ZINC000586894484 EI Annotated Anodyne OCCCCCCCCCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000586894496 EI Annotated Anodyne OCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000586894550 EI Annotated Anodyne OCCCCCCCCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586894619 EI Annotated Anodyne O=C(O)c1cccc2nc(CCCCCCCCCCCO)[nH]c12 ZINC000586894644 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586894653 EI Annotated Bother N[C@@H](N=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894708 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894709 EI Annotated Anodyne O=C(O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894754 EI Annotated Anodyne COC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894790 EI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586894895 EI Annotated Anodyne OCCCCCCCCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586894905 EI Annotated Anodyne Cc1cc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c(C)n1 ZINC000586894951 EI Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(CO)c3)[nH]c2c1C ZINC000586894982 EI Annotated Anodyne O=C(O)c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586894990 EI Annotated Anodyne OCc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586894996 EI Annotated Anodyne OCc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586895017 EI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586895049 EI Annotated Anodyne N#Cc1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586895051 EI Annotated Mild COc1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586895071 EI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586895082 EI Annotated Anodyne OCc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586895252 EI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586895320 EI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586895363 EI Annotated Anodyne OCC12CCC(c3nc4cccc(OC(F)(F)F)c4[nH]3)(CC1)CC2 ZINC000586895384 EI Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586895414 EI Annotated Anodyne OCC12CCC(c3nc4cc(Cl)c(F)c(F)c4[nH]3)(CC1)CC2 ZINC000586895430 EI Annotated Anodyne OCC12CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)(CC1)CC2 ZINC000586895450 EI Annotated Anodyne N#Cc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1C(F)(F)F ZINC000586895461 EI Annotated Mild OCc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586895491 EI Annotated Anodyne Cc1cc(Br)cc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 ZINC000586895510 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 ZINC000586895511 EI Annotated Anodyne Cc1c(Br)ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 ZINC000586895533 EI Annotated Anodyne OCC12CCC(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)(CC1)CC2 ZINC000586895599 EI Annotated Anodyne OCC12CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)(CC1)CC2 ZINC000586895612 EI Annotated Anodyne OCC12CCC(c3nc4cc(Cl)c(Cl)cc4[nH]3)(CC1)CC2 ZINC000586895645 EI Annotated Anodyne Cc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br ZINC000586895722 EI Annotated Anodyne OCC12CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)(CC1)CC2 ZINC000586895743 EI Annotated Anodyne Oc1cccc(CCCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586895824 EI Annotated Anodyne Oc1ccc(C2(c3nc4ccc(F)c(Br)c4[nH]3)CC2)cc1 ZINC000586895831 EI Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 ZINC000586895838 EI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)cc(F)c4[nH]3)CC2)cc1 ZINC000586895875 EI Annotated Anodyne CC(C)c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(O)c(C(C)C)c1 ZINC000586895956 EI Annotated Bother O=[N+]([O-])c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Cl ZINC000586895968 EI Annotated Bother Oc1cccc(CCCCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586896063 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 ZINC000586896071 EI Annotated Mild Cc1c(Br)ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 ZINC000586896248 EI Annotated Anodyne Cc1cc(Br)cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 ZINC000586896253 EI Annotated Anodyne Cc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br ZINC000586896271 EI Annotated Anodyne Oc1ccccc1C1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586896333 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(C3(c4ccccc4O)CC3)nc2c1 ZINC000586896387 EI Annotated Anodyne Oc1cccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586896438 EI Annotated Bother N#Cc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1C(F)(F)F ZINC000586896459 EI Annotated Mild Oc1cccc(CCCCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586896518 EI Annotated Anodyne Oc1cccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586896549 EI Annotated Bother COc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Cl ZINC000586896581 EI Annotated Anodyne Oc1ccc(C2(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586896587 EI Annotated Anodyne Oc1ccccc1C1(c2nc3ccc(Br)cc3[nH]2)CC1 ZINC000586896653 EI Annotated Anodyne Oc1ccccc1C1(c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586896695 EI Annotated Anodyne Oc1ccccc1C1(c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586896696 EI Annotated Anodyne Oc1ccc(C2(c3nc4cccc(Br)c4[nH]3)CC2)cc1 ZINC000586896728 EI Annotated Anodyne Cc1cc2[nH]c(CCCCc3cccc(O)c3)nc2cc1[N+](=O)[O-] ZINC000586896768 EI Annotated Bother Oc1ccc(C2(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586896782 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(C3(c4ccc(O)cc4)CC3)nc2c1 ZINC000586896816 EI Annotated Anodyne Cc1cc(Br)cc2nc(CCc3cccc(O)c3)[nH]c12 ZINC000586896947 EI Annotated Anodyne Oc1ccccc1C1(c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000586896968 EI Annotated Anodyne Oc1ccccc1C1(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000586897056 EI Annotated Anodyne Cc1cc2nc(CCc3cccc(O)c3)[nH]c2cc1Br ZINC000586897113 EI Annotated Anodyne CC(C)c1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(O)c(C(C)C)c1 ZINC000586897130 EI Annotated Bother Oc1ccccc1C1(c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586897212 EI Annotated Anodyne Cc1cc(Br)cc2nc(C3(c4ccccc4O)CC3)[nH]c12 ZINC000586897223 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(CCc3cccc(O)c3)nc2c1 ZINC000586897233 EI Annotated Anodyne Oc1ccccc1C1(c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586897239 EI Annotated Anodyne Oc1ccccc1C1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000586897241 EI Annotated Anodyne Cc1c(Br)ccc2nc(C3(c4ccccc4O)CC3)[nH]c12 ZINC000586897260 EI Annotated Anodyne Cc1c(Br)cc2nc(CCc3cccc(O)c3)[nH]c2c1C ZINC000586897266 EI Annotated Anodyne N#Cc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1C(F)(F)F ZINC000586897267 EI Annotated Mild Cc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br ZINC000586897305 EI Annotated Anodyne Cc1c(Br)ccc2nc(CCc3cccc(O)c3)[nH]c12 ZINC000586897306 EI Annotated Anodyne Oc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc2c1CCCC2 ZINC000586897442 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Cl ZINC000586897745 EI Annotated Bother O=C(O)c1cc(F)cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 ZINC000586897933 EI Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Br)c(F)c4[nH]3)CC2)cc1 ZINC000586898034 EI Annotated Anodyne Oc1ccc(C2(c3nc4cc(F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586898327 EI Annotated Anodyne Oc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc2c1CCCC2 ZINC000586898655 EI Annotated Anodyne Oc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc2c1CCCC2 ZINC000586898956 EI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)c(F)cc4[nH]3)CC2)cc1 ZINC000586899120 EI Annotated Anodyne Oc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc2c1CCCC2 ZINC000586899356 EI Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cccc(F)c3[nH]2)cc1 ZINC000586900042 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c(C)n1 ZINC000586900109 EI Annotated Anodyne N#Cc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 ZINC000586900339 EI Annotated Mild N#Cc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586900403 EI Annotated Mild N#Cc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586900404 EI Annotated Mild N#Cc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586900405 EI Annotated Mild N#Cc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586900406 EI Annotated Mild COc1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586900519 EI Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586900584 EI Annotated Reactive Fc1cnc(Cl)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 ZINC000586900653 EI Annotated Mild COc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1OC ZINC000586900696 EI Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(-c3ccoc3C3CC3)[nH]c12 ZINC000586900702 EI Annotated Bother CC[C@H](O)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586900963 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2c1 ZINC000586900969 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2c1 ZINC000586900970 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2c1 ZINC000586900971 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2c1 ZINC000586900972 EI Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)CC)[nH]c2cc1Br ZINC000586901134 EI Annotated Anodyne N#Cc1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586901206 EI Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccoc3C3CC3)nc1-2 ZINC000586901366 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1F ZINC000586901414 EI Annotated Mild Cc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586901419 EI Annotated Anodyne Cc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586901420 EI Annotated Anodyne Cc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586901422 EI Annotated Anodyne Cc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br ZINC000586901424 EI Annotated Anodyne CCCOc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br ZINC000586901505 EI Annotated Anodyne COc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1F ZINC000586901520 EI Annotated Mild N#Cc1nc(Cl)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586901545 EI Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000586901715 EI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccoc3C3CC3)nc2c1 ZINC000586901867 EI Annotated Mild CC(C)C[C@H](O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586902027 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586902079 EI Annotated Mild CCOCc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)o1 ZINC000586902182 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586902184 EI Annotated Mild CCOCc1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)o1 ZINC000586902245 EI Annotated Anodyne CCOCc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)o1 ZINC000586902260 EI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccoc3C3CC3)[nH]c12 ZINC000586902301 EI Annotated Anodyne CCOCc1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)o1 ZINC000586902367 EI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccoc3C3CC3)[nH]c12 ZINC000586902427 EI Annotated Bother O[C@@H]1C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586902446 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586902449 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586902450 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 ZINC000586902451 EI Annotated Anodyne Cc1oc2c(c1-c1nc3cc(C#N)cc(Cl)c3[nH]1)C(=O)CCC2 ZINC000586902474 EI Annotated Mild CCc1oc2ccccc2c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586902616 EI Annotated Anodyne Brc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2n1 ZINC000586902672 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Cl)cccc4[nH]3)oc12 ZINC000586902685 EI Annotated Anodyne Cc1oc2c(c1-c1nc3cc(C(F)(F)F)ncc3[nH]1)C(=O)CCC2 ZINC000586902752 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586902755 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586902757 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586902758 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586902759 EI Annotated Anodyne Cc1c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586902767 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586902774 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586902778 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586902782 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586902786 EI Annotated Anodyne Cc1cc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2cc1[N+](=O)[O-] ZINC000586902852 EI Annotated Mild CCOCc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)o1 ZINC000586902872 EI Annotated Anodyne CCOCc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)o1 ZINC000586902933 EI Annotated Anodyne Cc1c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586903029 EI Annotated Anodyne Cc1oc2c(c1-c1nc3c(Cl)c(Cl)cnc3[nH]1)C(=O)CCC2 ZINC000586903036 EI Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586903044 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc32)n1 ZINC000586903045 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc32)n1 ZINC000586903046 EI Annotated Anodyne Cc1oc2c(c1-c1nc3c(F)c(F)c(F)c(F)c3[nH]1)C(=O)CCC2 ZINC000586903153 EI Annotated Anodyne Brc1ccnc2[nH]c(CCc3cc4ccccc4o3)nc12 ZINC000586903177 EI Annotated Anodyne CCOCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)o1 ZINC000586903194 EI Annotated Bother CCOCc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)o1 ZINC000586903234 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 ZINC000586903246 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 ZINC000586903247 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 ZINC000586903248 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 ZINC000586903249 EI Annotated Anodyne Brc1nccc2nc(CCc3cc4ccccc4o3)[nH]c12 ZINC000586903264 EI Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586903281 EI Annotated Anodyne CCOCc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)o1 ZINC000586903353 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)ccc4[nH]3)oc12 ZINC000586903357 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(F)cc4[nH]3)oc12 ZINC000586903408 EI Annotated Anodyne CCc1oc2ccccc2c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586903508 EI Annotated Anodyne Cc1oc2c(c1-c1nc3cc(C(F)(F)F)cnc3[nH]1)C(=O)CCC2 ZINC000586903521 EI Annotated Anodyne Cc1oc2c(c1-c1nc3cc(Cl)nc(Cl)c3[nH]1)C(=O)CCC2 ZINC000586903590 EI Annotated Anodyne CCOCc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)o1 ZINC000586903596 EI Annotated Anodyne CCOCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1 ZINC000586903736 EI Annotated Bother CCOCc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)o1 ZINC000586903752 EI Annotated Anodyne Brc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cn1 ZINC000586903780 EI Annotated Anodyne COc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1C ZINC000586903789 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)oc12 ZINC000586903793 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(F)cc(F)cc4[nH]3)oc12 ZINC000586903807 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586903962 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586903964 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586903965 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586903966 EI Annotated Anodyne CCOCc1ccc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)o1 ZINC000586903973 EI Annotated Mild CCOCc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)o1 ZINC000586904015 EI Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586904024 EI Annotated Anodyne Cc1oc2c(c1-c1nc3c(Cl)cnc(Cl)c3[nH]1)C(=O)CCC2 ZINC000586904031 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586904043 EI Annotated Mild COc1ccc(C=O)c2cc(-c3nc4c(cnc5ccccc54)[nH]3)oc12 ZINC000586904178 EI Annotated Anodyne Fc1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1-n1cccn1 ZINC000586904210 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 ZINC000586904257 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 ZINC000586904259 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 ZINC000586904260 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 ZINC000586904261 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586904281 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586904282 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586904283 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586904284 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 ZINC000586904312 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 ZINC000586904313 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 ZINC000586904314 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 ZINC000586904316 EI Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(Br)cc3[nH]1)C(=O)CCC2 ZINC000586904358 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 ZINC000586904463 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 ZINC000586904464 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 ZINC000586904465 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 ZINC000586904466 EI Annotated Anodyne FC1(F)Oc2cc3nc(CCc4cc5ccccc5o4)[nH]c3cc2O1 ZINC000586904518 EI Annotated Anodyne Brc1cncc2nc(CCc3cc4ccccc4o3)[nH]c12 ZINC000586904530 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(ccc5ncccc54)[nH]3)oc12 ZINC000586904535 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Cl)ccc4[nH]3)oc12 ZINC000586904572 EI Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(C)c4[nH]3)oc12 ZINC000586904586 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1F ZINC000586904587 EI Annotated Bother Brc1cnc2[nH]c(CCc3cc4ccccc4o3)nc2c1 ZINC000586904599 EI Annotated Anodyne Cc1oc2c(c1-c1nc3cccc(Br)c3[nH]1)C(=O)CCC2 ZINC000586904647 EI Annotated Anodyne COc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Cl ZINC000586904682 EI Annotated Anodyne Cc1oc2c(c1-c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C(=O)CCC2 ZINC000586904691 EI Annotated Bother Cc1oc2c(c1-c1nc3cc(Cl)c(Cl)nc3[nH]1)C(=O)CCC2 ZINC000586904787 EI Annotated Anodyne Cc1c(-c2nc3c(Br)cccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904954 EI Annotated Anodyne Cc1c(-c2nc3c(Br)cccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586904955 EI Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3occ4c3CCC4)[nH]c2cn1 ZINC000586904956 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904994 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905000 EI Annotated Anodyne c1ccc2nc3cc4[nH]c(-c5occ6c5CCC6)nc4cc3nc2c1 ZINC000586905092 EI Annotated Bother COc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Cl ZINC000586905109 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 ZINC000586905111 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 ZINC000586905112 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 ZINC000586905113 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 ZINC000586905114 EI Annotated Anodyne COc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Cl ZINC000586905116 EI Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)o1 ZINC000586905130 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905135 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905136 EI Annotated Anodyne O[C@H]1C[C@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 ZINC000586905232 EI Annotated Anodyne O[C@@H]1C[C@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 ZINC000586905233 EI Annotated Anodyne O[C@H]1C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 ZINC000586905234 EI Annotated Anodyne O[C@@H]1C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 ZINC000586905236 EI Annotated Anodyne c1cnc2c(c1)c1nc(-c3occ4c3CCC4)[nH]c1c1cccnc12 ZINC000586905246 EI Annotated Bother Clc1c(Br)cnc2[nH]c(-c3occ4c3CCC4)nc12 ZINC000586905294 EI Annotated Anodyne Cc1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905310 EI Annotated Anodyne Cc1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905311 EI Annotated Anodyne Fc1c(Br)cc2nc(-c3occ4c3CCC4)[nH]c2c1F ZINC000586905369 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)cc(C#N)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905392 EI Annotated Mild Cc1c(-c2nc3c(Cl)cc(C#N)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905393 EI Annotated Mild Cc1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905501 EI Annotated Anodyne Cc1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905502 EI Annotated Anodyne Clc1ncc(Br)c2nc(-c3occ4c3CCC4)[nH]c12 ZINC000586905526 EI Annotated Anodyne Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905582 EI Annotated Anodyne Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905583 EI Annotated Anodyne Cc1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905605 EI Annotated Bother Cc1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905606 EI Annotated Bother Cc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)o1 ZINC000586905608 EI Annotated Anodyne Cc1c(-c2nc3cc(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905634 EI Annotated Anodyne Cc1c(-c2nc3cc(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905635 EI Annotated Anodyne Cc1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905636 EI Annotated Anodyne Cc1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905637 EI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)cc1N ZINC000586905641 EI Annotated Anodyne O=C1O/C(=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586905885 EI Annotated Anodyne O=C1O/C(=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586905886 EI Annotated Anodyne O=C1O/C(=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 ZINC000586906060 EI Annotated Anodyne O=C1O/C(=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 ZINC000586906061 EI Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586906088 EI Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586906089 EI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586906596 EI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586906600 EI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586906716 EI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586906717 EI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586906724 EI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586906725 EI Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(F)c(F)c(Cl)cc3[nH]1)=C2 ZINC000586906828 EI Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(C(F)(F)F)ccc3[nH]1)=C2 ZINC000586906862 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc32)n1 ZINC000586906869 EI Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(CC3OCCO3)[nH]c2c1 ZINC000586907158 EI Annotated Reactive Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cccc3[nH]1)=C2 ZINC000586907341 EI Annotated Anodyne CCOC(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586907390 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907534 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907541 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907542 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907544 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586907570 EI Annotated Anodyne O=C1O/C(=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586907878 EI Annotated Anodyne O=C1O/C(=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586907880 EI Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(OC(F)(F)F)cccc3[nH]1)=C2 ZINC000586907977 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c32)n1 ZINC000586908050 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c32)n1 ZINC000586908066 EI Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586908147 EI Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586908152 EI Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(OC(F)(F)F)ccc3[nH]1)=C2 ZINC000586908273 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586908285 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586908286 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586908287 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586908288 EI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586908657 EI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586908658 EI Annotated Anodyne CN(C)CCOc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586908713 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586908753 EI Annotated Bother CC[C@@H]1OCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586908761 EI Annotated Bother CC[C@H]1OCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586908762 EI Annotated Bother CC[C@H]1OCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586908763 EI Annotated Bother CC[C@H]1OCCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586908819 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586908820 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586908821 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586908822 EI Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586909132 EI Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586909133 EI Annotated Anodyne c1ccc2oc(CCc3nc4cc5c(cc4[nH]3)OCCCO5)cc2c1 ZINC000586909261 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586909522 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586909523 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586909524 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586909525 EI Annotated Anodyne Fc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909644 EI Annotated Mild Fc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909645 EI Annotated Mild FS(F)(F)(F)(F)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586910126 EI Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586910135 EI Annotated Reactive Fc1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910503 EI Annotated Mild Fc1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910504 EI Annotated Mild CC[C@H]1OCCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586910654 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586910655 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586910656 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586910657 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586910703 EI Annotated Bother CC[C@H]1OCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586910704 EI Annotated Bother CC[C@H]1OCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586910705 EI Annotated Bother CC[C@@H]1OCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586910708 EI Annotated Bother CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cccc21 ZINC000586910742 EI Annotated Anodyne CCCCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586910783 EI Annotated Anodyne CCCCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586910794 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cc(Br)ncc4[nH]3)cccc21 ZINC000586910906 EI Annotated Anodyne C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2ccccc2[nH]1 ZINC000586911054 EI Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2ccccc2[nH]1 ZINC000586911056 EI Annotated Mild CC1(C)COc2c(-c3nc4cc(Br)cnc4[nH]3)cccc21 ZINC000586911344 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cccc21 ZINC000586911381 EI Annotated Anodyne CC1(C)COc2c(-c3nc4ccnc(Br)c4[nH]3)cccc21 ZINC000586911593 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586911609 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586911610 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586911611 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586911612 EI Annotated Anodyne CC1(C)COc2c(-c3nc4c(Br)ccnc4[nH]3)cccc21 ZINC000586911683 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586911877 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586911880 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586911882 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586911883 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586911917 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586911918 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586911919 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586911921 EI Annotated Anodyne CC1(C)COc2c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cccc21 ZINC000586911989 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cccc21 ZINC000586912006 EI Annotated Anodyne CC1(C)COc2c(-c3nc4ccc(Br)nc4[nH]3)cccc21 ZINC000586912035 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cccc21 ZINC000586912082 EI Annotated Anodyne Oc1ccc(C2(c3nc4cccc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586912110 EI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 ZINC000586912387 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cccc21 ZINC000586912459 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cncc(Br)c4[nH]3)cccc21 ZINC000586912515 EI Annotated Anodyne CC1(C)COc2c(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cccc21 ZINC000586912517 EI Annotated Bother Oc1ccc(C2(c3nc4ccc(Cl)cc4[nH]3)CCOCC2)cc1 ZINC000586912532 EI Annotated Anodyne Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Cl ZINC000586912560 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586912813 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586912819 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586912822 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586912824 EI Annotated Anodyne CC(C)COc1cc2nc(C3=COCC3)[nH]c2cc1Br ZINC000586913048 EI Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(C3=COCC3)nc2c1 ZINC000586913091 EI Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C3=COCC3)[nH]c12 ZINC000586913132 EI Annotated Anodyne FC(F)(F)c1cc2nc(C3=COCC3)[nH]c2cc1Br ZINC000586913158 EI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Cl)cc(F)c4[nH]3)CCOCC2)cc1 ZINC000586913489 EI Annotated Anodyne Cc1cc(Cl)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913491 EI Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(C3=COCC3)[nH]c12 ZINC000586913652 EI Annotated Anodyne OC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOCC1 ZINC000586913803 EI Annotated Reactive CSc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913838 EI Annotated Anodyne Cc1c(Cl)ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913905 EI Annotated Anodyne C=CCc1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913922 EI Annotated Mild CCCCOc1cc2nc(C3=COCC3)[nH]c2cc1Br ZINC000586913954 EI Annotated Anodyne Oc1ccc(C2(c3nc4cc(Cl)c(F)cc4[nH]3)CCOCC2)cc1 ZINC000586913968 EI Annotated Anodyne Oc1ccc(C2(c3nc4ccc5c(c4[nH]3)CCCC5)CCOCC2)cc1 ZINC000586914129 EI Annotated Anodyne Cc1cncc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586914411 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586914692 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586914693 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586914694 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586914695 EI Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586914816 EI Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586914817 EI Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586914818 EI Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586914820 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000586915074 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000586915075 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000586915076 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000586915077 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000586915142 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000586915143 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000586915144 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000586915145 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000586915465 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000586915466 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000586915467 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000586915469 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000586915551 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000586915552 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000586915553 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000586915554 EI Annotated Anodyne O[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCOCC1 ZINC000586915555 EI Annotated Anodyne O[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCOCC1 ZINC000586915556 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000586915744 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000586915746 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000586915748 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000586915750 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000586915879 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000586915884 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000586915887 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000586915889 EI Annotated Anodyne O[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCOCC1 ZINC000586916116 EI Annotated Bother O[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCOCC1 ZINC000586916120 EI Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000586916356 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000586916359 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000586916361 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000586916364 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000586916382 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000586916385 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000586916387 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000586916389 EI Annotated Anodyne O=c1ccc2cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)ccc2o1 ZINC000586916536 EI Annotated Anodyne O=c1ccc2cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)ccc2o1 ZINC000586916564 EI Annotated Anodyne O=c1ccc2cc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)ccc2o1 ZINC000586916569 EI Annotated Anodyne O=c1ccc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2o1 ZINC000586916612 EI Annotated Anodyne O=c1ccc2cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)ccc2o1 ZINC000586916627 EI Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)cccc4[nH]3)ccc2o1 ZINC000586916634 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000586916635 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000586916638 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000586916640 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000586916642 EI Annotated Anodyne O=c1ccc2cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)ccc2o1 ZINC000586916671 EI Annotated Anodyne O=c1ccc2cc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)ccc2o1 ZINC000586916674 EI Annotated Anodyne C[C@H]1CCO[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C1 ZINC000586916719 EI Annotated Anodyne C[C@H]1CCO[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C1 ZINC000586916799 EI Annotated Anodyne CCc1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916926 EI Annotated Anodyne CCc1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916928 EI Annotated Anodyne CCc1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916930 EI Annotated Anodyne CCc1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 ZINC000586916933 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000586916935 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000586916936 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000586916937 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000586916938 EI Annotated Anodyne FC(F)(F)Oc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Cl ZINC000586916940 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc32)n1 ZINC000586917102 EI Annotated Anodyne C[C@H]1CCO[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C1 ZINC000586917214 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 ZINC000586917437 EI Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccccc4[nH]3)c(=O)oc2c1C ZINC000586917480 EI Annotated Anodyne O=c1ccc2cc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)ccc2o1 ZINC000586917644 EI Annotated Anodyne C[C@H]1CCO[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C1 ZINC000586917860 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586918021 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000586918365 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000586918366 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000586918367 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000586918369 EI Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br ZINC000586918526 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000586918695 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000586918696 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000586918697 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000586918699 EI Annotated Anodyne O=c1ccc2cc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)ccc2o1 ZINC000586918709 EI Annotated Anodyne CCCCCOc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br ZINC000586918857 EI Annotated Anodyne CC(C)(C)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924080 EI Annotated Anodyne CC(C)(C)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924081 EI Annotated Anodyne O=S(=O)(/C=C\c1nc2cc3ccccc3cc2[nH]1)c1ccccc1 ZINC000586924096 EI Annotated Anodyne O=S(=O)(/C=C/c1nc2cc3ccccc3cc2[nH]1)c1ccccc1 ZINC000586924097 EI Annotated Anodyne CCc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926642 EI Annotated Unstable CCc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927111 EI Annotated Unstable CCc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927250 EI Annotated Unstable Cc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586927318 EI Annotated Unstable Cc1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586927337 EI Annotated Unstable CCc1ccc(-c2nc3cccc(C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927414 EI Annotated Unstable Cc1cc(-c2nc3c(C)c(C)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927575 EI Annotated Unstable Cc1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928011 EI Annotated Unstable CS(=O)(=O)/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586928138 EI Annotated Reactive CS(=O)(=O)/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586928141 EI Annotated Reactive Cc1cc(C)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1 ZINC000586928312 EI Annotated Unstable O=[S@@](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)CC1CC1 ZINC000586959099 EI Annotated Anodyne O=[S@](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)CC1CC1 ZINC000586959102 EI Annotated Anodyne O=[S@@](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)CC1CC1 ZINC000586959592 EI Annotated Anodyne O=[S@](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)CC1CC1 ZINC000586959594 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](C)Sc3ncccn3)[nH]c12 ZINC000586961121 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@H](C)Sc3ncccn3)[nH]c12 ZINC000586961123 EI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586961347 EI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586961348 EI Annotated Anodyne Cc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br ZINC000586961384 EI Annotated Anodyne Cc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br ZINC000586961385 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586961611 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586961614 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586962063 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586962064 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](C)Sc3ncccn3)[nH]c12 ZINC000586962142 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@H](C)Sc3ncccn3)[nH]c12 ZINC000586962144 EI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586962300 EI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586962302 EI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586962467 EI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586962474 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(SC)cc2[nH]1 ZINC000586962700 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)Sc3ncccn3)nc2c1 ZINC000586962703 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)Sc3ncccn3)nc2c1 ZINC000586962705 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(SC)cc2[nH]1 ZINC000586962707 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586962762 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586962766 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(C)cc2[nH]1 ZINC000586962865 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(C)cc2[nH]1 ZINC000586962873 EI Annotated Anodyne Cc1ccc(SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1 ZINC000586962903 EI Annotated Anodyne C=CCc1cccc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c12 ZINC000586962907 EI Annotated Mild C=CCc1cccc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c12 ZINC000586962908 EI Annotated Mild C[C@@H](Sc1ncccn1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586962990 EI Annotated Mild C[C@H](Sc1ncccn1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586962992 EI Annotated Mild C[C@@H](Sc1ncccn1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586963031 EI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586963032 EI Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586963041 EI Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586963042 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586963171 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586963174 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586963177 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586963180 EI Annotated Anodyne Cc1ccc(SCc2nc3cc(Cl)nc(C#N)c3[nH]2)c(C)c1 ZINC000586963338 EI Annotated Mild Cc1ccc(SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1 ZINC000586963344 EI Annotated Anodyne Cc1ccc(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1 ZINC000586963545 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586963568 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586963570 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(F)cc2[nH]1 ZINC000586963591 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(F)cc2[nH]1 ZINC000586963592 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(C)c2[nH]1 ZINC000586963839 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(C)c2[nH]1 ZINC000586963840 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586963860 EI Annotated Mild C[C@@H](SCc1ccccc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586963861 EI Annotated Mild C[C@H](SCc1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586963869 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586963870 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(F)c2[nH]1 ZINC000586963897 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(F)c2[nH]1 ZINC000586963898 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586963905 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586963906 EI Annotated Anodyne Cc1ccc(SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1 ZINC000586964008 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)ccc(C)c2[nH]1 ZINC000586964084 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)ccc(C)c2[nH]1 ZINC000586964085 EI Annotated Anodyne Cc1ccc(SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1 ZINC000586964212 EI Annotated Anodyne Cc1ccc(SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1 ZINC000586964213 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586964258 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586964259 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C)c(C)c2[nH]1 ZINC000586964260 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C)c(C)c2[nH]1 ZINC000586964261 EI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 ZINC000586964275 EI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 ZINC000586964276 EI Annotated Anodyne CCc1ccc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 ZINC000586964280 EI Annotated Anodyne CCc1ccc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 ZINC000586964281 EI Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)SCc3ccccc3)[nH]c12 ZINC000586964282 EI Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)SCc3ccccc3)[nH]c12 ZINC000586964283 EI Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586964293 EI Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586964294 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(Cl)c2[nH]1 ZINC000586964338 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(Cl)c2[nH]1 ZINC000586964339 EI Annotated Anodyne COC(=O)c1cccc2nc(CSc3ccc(C)cc3C)[nH]c12 ZINC000586964398 EI Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(C)c2[nH]1 ZINC000586964417 EI Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(C)c2[nH]1 ZINC000586964418 EI Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586964700 EI Annotated Mild N#Cc1ccccc1SCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586964712 EI Annotated Mild COC(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1 ZINC000586964839 EI Annotated Anodyne COc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1OC ZINC000586964879 EI Annotated Anodyne Cc1ccc(SCc2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1 ZINC000586964929 EI Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586965138 EI Annotated Mild N#Cc1ccccc1SCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586965148 EI Annotated Mild N#Cc1ccccc1SCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586965155 EI Annotated Mild N#Cc1ccccc1SCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586965188 EI Annotated Mild Cc1ccc(-c2nnc(SCc3nc4ccc(C)cc4[nH]3)n2C)cc1 ZINC000586965233 EI Annotated Anodyne N#Cc1ccccc1SCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586965247 EI Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cccc(C)c4[nH]3)n2C)cc1 ZINC000586965309 EI Annotated Anodyne N#Cc1ccccc1SCc1nc2cccc(Br)c2[nH]1 ZINC000586965441 EI Annotated Mild N#Cc1ccccc1SCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586965452 EI Annotated Mild COc1cc(OC)c2[nH]c(CSc3ccc(C)cc3C)nc2c1 ZINC000586965469 EI Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586965472 EI Annotated Mild Cc1ccc(SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1 ZINC000586965496 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cncc(C)c3[nH]2)c(C)c1 ZINC000586966078 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(C)ccnc3[nH]2)c(C)c1 ZINC000586966104 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(C)nc3[nH]2)c(C)c1 ZINC000586966184 EI Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc4ccccc4cc3[nH]2)n1 ZINC000586966495 EI Annotated Anodyne C=CCc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966611 EI Annotated Mild Cc1ccc(-n2ccnc2SCc2nc3cnccc3[nH]2)c(C)c1 ZINC000586966667 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C)cnc3[nH]2)c(C)c1 ZINC000586966735 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccnc3[nH]2)c(C)c1 ZINC000586966752 EI Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(C)(C)C)cc3[nH]2)n1 ZINC000586966870 EI Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(C)nccc3[nH]2)c(C)c1 ZINC000586967103 EI Annotated Anodyne CCc1cc(O)nc(SCc2nc3cccc(C(C)(C)C)c3[nH]2)n1 ZINC000586967368 EI Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586967799 EI Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(F)cnc2[nH]1 ZINC000586968272 EI Annotated Bother CSCC(C)(C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586968570 EI Annotated Anodyne CSCC(C)(C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586969048 EI Annotated Anodyne CSCC(C)(C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586969069 EI Annotated Anodyne CSCC(C)(C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586969226 EI Annotated Anodyne CC(C)(C)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586969318 EI Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc3ccccc3cc2[nH]1 ZINC000586969692 EI Annotated Anodyne CSCC(C)(C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586969710 EI Annotated Anodyne Cc1ccc(CSCCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586970141 EI Annotated Bother Cc1ccc(CSCCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586970164 EI Annotated Anodyne Cc1ccc(CSCCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586970165 EI Annotated Anodyne Cc1ccc(CSCCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586970192 EI Annotated Mild Cc1ccc(CSCCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586970293 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586970449 EI Annotated Bother COC(C)(C)[C@@H](Br)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586970465 EI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586970466 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586970505 EI Annotated Reactive CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586970508 EI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586970511 EI Annotated Reactive CCCC(Br)(CCC)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586970516 EI Annotated Anodyne COC(=O)c1cccc2nc(CCSCc3ccc(C)cc3)[nH]c12 ZINC000586970517 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(OC)ncc2[nH]1 ZINC000586970558 EI Annotated Anodyne COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Cl ZINC000586970602 EI Annotated Reactive COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Cl ZINC000586970604 EI Annotated Reactive CCCOc1cc2nc(CBr)[nH]c2cc1Br ZINC000586970761 EI Annotated Reactive CC(C)Oc1cc2nc(CBr)[nH]c2cc1Br ZINC000586970784 EI Annotated Reactive Cc1ccc(CSCCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586970792 EI Annotated Bother COC(C)(C)[C@H](Br)c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586970809 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586970811 EI Annotated Reactive CCCC(Br)(CCC)c1nc2ccnc(OC)c2[nH]1 ZINC000586970829 EI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586970838 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586970840 EI Annotated Reactive CCCC(Br)(CCC)c1nc2ccc(CO)cc2[nH]1 ZINC000586970854 EI Annotated Anodyne Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586970857 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(CCO)cc2[nH]1 ZINC000586970874 EI Annotated Anodyne COC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 ZINC000586970885 EI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2ccc(SC)cc2[nH]1 ZINC000586970909 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(SC)cc2[nH]1 ZINC000586970912 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586970980 EI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586970982 EI Annotated Reactive CCCC(Br)(CCC)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586971173 EI Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586971177 EI Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586971178 EI Annotated Reactive COc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1OC ZINC000586971238 EI Annotated Anodyne COc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1F ZINC000586971275 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586971283 EI Annotated Anodyne Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586971289 EI Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000586971305 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000586971306 EI Annotated Reactive Cc1ccc(CSCCc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586971408 EI Annotated Mild CCCC(Br)(CCC)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586971430 EI Annotated Mild Cc1ccc(CSCCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586971463 EI Annotated Anodyne Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586971548 EI Annotated Bother CCCC(Br)(CCC)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586971576 EI Annotated Bother COC(C)(C)[C@H](Br)c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586971724 EI Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586971725 EI Annotated Reactive CCCC(Br)(CCC)c1nc2ccc(OC)nc2[nH]1 ZINC000586971738 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2cncc(OC)c2[nH]1 ZINC000586971803 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2c(Cl)ncnc2[nH]1 ZINC000586971816 EI Annotated Anodyne CCCC(Br)(CCC)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586971844 EI Annotated Anodyne Cc1ccc(CSCCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586971853 EI Annotated Anodyne COc1cc(OC)c2[nH]c(CCSCc3ccc(C)cc3)nc2c1 ZINC000586971866 EI Annotated Anodyne Cc1c(Br)ccc2nc(CCCCBr)[nH]c12 ZINC000586971945 EI Annotated Reactive Cc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 ZINC000586972063 EI Annotated Reactive Cc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 ZINC000586972064 EI Annotated Reactive Cc1cc(Br)c2[nH]c(CCCCBr)nc2c1 ZINC000586972090 EI Annotated Reactive BrCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000586972092 EI Annotated Reactive FC(F)(F)Oc1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972128 EI Annotated Reactive Fc1cc2[nH]c(CCCCBr)nc2cc1C(F)(F)F ZINC000586972165 EI Annotated Reactive BrCCCCc1nc2cccc(Br)c2[nH]1 ZINC000586972237 EI Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnccc2[nH]1 ZINC000586972268 EI Annotated Bother FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CBr)nc2c1 ZINC000586972372 EI Annotated Reactive Cc1cc2nc(/C=C\CBr)[nH]c2cc1Br ZINC000586972376 EI Annotated Reactive Cc1cc2nc(/C=C/CBr)[nH]c2cc1Br ZINC000586972377 EI Annotated Reactive Cc1c(Br)cc2nc(/C=C\CBr)[nH]c2c1C ZINC000586972442 EI Annotated Reactive Cc1c(Br)cc2nc(/C=C/CBr)[nH]c2c1C ZINC000586972443 EI Annotated Reactive FC(F)(F)Oc1cc2nc(CBr)[nH]c2cc1Cl ZINC000586972446 EI Annotated Reactive N#Cc1cc2nc(CCCCBr)[nH]c2cc1C(F)(F)F ZINC000586972457 EI Annotated Reactive Cc1c(Br)ccc2nc(/C=C\CBr)[nH]c12 ZINC000586972458 EI Annotated Reactive Cc1c(Br)ccc2nc(/C=C/CBr)[nH]c12 ZINC000586972459 EI Annotated Reactive Cc1cc(Br)cc2nc(CCCCBr)[nH]c12 ZINC000586972463 EI Annotated Reactive FC(F)(F)Oc1cccc2nc(CCCCBr)[nH]c12 ZINC000586972465 EI Annotated Reactive Cc1cc2nc(CCCCBr)[nH]c2cc1Br ZINC000586972491 EI Annotated Reactive Cc1cc(Br)cc2nc(/C=C\CBr)[nH]c12 ZINC000586972558 EI Annotated Reactive Cc1cc(Br)cc2nc(/C=C/CBr)[nH]c12 ZINC000586972559 EI Annotated Reactive COc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2n1 ZINC000586972698 EI Annotated Reactive COc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2n1 ZINC000586972702 EI Annotated Reactive Fc1cc(C(F)(F)F)c2[nH]c(CCCCBr)nc2c1 ZINC000586972719 EI Annotated Reactive Nc1ccc(Oc2ccc3nc(/C=C/CBr)[nH]c3c2)cc1 ZINC000586972763 EI Annotated Reactive Nc1ccc(Oc2ccc3nc(/C=C\CBr)[nH]c3c2)cc1 ZINC000586972764 EI Annotated Reactive Cc1nccc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12 ZINC000586973020 EI Annotated Reactive Cc1nccc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12 ZINC000586973026 EI Annotated Reactive COc1cncc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586973094 EI Annotated Reactive COc1cncc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586973095 EI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586973110 EI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586973112 EI Annotated Reactive COc1nccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586973179 EI Annotated Reactive COc1nccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586973181 EI Annotated Reactive Cc1cnc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 ZINC000586973204 EI Annotated Reactive Cc1cnc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 ZINC000586973205 EI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(O)cc2[nH]1 ZINC000586973397 EI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(O)cc2[nH]1 ZINC000586973398 EI Annotated Reactive O=C(c1ccccc1)c1ccc2nc(/C=C\CBr)[nH]c2c1 ZINC000586973509 EI Annotated Reactive O=C(c1ccccc1)c1ccc2nc(/C=C/CBr)[nH]c2c1 ZINC000586973511 EI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586973712 EI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586973713 EI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000586973784 EI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000586973785 EI Annotated Reactive BrC/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586974113 EI Annotated Reactive BrC/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586974115 EI Annotated Reactive Cc1ccnc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12 ZINC000586974254 EI Annotated Reactive Cc1ccnc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12 ZINC000586974255 EI Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000586974288 EI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000586974289 EI Annotated Reactive Cc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2n1 ZINC000586974308 EI Annotated Reactive Cc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2n1 ZINC000586974310 EI Annotated Reactive Cc1cncc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586974447 EI Annotated Reactive Cc1cncc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 ZINC000586974449 EI Annotated Reactive Clc1cc(Cl)c(Br)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000586974511 EI Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586974543 EI Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586974548 EI Annotated Reactive COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cn1 ZINC000586974550 EI Annotated Reactive COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cn1 ZINC000586974551 EI Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccnc2[nH]1 ZINC000586974597 EI Annotated Bother Clc1cc(Cl)c(Br)c(-c2nc3cncnc3[nH]2)c1 ZINC000586974602 EI Annotated Anodyne BrC/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586974701 EI Annotated Reactive BrC/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586974703 EI Annotated Reactive Cc1cc(Cc2nc3c(Cl)ccnc3[nH]2)ccc1Br ZINC000586975359 EI Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(Br)c(C)c3)nc2c(C)n1 ZINC000586975401 EI Annotated Anodyne Cc1cc(Cc2nc3cc4cn[nH]c4cc3[nH]2)ccc1Br ZINC000586975403 EI Annotated Anodyne Cc1cc(Cc2nc3cncc(Cl)c3[nH]2)ccc1Br ZINC000586975439 EI Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3cnncc3[nH]2)c1 ZINC000586975617 EI Annotated Anodyne COc1cc(/C=C/c2nc3cc(F)cnc3[nH]2)ccc1Br ZINC000586975731 EI Annotated Anodyne COc1cc(/C=C\c2nc3cc(F)cnc3[nH]2)ccc1Br ZINC000586975732 EI Annotated Anodyne CC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 ZINC000586975969 EI Annotated Anodyne CCc1ccc(-c2nc3ccc(CO)cc3[nH]2)cc1Br ZINC000586976170 EI Annotated Anodyne Cc1cc(Cc2nc3ccc(Cl)nc3[nH]2)ccc1Br ZINC000586976340 EI Annotated Anodyne Cc1cc(Cc2nc3cccc(C#N)c3[nH]2)ccc1Br ZINC000586976349 EI Annotated Mild Cc1cc(Cc2nc3cc(Cl)cnc3[nH]2)ccc1Br ZINC000586976408 EI Annotated Anodyne Cc1cc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586976458 EI Annotated Bother CCc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1Br ZINC000586976526 EI Annotated Bother CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1Br ZINC000586976896 EI Annotated Anodyne Cc1cc(Cc2nc3ccnc(Cl)c3[nH]2)ccc1Br ZINC000586977018 EI Annotated Anodyne COc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1F ZINC000586977058 EI Annotated Anodyne COc1cc(/C=C/c2nc3c(C)nccc3[nH]2)ccc1Br ZINC000586977130 EI Annotated Anodyne COc1cc(/C=C\c2nc3c(C)nccc3[nH]2)ccc1Br ZINC000586977137 EI Annotated Anodyne Cc1cc(Cc2nc3ccc(C#N)cc3[nH]2)ccc1Br ZINC000586977201 EI Annotated Mild COc1cccc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 ZINC000586977496 EI Annotated Anodyne Cc1cc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br ZINC000586977592 EI Annotated Bother CCc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1Br ZINC000586977648 EI Annotated Mild CCc1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1Br ZINC000586977698 EI Annotated Anodyne Cc1cc(Cc2nc3cc(Cl)ncc3[nH]2)ccc1Br ZINC000586977846 EI Annotated Anodyne COc1cc(/C=C/c2nc3cncc(C)c3[nH]2)ccc1Br ZINC000586977874 EI Annotated Anodyne COc1cc(/C=C\c2nc3cncc(C)c3[nH]2)ccc1Br ZINC000586977876 EI Annotated Anodyne CCc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1Br ZINC000586977974 EI Annotated Mild CCc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1Br ZINC000586978018 EI Annotated Anodyne COc1cc(/C=C/c2nc3c(C)ccnc3[nH]2)ccc1Br ZINC000586978251 EI Annotated Anodyne COc1cc(/C=C\c2nc3c(C)ccnc3[nH]2)ccc1Br ZINC000586978252 EI Annotated Anodyne COc1cc(/C=C/c2nc3cc(C)cnc3[nH]2)ccc1Br ZINC000586978294 EI Annotated Anodyne COc1cc(/C=C\c2nc3cc(C)cnc3[nH]2)ccc1Br ZINC000586978295 EI Annotated Anodyne Cc1ncc(-c2nc3cc(Cl)ncc3[nH]2)c(C)c1Br ZINC000586978710 EI Annotated Anodyne Cc1ncc(-c2nc3ccc(F)c(F)c3[nH]2)c(C)c1Br ZINC000586978748 EI Annotated Anodyne Cc1ncc(-c2nc3cc(F)c(F)cc3[nH]2)c(C)c1Br ZINC000586978920 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586978966 EI Annotated Anodyne Cc1cc2[nH]c(-c3cnc(C)c(Br)c3C)nc2c(C)n1 ZINC000586979019 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 ZINC000586979027 EI Annotated Anodyne Clc1nccc(-c2nc3cncc(Cl)c3[nH]2)c1Br ZINC000586979034 EI Annotated Anodyne Cc1ncc(-c2nc3cc(Cl)cnc3[nH]2)c(C)c1Br ZINC000586979107 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2c(C)n1 ZINC000586979125 EI Annotated Anodyne Cc1ncc(-c2nc3cncc(Cl)c3[nH]2)c(C)c1Br ZINC000586979145 EI Annotated Anodyne Cc1ncc(-c2nc3c(Cl)ccnc3[nH]2)c(C)c1Br ZINC000586979158 EI Annotated Anodyne Cc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1F ZINC000586979183 EI Annotated Anodyne Clc1nccc(-c2nc3c(Cl)ccnc3[nH]2)c1Br ZINC000586979215 EI Annotated Anodyne CC(=O)c1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 ZINC000586979249 EI Annotated Anodyne Cc1ncc(-c2nc3ccnc(Cl)c3[nH]2)c(C)c1Br ZINC000586979309 EI Annotated Anodyne Cc1ncc(-c2nc3cc(F)cc(F)c3[nH]2)c(C)c1Br ZINC000586979329 EI Annotated Anodyne Clc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 ZINC000586979389 EI Annotated Anodyne Cc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F ZINC000586979445 EI Annotated Anodyne Cc1ncc(-c2nc3ccc(Cl)nc3[nH]2)c(C)c1Br ZINC000586979455 EI Annotated Anodyne Clc1nccc(-c2nc3ccnc(Cl)c3[nH]2)c1Br ZINC000586979497 EI Annotated Anodyne Clc1cnc2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979500 EI Annotated Anodyne Fc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F ZINC000586979502 EI Annotated Anodyne COc1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979548 EI Annotated Anodyne COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1C ZINC000586979593 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979620 EI Annotated Anodyne COc1cccc2nc(-c3cnc(C)c(Br)c3C)[nH]c12 ZINC000586979673 EI Annotated Anodyne Cc1c(-c2nc3ccccc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979707 EI Annotated Bother Fc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 ZINC000586979827 EI Annotated Anodyne Fc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1F ZINC000586979869 EI Annotated Anodyne Clc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1 ZINC000586979950 EI Annotated Anodyne Clc1c[nH]c2nc(-c3cc(Br)ccc3Cl)nc-2n1 ZINC000586980160 EI Annotated Anodyne Clc1ncc2nc(-c3cc(Br)ccc3Cl)nc-2[nH]1 ZINC000586980464 EI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(C#N)cc2[nH]1 ZINC000586980676 EI Annotated Mild COc1cccc2nc(COc3ccc(Br)cc3C)[nH]c12 ZINC000586981157 EI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cccc(C#N)c2[nH]1 ZINC000586981252 EI Annotated Mild O=Cc1cc(Br)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000586981457 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 ZINC000586981510 EI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cccc(F)c2[nH]1 ZINC000586981561 EI Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(F)cc2[nH]1 ZINC000586981637 EI Annotated Anodyne Cc1cc2[nH]c(COc3ccc(Br)cc3C)nc2c(C)n1 ZINC000586981665 EI Annotated Anodyne Cc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1C ZINC000586982230 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 ZINC000586982268 EI Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586982317 EI Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1C ZINC000586982482 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 ZINC000586982573 EI Annotated Anodyne Cc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1F ZINC000586982649 EI Annotated Anodyne CCc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 ZINC000586982765 EI Annotated Anodyne Cc1c(F)ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586982892 EI Annotated Anodyne Cc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1C ZINC000586982943 EI Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586983118 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983283 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983285 EI Annotated Anodyne Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1F ZINC000586983370 EI Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1F ZINC000586983371 EI Annotated Anodyne CCc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983403 EI Annotated Anodyne CCc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983404 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586983794 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586983796 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586984186 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586984187 EI Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1C ZINC000586985062 EI Annotated Anodyne Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1C ZINC000586985063 EI Annotated Anodyne Cc1c(F)ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586985075 EI Annotated Anodyne Cc1c(F)ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586985076 EI Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1C ZINC000586985077 EI Annotated Anodyne Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1C ZINC000586985078 EI Annotated Anodyne CC(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986145 EI Annotated Reactive CC(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986146 EI Annotated Reactive Cn1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986513 EI Annotated Anodyne Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986520 EI Annotated Anodyne Cc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986589 EI Annotated Anodyne CCc1nc2ccc(O)c3c2c(c1CCCl)-c1ccccc1C3=O ZINC000586986795 EI Annotated Reactive C/C(=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CC1 ZINC000586986846 EI Annotated Anodyne C/C(=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CC1 ZINC000586986847 EI Annotated Anodyne O=C1c2ccccc2-c2c(CC(F)(F)F)cnc3ccc(O)c1c23 ZINC000586986912 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccncc3F)nc3ccc(O)c1c23 ZINC000586987218 EI Annotated Anodyne Cn1cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987241 EI Annotated Anodyne O=C1c2ccccc2-c2cc(C(F)(F)Cl)nc3ccc(O)c1c23 ZINC000586987246 EI Annotated Anodyne CCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000586987274 EI Annotated Anodyne CN(C)CCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987277 EI Annotated Anodyne Cc1coc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987423 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccncc1C3 ZINC000586987446 EI Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccn3)cnc3ccc(O)c1c23 ZINC000586987471 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC(F)(F)C3 ZINC000586987499 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC(F)(F)F)nc3ccc(O)c1c23 ZINC000586987584 EI Annotated Anodyne Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987628 EI Annotated Anodyne CCn1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987897 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ncccc1C3 ZINC000586987962 EI Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccncc3)cnc3ccc(O)c1c23 ZINC000586987980 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CN3CCCCC3)nc3ccc(O)c1c23 ZINC000586987996 EI Annotated Anodyne CC/C(C)=C(\N)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988058 EI Annotated Anodyne CC/C(C)=C(/N)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988059 EI Annotated Anodyne Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988070 EI Annotated Anodyne CCn1nccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988100 EI Annotated Anodyne CC(C)N(C)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988202 EI Annotated Anodyne Cc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 ZINC000586988245 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccn1CC3 ZINC000586988250 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cncc(F)c3)nc3ccc(O)c1c23 ZINC000586988264 EI Annotated Anodyne CCN(CC)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988597 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncccc3F)nc3ccc(O)c1c23 ZINC000586988769 EI Annotated Anodyne Cc1c([C@H](C)CN(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988813 EI Annotated Anodyne Cc1c([C@@H](C)CN(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988814 EI Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccncc3)nc3ccc(O)c1c23 ZINC000586988846 EI Annotated Anodyne Cc1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)co1 ZINC000586988869 EI Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccccn3)nc3ccc(O)c1c23 ZINC000586988873 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccnc1C3 ZINC000586988932 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(F)cn3)nc3ccc(O)c1c23 ZINC000586988935 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccnc(F)c3)nc3ccc(O)c1c23 ZINC000586988942 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccnc3F)nc3ccc(O)c1c23 ZINC000586988979 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(F)nc3)nc3ccc(O)c1c23 ZINC000586989098 EI Annotated Anodyne CCO/C=C(\C#N)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989152 EI Annotated Reactive CCCc1c(COC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989211 EI Annotated Anodyne COCc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586989388 EI Annotated Anodyne Cc1noc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989455 EI Annotated Anodyne COCC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989474 EI Annotated Anodyne COCC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989475 EI Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCCCC3=O)nc3ccc(O)c1c23 ZINC000586989542 EI Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCCCC3=O)nc3ccc(O)c1c23 ZINC000586989543 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C1CC1)C3 ZINC000586989605 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C1CC1)C3 ZINC000586989608 EI Annotated Anodyne CC(C)OCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989689 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]ccc1CC3 ZINC000586989690 EI Annotated Anodyne Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)no1 ZINC000586989707 EI Annotated Anodyne CC1(C)[C@H]2c3nc4ccc(O)c5c4c(c3C[C@H]21)-c1ccccc1C5=O ZINC000586989767 EI Annotated Anodyne CC1(C)[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]21 ZINC000586989770 EI Annotated Anodyne CC1(C)[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]21 ZINC000586989772 EI Annotated Anodyne CC1(C)[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]21 ZINC000586989774 EI Annotated Anodyne COC(C)(C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989897 EI Annotated Anodyne Cc1n[nH]c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989915 EI Annotated Anodyne C#C[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989999 EI Annotated Mild C#C[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990001 EI Annotated Mild Cc1nc2ccc(O)c3c2c(c1C1CCOCC1)-c1ccccc1C3=O ZINC000586990064 EI Annotated Anodyne Cc1oncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990073 EI Annotated Anodyne O=C1c2ccccc2-c2c(C3CCOCC3)cnc3ccc(O)c1c23 ZINC000586990144 EI Annotated Anodyne CC(C)COCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990196 EI Annotated Anodyne Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)on1 ZINC000586990210 EI Annotated Anodyne CC(=O)Cc1c(C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990219 EI Annotated Anodyne CCC(=O)CCc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586990374 EI Annotated Anodyne C[C@@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCCO1 ZINC000586990416 EI Annotated Anodyne C[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCCO1 ZINC000586990417 EI Annotated Anodyne CCCCOC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990454 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc[nH]c1CC3 ZINC000586990628 EI Annotated Anodyne CCCc1c(C(C)=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990704 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C3CCC3)nc3ccc(O)c1c23 ZINC000586990751 EI Annotated Anodyne C=C(C)CO[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990753 EI Annotated Mild C=C(C)CO[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990754 EI Annotated Mild CC(C)C(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990825 EI Annotated Anodyne O=C1c2ccccc2-c2c(CC3CCOCC3)cnc3ccc(O)c1c23 ZINC000586990876 EI Annotated Anodyne CC(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991105 EI Annotated Anodyne CC(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991106 EI Annotated Anodyne C[C@H]1C(=O)c2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O ZINC000586991120 EI Annotated Anodyne C[C@@H]1C(=O)c2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O ZINC000586991121 EI Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C(=O)[C@@H]1C ZINC000586991122 EI Annotated Anodyne C[C@@H]1C(=O)c2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O ZINC000586991123 EI Annotated Anodyne O=C1c2ccccc2-c2c(CCC(=O)C3CC3)cnc3ccc(O)c1c23 ZINC000586991148 EI Annotated Anodyne O=C1c2ccccc2-c2c([C@@H]3CCCOC3)cnc3ccc(O)c1c23 ZINC000586991357 EI Annotated Anodyne CC(C)O[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991359 EI Annotated Anodyne O=C1c2ccccc2-c2c([C@H]3CCCOC3)cnc3ccc(O)c1c23 ZINC000586991360 EI Annotated Anodyne CC(C)O[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991362 EI Annotated Anodyne CCO[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991364 EI Annotated Anodyne CCO[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991366 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](O)CCCCC3 ZINC000586991400 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](O)CCCCC3 ZINC000586991402 EI Annotated Anodyne Cc1c(C2CCOCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991438 EI Annotated Anodyne CC[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991509 EI Annotated Anodyne CC[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991514 EI Annotated Anodyne CCOC1=Cc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O ZINC000586991535 EI Annotated Anodyne CCC(=O)Cc1c(CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991570 EI Annotated Anodyne CC(=O)Cc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586991574 EI Annotated Anodyne CCCC[C@H](CO)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991677 EI Annotated Anodyne CCCC[C@@H](CO)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991678 EI Annotated Anodyne C[C@@]12C[C@@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991703 EI Annotated Anodyne C[C@@]12C[C@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991705 EI Annotated Anodyne C[C@]12C[C@@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991706 EI Annotated Anodyne C[C@]12C[C@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991709 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CC1)C3 ZINC000586991768 EI Annotated Anodyne CC1(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586991772 EI Annotated Anodyne O=C1c2ccccc2-c2c(CC#CC3CC3)cnc3ccc(O)c1c23 ZINC000586991816 EI Annotated Mild CC[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991831 EI Annotated Anodyne CC[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991835 EI Annotated Anodyne CC(=O)C(C)(C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991900 EI Annotated Anodyne O=C1c2ccccc2-c2cc(C3(O)CCCCC3)nc3ccc(O)c1c23 ZINC000586991905 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CC[C@@H]3C(=O)C1 ZINC000586991916 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CC[C@H]3C(=O)C1 ZINC000586991921 EI Annotated Anodyne CC(C)CC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991939 EI Annotated Anodyne CC(=O)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586991957 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](OC1CCC1)C3 ZINC000586992081 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](OC1CCC1)C3 ZINC000586992085 EI Annotated Anodyne CO/C=C(\C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586992135 EI Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCCOC3)nc3ccc(O)c1c23 ZINC000586992251 EI Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCCOC3)nc3ccc(O)c1c23 ZINC000586992252 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC3CCOCC3)nc3ccc(O)c1c23 ZINC000586992336 EI Annotated Anodyne CC(C)CC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992696 EI Annotated Anodyne CC(C)(C)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992723 EI Annotated Anodyne CO[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992786 EI Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CC(=O)C(C)C)-c1ccccc1C3=O ZINC000586992791 EI Annotated Anodyne O=CCCc1c(C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992792 EI Annotated Mild O=C1c2ccccc2-c2cc(C3CCOCC3)nc3ccc(O)c1c23 ZINC000586992858 EI Annotated Anodyne CO[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993155 EI Annotated Anodyne CCOC1=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586993180 EI Annotated Anodyne CCO[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586993184 EI Annotated Anodyne CCO[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586993187 EI Annotated Anodyne COC(=O)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586993225 EI Annotated Anodyne C=CCCO[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993267 EI Annotated Mild C=CCCO[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993268 EI Annotated Mild CCOC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993594 EI Annotated Anodyne CCOC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993597 EI Annotated Anodyne CCOC1=C(C)c2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586993704 EI Annotated Anodyne COC1(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCC1 ZINC000586993729 EI Annotated Anodyne Nc1ccsc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993854 EI Annotated Anodyne CC(C)(S)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994154 EI Annotated Mild O=C1c2ccccc2-c2cc(-c3cscn3)nc3ccc(O)c1c23 ZINC000586994198 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3nccs3)nc3ccc(O)c1c23 ZINC000586994206 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccns3)nc3ccc(O)c1c23 ZINC000586994298 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cncs3)nc3ccc(O)c1c23 ZINC000586994581 EI Annotated Anodyne Fc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586994755 EI Annotated Anodyne Cc1cncc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 ZINC000586995164 EI Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)C(F)F)nc13)-c1ccccc1C2=O ZINC000586995174 EI Annotated Anodyne Cc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586995244 EI Annotated Anodyne Cc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995252 EI Annotated Anodyne Fc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995266 EI Annotated Anodyne CSc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586995336 EI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cnccc2[nH]1 ZINC000586995366 EI Annotated Anodyne CCOC(=O)[C@H](F)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995388 EI Annotated Anodyne CCOC(=O)[C@@H](F)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995392 EI Annotated Anodyne CC(=O)[C@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995412 EI Annotated Anodyne CC(=O)[C@@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586995422 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4ncccc4N)nc13)-c1ccccc1C2=O ZINC000586995549 EI Annotated Anodyne Cc1c(F)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995728 EI Annotated Anodyne Cc1nccc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc12 ZINC000586995900 EI Annotated Anodyne COC(=O)[C@@H](F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000586995936 EI Annotated Anodyne COC(=O)[C@H](F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000586995937 EI Annotated Anodyne Cc1ccc2c3c(cc(CCCN(C)C)nc13)-c1ccccc1C2=O ZINC000586995965 EI Annotated Anodyne Cc1cc(F)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996118 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 ZINC000586996252 EI Annotated Anodyne Cc1c(F)ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586996302 EI Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCN(C)C)-c1ccccc1C3=O ZINC000586996432 EI Annotated Anodyne Cc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1C ZINC000586996494 EI Annotated Anodyne C=CCc1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586996640 EI Annotated Mild Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586996654 EI Annotated Anodyne Cc1cnc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 ZINC000586996737 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](N(C)C)C4)-c1ccccc1C2=O ZINC000586996827 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](N(C)C)C4)-c1ccccc1C2=O ZINC000586996829 EI Annotated Anodyne Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1C ZINC000586997068 EI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586997218 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 ZINC000586997249 EI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(O)cc2[nH]1 ZINC000586997267 EI Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 ZINC000586997286 EI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586997329 EI Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000586997346 EI Annotated Anodyne Cc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2n1 ZINC000586997396 EI Annotated Anodyne Cc1ccnc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc12 ZINC000586997473 EI Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cccnc2[nH]1 ZINC000586997490 EI Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccccc3[nH]1)OCO2 ZINC000586997518 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4ncc(F)cn4)nc13)-c1ccccc1C2=O ZINC000586997695 EI Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 ZINC000586997753 EI Annotated Anodyne CCc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586997821 EI Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccccc3[nH]1)OCO2 ZINC000586997824 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 ZINC000586998025 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]ccc4=N)nc13)-c1ccccc1C2=O ZINC000586998271 EI Annotated Anodyne Fc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F ZINC000587001936 EI Annotated Anodyne Fc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002359 EI Annotated Anodyne Cc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002377 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587002450 EI Annotated Anodyne Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1C ZINC000587002482 EI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cnccc4[nH]3)c2o1 ZINC000587002493 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587002961 EI Annotated Anodyne Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F ZINC000587003026 EI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(N)ccnc4[nH]3)c2o1 ZINC000587003344 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587003460 EI Annotated Anodyne Fc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1F ZINC000587003535 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587003579 EI Annotated Anodyne Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587003717 EI Annotated Anodyne CCc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587003772 EI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccnc(O)c4[nH]3)c2o1 ZINC000587004028 EI Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cccnc4[nH]3)c2o1 ZINC000587004086 EI Annotated Anodyne Fc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004217 EI Annotated Anodyne Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1C ZINC000587004428 EI Annotated Anodyne COc1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587004875 EI Annotated Anodyne Clc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 ZINC000587004908 EI Annotated Anodyne Cc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F ZINC000587004931 EI Annotated Anodyne Fc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1F ZINC000587004958 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587004964 EI Annotated Anodyne Clc1cnc2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005021 EI Annotated Anodyne Clc1ccc(Br)nc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587005045 EI Annotated Anodyne Fc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F ZINC000587005117 EI Annotated Anodyne Cc1c(F)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005126 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3nc(Cl)cnc3Br)nc12 ZINC000587005197 EI Annotated Anodyne Clc1c(-c2nc3ccnc(Cl)c3[nH]2)ccnc1Br ZINC000587005206 EI Annotated Anodyne Fc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587005207 EI Annotated Anodyne Clc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1 ZINC000587005216 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005324 EI Annotated Anodyne Clc1ccc(Br)nc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587005336 EI Annotated Anodyne Fc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 ZINC000587005345 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005383 EI Annotated Anodyne Cc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F ZINC000587005399 EI Annotated Anodyne Clc1c(-c2nc3cncc(Cl)c3[nH]2)ccnc1Br ZINC000587005421 EI Annotated Anodyne Clc1cnc2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005454 EI Annotated Anodyne Clc1ccc(Br)nc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587005495 EI Annotated Anodyne Clc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1 ZINC000587005504 EI Annotated Anodyne Cc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2c(C)n1 ZINC000587005558 EI Annotated Anodyne Fc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1F ZINC000587005562 EI Annotated Anodyne Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1C ZINC000587005564 EI Annotated Anodyne Clc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005566 EI Annotated Anodyne Cc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1C ZINC000587005568 EI Annotated Anodyne COc1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005619 EI Annotated Anodyne Clc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 ZINC000587005659 EI Annotated Anodyne C=CCc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005828 EI Annotated Mild Clc1c(-c2nc3c(Cl)ccnc3[nH]2)ccnc1Br ZINC000587005835 EI Annotated Anodyne Fc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F ZINC000587005849 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005879 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005905 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2c(C)n1 ZINC000587005923 EI Annotated Anodyne Clc1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006098 EI Annotated Anodyne Clc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cn1 ZINC000587006109 EI Annotated Anodyne Cc1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c(C)n1 ZINC000587006123 EI Annotated Anodyne Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1C ZINC000587006192 EI Annotated Anodyne Fc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1F ZINC000587006226 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006279 EI Annotated Anodyne Clc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587006283 EI Annotated Anodyne Cc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1C ZINC000587006297 EI Annotated Anodyne N#Cc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 ZINC000587006355 EI Annotated Mild Clc1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006402 EI Annotated Anodyne CCc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006426 EI Annotated Anodyne Clc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006429 EI Annotated Anodyne Clc1nccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006492 EI Annotated Anodyne Cc1c(F)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006520 EI Annotated Anodyne Fc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006572 EI Annotated Anodyne Cc1cc(F)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587006583 EI Annotated Anodyne Cc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1C ZINC000587006606 EI Annotated Anodyne Clc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006608 EI Annotated Anodyne COc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006676 EI Annotated Anodyne Clc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 ZINC000587006778 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4ccc(Br)o4)nc32)n1 ZINC000587006798 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006830 EI Annotated Anodyne FC(F)(F)Oc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 ZINC000587006846 EI Annotated Anodyne Cc1c(F)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587007041 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587007064 EI Annotated Anodyne Clc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007065 EI Annotated Anodyne N#Cc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587007066 EI Annotated Mild Cc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F ZINC000587007089 EI Annotated Anodyne Cc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1F ZINC000587007110 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587007220 EI Annotated Anodyne Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F ZINC000587007266 EI Annotated Anodyne Fc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587007313 EI Annotated Anodyne Clc1cc2[nH]c(-c3ccc(Br)o3)nc2c(Cl)n1 ZINC000587007339 EI Annotated Anodyne Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1C ZINC000587007431 EI Annotated Anodyne Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1C ZINC000587007433 EI Annotated Anodyne Clc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007485 EI Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc([C@@H](Cl)CCl)[nH]c2cn1 ZINC000587007523 EI Annotated Reactive FC(F)(F)C(F)(F)c1cc2nc([C@H](Cl)CCl)[nH]c2cn1 ZINC000587007524 EI Annotated Reactive C[C@H](Br)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587007678 EI Annotated Reactive C[C@H](Br)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587007710 EI Annotated Reactive Clc1ncc(Cl)c2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587007718 EI Annotated Anodyne CCc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 ZINC000587007727 EI Annotated Anodyne Fc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F ZINC000587007855 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(Br)o3)nc2c1F ZINC000587008196 EI Annotated Anodyne ClC[C@H](Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587008285 EI Annotated Reactive C[C@H](Br)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587008287 EI Annotated Reactive ClC[C@@H](Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587008288 EI Annotated Reactive FC(F)(F)Oc1cccc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587008329 EI Annotated Anodyne COc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Cl ZINC000587008378 EI Annotated Anodyne CCc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008485 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587008495 EI Annotated Anodyne Cc1cc(C)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587008507 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587008529 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587008574 EI Annotated Anodyne C[C@H](Br)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587008621 EI Annotated Reactive Fc1c(Br)cc2nc([C@@H](Cl)CCl)[nH]c2c1F ZINC000587008667 EI Annotated Reactive Fc1c(Br)cc2nc([C@H](Cl)CCl)[nH]c2c1F ZINC000587008672 EI Annotated Reactive Cc1c(Br)cc2nc([C@H](C)Br)[nH]c2c1C ZINC000587008810 EI Annotated Reactive Clc1cnc2nc(-c3ccc(Br)o3)[nH]c2c1Cl ZINC000587008823 EI Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Cl ZINC000587008884 EI Annotated Bother ClC[C@H](Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587008947 EI Annotated Reactive ClC[C@@H](Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587008948 EI Annotated Reactive C[C@H](Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587009009 EI Annotated Reactive C[C@H](Br)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587009043 EI Annotated Reactive C[C@H](Br)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587009065 EI Annotated Reactive C[C@H](Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587009196 EI Annotated Reactive COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1C ZINC000587010492 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3sc(Br)nc3C)nc2c1 ZINC000587010511 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587010521 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587010584 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cccc(Cl)c2[nH]1 ZINC000587010617 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587010634 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 ZINC000587010703 EI Annotated Bother Cc1nc(-c2ccccc2)sc1Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587010767 EI Annotated Anodyne C=CCc1cccc2nc(-c3sc(Br)nc3C)[nH]c12 ZINC000587010852 EI Annotated Mild Cc1nc(C)c(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587011037 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 ZINC000587011042 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587011070 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(F)c(Br)c3[nH]2)s1 ZINC000587011077 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587011086 EI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587011100 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000587011131 EI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(N)ccnc2[nH]1 ZINC000587011147 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(Br)cc(F)c3[nH]2)s1 ZINC000587011196 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3sc(C)nc3C)nc2c1 ZINC000587011228 EI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(C#N)c2[nH]1 ZINC000587011311 EI Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cncnc2[nH]1 ZINC000587011319 EI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C#N)cc2[nH]1 ZINC000587011343 EI Annotated Mild Cc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1F ZINC000587011390 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587011442 EI Annotated Anodyne Cc1nc2[nH]c(-c3sc(C4CC4)nc3C)nc2cc1Br ZINC000587011450 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587011452 EI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ncc[nH]c-2n1 ZINC000587011484 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 ZINC000587011516 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)s1 ZINC000587011517 EI Annotated Bother COc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cn1 ZINC000587011526 EI Annotated Anodyne COc1nccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c12 ZINC000587011529 EI Annotated Anodyne Cc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587011650 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(F)cc(Br)c3[nH]2)s1 ZINC000587011793 EI Annotated Anodyne Cc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 ZINC000587011898 EI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(CO)cc2[nH]1 ZINC000587011917 EI Annotated Anodyne N#Cc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587011918 EI Annotated Mild COc1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2n1 ZINC000587011959 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 ZINC000587012033 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 ZINC000587012056 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(Br)c(F)cc3[nH]2)s1 ZINC000587012075 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc(C4CC4)nc3C)nc2c1 ZINC000587012092 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587012106 EI Annotated Anodyne N#Cc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012147 EI Annotated Mild Cc1nc(C2CC2)sc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587012173 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587012328 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587012352 EI Annotated Anodyne Oc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012369 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cnc(Cl)[nH]c-4n3)c(C)s2)cc1 ZINC000587012408 EI Annotated Anodyne Cc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c(C)n1 ZINC000587012420 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4nc(Cl)c[nH]c-4n3)c(C)s2)cc1 ZINC000587012466 EI Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587012503 EI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587012553 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587012590 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587012644 EI Annotated Bother Cc1nc(C)c(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)s1 ZINC000587012660 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(Br)c(C)c3[nH]2)s1 ZINC000587012682 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587012689 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(Br)c(F)c3[nH]2)s1 ZINC000587012695 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cncc(Br)c2[nH]1 ZINC000587012822 EI Annotated Anodyne Cc1cncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012834 EI Annotated Anodyne Fc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012849 EI Annotated Anodyne Oc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012859 EI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587012902 EI Annotated Anodyne Fc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012934 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(N)c(N)cc4[nH]3)c(C)s2)cc1 ZINC000587012961 EI Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587012993 EI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587013032 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(C)c(Br)cc3[nH]2)s1 ZINC000587013044 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)s1 ZINC000587013103 EI Annotated Mild Cc1nc(C2CC2)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587013118 EI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587013145 EI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587013150 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(Cl)ncnc4[nH]3)c(C)s2)cc1 ZINC000587013161 EI Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(Br)cc(C)c3[nH]2)s1 ZINC000587013187 EI Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587013190 EI Annotated Anodyne Cc1nccc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587013251 EI Annotated Anodyne COc1cncc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c12 ZINC000587013283 EI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587013342 EI Annotated Anodyne Cc1ccnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587013411 EI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587013413 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(CO)cc4[nH]3)c(C)s2)cc1 ZINC000587013482 EI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587013599 EI Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587013628 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(C)cc3[nH]2)s1 ZINC000587013667 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(C)cc3[nH]2)s1 ZINC000587013669 EI Annotated Anodyne Cc1cccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587013929 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)s1 ZINC000587013990 EI Annotated Mild CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)s1 ZINC000587013991 EI Annotated Mild CCO[C@H](C)c1nc(C)c(-c2nc3c(C)cnc(Cl)c3[nH]2)s1 ZINC000587014049 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(C)cnc(Cl)c3[nH]2)s1 ZINC000587014053 EI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cnncc2[nH]1 ZINC000587014231 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)cc(OC)c3[nH]2)s1 ZINC000587014282 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)cc(OC)c3[nH]2)s1 ZINC000587014391 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(C)=O)cc3[nH]2)s1 ZINC000587014570 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(C)=O)cc3[nH]2)s1 ZINC000587014571 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC000587014669 EI Annotated Bother CCO[C@@H](C)c1nc(C)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)s1 ZINC000587014671 EI Annotated Bother Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014679 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(OC)cc3[nH]2)s1 ZINC000587014744 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(OC)cc3[nH]2)s1 ZINC000587014746 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(F)cnc(Cl)c3[nH]2)s1 ZINC000587014757 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(F)cnc(Cl)c3[nH]2)s1 ZINC000587014759 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(F)cc3[nH]2)s1 ZINC000587014874 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(F)cc3[nH]2)s1 ZINC000587014875 EI Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)s1 ZINC000587014891 EI Annotated Bother CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)s1 ZINC000587014892 EI Annotated Bother CCc1ccc(-c2nc(-c3nc4nc(Cl)c[nH]c-4n3)cs2)cc1 ZINC000587015091 EI Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccnc(O)c2[nH]1 ZINC000587015168 EI Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 ZINC000587015178 EI Annotated Bother CCO[C@@H](C)c1nc(C)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 ZINC000587015179 EI Annotated Bother Clc1cc(Cl)cc(-c2nc(-c3nc4cnncc4[nH]3)cs2)c1 ZINC000587015297 EI Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cncnc4[nH]3)cs2)c1Cl ZINC000587015326 EI Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cnncc4[nH]3)cs2)c1Cl ZINC000587015348 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4c(Cl)ncnc4[nH]3)cs2)cc1 ZINC000587015367 EI Annotated Anodyne COc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cn1 ZINC000587015460 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(OC)nc4[nH]3)cs2)cc1 ZINC000587015481 EI Annotated Anodyne Clc1ccc(-c2nc(-c3nc4c(Cl)ncnc4[nH]3)cs2)cc1 ZINC000587015487 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(CO)cc4[nH]3)cs2)cc1 ZINC000587015661 EI Annotated Anodyne Clc1ccc(-c2nc(-c3nc4cnc(Cl)[nH]c-4n3)cs2)cc1 ZINC000587015670 EI Annotated Anodyne COc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 ZINC000587015681 EI Annotated Anodyne Clc1ccc(-c2nc(-c3nc4nc(Cl)c[nH]c-4n3)cs2)cc1 ZINC000587015718 EI Annotated Anodyne COc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1OC ZINC000587015740 EI Annotated Anodyne COc1nccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587015758 EI Annotated Anodyne COc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Cl ZINC000587015764 EI Annotated Anodyne COc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Cl ZINC000587015766 EI Annotated Anodyne Clc1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1Cl ZINC000587015790 EI Annotated Anodyne Clc1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1Cl ZINC000587015791 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 ZINC000587015827 EI Annotated Mild N#Cc1cc(Cl)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 ZINC000587015828 EI Annotated Mild CC(C)(C)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2n1 ZINC000587015837 EI Annotated Anodyne Clc1cccc(-c2nc(-c3nc4ncc[nH]c-4n3)cs2)c1Cl ZINC000587015838 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2n1 ZINC000587015839 EI Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4ncc[nH]c-4n3)cs2)c1 ZINC000587015864 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cnc(Cl)[nH]c-4n3)cs2)cc1 ZINC000587015888 EI Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cncnc4[nH]3)cs2)c1 ZINC000587015930 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(N)c(N)cc4[nH]3)cs2)cc1 ZINC000587015968 EI Annotated Anodyne COc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1F ZINC000587016009 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cs2)o1 ZINC000587016025 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)cs2)o1 ZINC000587016084 EI Annotated Mild Fc1c(F)c(F)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1F ZINC000587016086 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1F ZINC000587016087 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(OC)ncc4[nH]3)cs2)cc1 ZINC000587016089 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cs2)o1 ZINC000587016097 EI Annotated Bother OCc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 ZINC000587016106 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccnc(OC)c4[nH]3)cs2)cc1 ZINC000587016182 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)o1 ZINC000587016242 EI Annotated Anodyne Clc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2nc1Cl ZINC000587016249 EI Annotated Anodyne Clc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2nc1Cl ZINC000587016250 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cncc(OC)c4[nH]3)cs2)cc1 ZINC000587016304 EI Annotated Anodyne COC(=O)c1cccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c12 ZINC000587016324 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cs2)o1 ZINC000587016352 EI Annotated Bother Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cs2)o1 ZINC000587016364 EI Annotated Bother CC(C)Oc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016377 EI Annotated Anodyne CC(C)Oc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016379 EI Annotated Anodyne COc1cncc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587016436 EI Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(CCO)cc4[nH]3)cs2)cc1 ZINC000587016575 EI Annotated Anodyne Oc1nccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587016595 EI Annotated Anodyne COc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587016688 EI Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3ccnc(Cl)c3[nH]2)cs1 ZINC000587016766 EI Annotated Anodyne COc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1C ZINC000587016804 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587016826 EI Annotated Mild c1sc([C@@H]2CCCO2)nc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587016859 EI Annotated Anodyne Cc1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1[N+](=O)[O-] ZINC000587016860 EI Annotated Bother c1sc([C@H]2CCCO2)nc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587016861 EI Annotated Anodyne Clc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c(Cl)n1 ZINC000587017012 EI Annotated Anodyne Clc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c(Cl)n1 ZINC000587017014 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587017162 EI Annotated Anodyne COc1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017184 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 ZINC000587017190 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 ZINC000587017193 EI Annotated Anodyne COc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1F ZINC000587017235 EI Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 ZINC000587017267 EI Annotated Anodyne N#Cc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017287 EI Annotated Mild COc1cc(OC)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1 ZINC000587017288 EI Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3c(Cl)ccnc3[nH]2)cs1 ZINC000587017327 EI Annotated Anodyne Cc1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587017330 EI Annotated Anodyne Fc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017349 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cs2)o1 ZINC000587017353 EI Annotated Bother Fc1c(Cl)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1F ZINC000587017437 EI Annotated Anodyne Fc1c(Cl)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1F ZINC000587017439 EI Annotated Anodyne COc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017510 EI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587017572 EI Annotated Anodyne Clc1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587017624 EI Annotated Anodyne N#Cc1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017680 EI Annotated Mild Cc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 ZINC000587017713 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cs2)o1 ZINC000587017762 EI Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cs2)o1 ZINC000587017803 EI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c32)n1 ZINC000587017808 EI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c32)n1 ZINC000587017809 EI Annotated Anodyne Cc1ccnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 ZINC000587017825 EI Annotated Anodyne Fc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c(F)c1F ZINC000587017841 EI Annotated Anodyne Cc1nccc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 ZINC000587017884 EI Annotated Anodyne N#Cc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017976 EI Annotated Mild Cc1cncc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017999 EI Annotated Anodyne Fc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587018119 EI Annotated Anodyne Oc1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587018148 EI Annotated Anodyne c1coc(-c2nc(Cc3nc4ccc5ncccc5c4[nH]3)cs2)c1 ZINC000587018186 EI Annotated Anodyne Cc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c(C)n1 ZINC000587018213 EI Annotated Anodyne Clc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cn1 ZINC000587018221 EI Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cncc(Cl)c3[nH]2)cs1 ZINC000587018242 EI Annotated Anodyne Clc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 ZINC000587018246 EI Annotated Anodyne c1coc(-c2nc(Cc3nc4cnc5ccccc5c4[nH]3)cs2)c1 ZINC000587018272 EI Annotated Anodyne Cc1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c(C)n1 ZINC000587018292 EI Annotated Anodyne c1ccc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 ZINC000587018349 EI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(F)cc3[nH]2)cs1 ZINC000587019409 EI Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1 ZINC000587019481 EI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(F)cnc4[nH]3)c2)cs1 ZINC000587019976 EI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cccc(O)c4[nH]3)c2)cs1 ZINC000587020210 EI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(C#N)cc4[nH]3)c2)cs1 ZINC000587020224 EI Annotated Mild Cc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2n1 ZINC000587020228 EI Annotated Anodyne Cc1cccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587020269 EI Annotated Anodyne COc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1F ZINC000587020394 EI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(C)nccc4[nH]3)c2)cs1 ZINC000587020424 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2n1 ZINC000587020477 EI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cs1 ZINC000587020510 EI Annotated Bother Cc1nc(COc2cccc(-c3nc4c(C)ccnc4[nH]3)c2)cs1 ZINC000587020525 EI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cs1 ZINC000587020566 EI Annotated Anodyne Cc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020588 EI Annotated Anodyne N#Cc1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)s1 ZINC000587020668 EI Annotated Mild N#Cc1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587020673 EI Annotated Mild N=c1[nH]c(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cs1 ZINC000587020699 EI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cncc(C)c4[nH]3)c2)cs1 ZINC000587020801 EI Annotated Anodyne Clc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 ZINC000587020816 EI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cccc(C(F)(F)F)c4[nH]3)s2)cn1 ZINC000587020842 EI Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cccc(C#N)c4[nH]3)c2)cs1 ZINC000587020872 EI Annotated Mild c1ccc(Cc2ncc(-c3nc4cc5c(cc4[nH]3)OCO5)s2)cc1 ZINC000587020894 EI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)s2)cn1 ZINC000587020922 EI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587020950 EI Annotated Anodyne COC(=O)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587020965 EI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cs1 ZINC000587021044 EI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4ncncc4[nH]3)cc2)n1 ZINC000587021084 EI Annotated Anodyne Clc1nccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021131 EI Annotated Anodyne N#Cc1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)s1 ZINC000587021203 EI Annotated Mild CC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021219 EI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cn1 ZINC000587021291 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021360 EI Annotated Bother Clc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 ZINC000587021365 EI Annotated Anodyne Clc1cncc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021371 EI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)s1 ZINC000587021426 EI Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)s1 ZINC000587021430 EI Annotated Anodyne N#Cc1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587021437 EI Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1 ZINC000587021492 EI Annotated Bother Cc1nc(-c2c[nH]cc2-c2nc3c(C)cnc(Cl)c3[nH]2)cs1 ZINC000587021531 EI Annotated Anodyne c1ccc(Cc2ncc(-c3nc4cc5c(cc4[nH]3)OCCO5)s2)cc1 ZINC000587021565 EI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021577 EI Annotated Bother Clc1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587021604 EI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)ncc3[nH]2)cs1 ZINC000587021607 EI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cs1 ZINC000587021634 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021695 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021699 EI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cnncc4[nH]3)cc2)n1 ZINC000587021711 EI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cccc(C(C)(C)C)c4[nH]3)s2)cn1 ZINC000587021766 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 ZINC000587021806 EI Annotated Anodyne Clc1ccnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587021820 EI Annotated Anodyne Cc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br ZINC000587021885 EI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cs1 ZINC000587021899 EI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 ZINC000587021904 EI Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)cnc3[nH]2)cs1 ZINC000587021911 EI Annotated Anodyne COc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1F ZINC000587021917 EI Annotated Anodyne c1ccc(Cc2ncc(-c3nc4cc5cn[nH]c5cc4[nH]3)s2)cc1 ZINC000587021930 EI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cs1 ZINC000587022059 EI Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587022181 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 ZINC000587022221 EI Annotated Anodyne N#Cc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1C#N ZINC000587022228 EI Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3c(F)cnc(Cl)c3[nH]2)cs1 ZINC000587022253 EI Annotated Anodyne N#Cc1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)s1 ZINC000587022267 EI Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cs1 ZINC000587022299 EI Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4ncc[nH]c-4n3)cc2)n1 ZINC000587022360 EI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587022385 EI Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cs1 ZINC000587022388 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc12 ZINC000587022426 EI Annotated Anodyne Cc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Cl ZINC000587022431 EI Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc5ccccc5cc4[nH]3)s2)cn1 ZINC000587022445 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 ZINC000587022472 EI Annotated Anodyne COc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1OC ZINC000587022522 EI Annotated Anodyne C=CCc1cccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c12 ZINC000587022556 EI Annotated Mild COc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1C ZINC000587022561 EI Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)s1 ZINC000587022585 EI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)s1 ZINC000587022586 EI Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587022659 EI Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)s1 ZINC000587022660 EI Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 ZINC000587022858 EI Annotated Anodyne Fc1cc2[nH]c(-c3cnc(Cl)s3)nc2cc1Br ZINC000587022897 EI Annotated Anodyne N#Cc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1C(F)(F)F ZINC000587022924 EI Annotated Mild Cc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1F ZINC000587022945 EI Annotated Anodyne c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)s2)n1 ZINC000587022947 EI Annotated Anodyne Fc1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1Br ZINC000587023024 EI Annotated Anodyne c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)n1 ZINC000587023025 EI Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 ZINC000587023053 EI Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 ZINC000587023054 EI Annotated Anodyne Cc1cc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c(C)n1 ZINC000587023073 EI Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)cc1N ZINC000587023085 EI Annotated Anodyne Cc1cc(F)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023086 EI Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 ZINC000587023094 EI Annotated Anodyne FC(F)(F)c1ncc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2n1 ZINC000587023111 EI Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023259 EI Annotated Bother Fc1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587023402 EI Annotated Anodyne COc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1OC ZINC000587023540 EI Annotated Anodyne c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)s2)n1 ZINC000587023561 EI Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 ZINC000587023569 EI Annotated Mild Clc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 ZINC000587023627 EI Annotated Bother O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023657 EI Annotated Anodyne COc1cccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023678 EI Annotated Anodyne Fc1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587023691 EI Annotated Anodyne N#Cc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1C#N ZINC000587023804 EI Annotated Mild N#Cc1nc(Cl)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023862 EI Annotated Mild O=C(O)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1F ZINC000587023878 EI Annotated Anodyne Cc1cccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023884 EI Annotated Anodyne Cc1c(F)ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023915 EI Annotated Anodyne Clc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1 ZINC000587023920 EI Annotated Bother O=C1CCc2cc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3cc2N1 ZINC000587023965 EI Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cccc3[nH]2)s1 ZINC000587023970 EI Annotated Anodyne Cc1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587024008 EI Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 ZINC000587024092 EI Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1F ZINC000587024139 EI Annotated Bother N#Cc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1C#N ZINC000587024183 EI Annotated Mild N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587024653 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587024656 EI Annotated Anodyne CC(C)(C)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024666 EI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C/c3ccsc3)nc2c1 ZINC000587024708 EI Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C\c3ccsc3)nc2c1 ZINC000587024713 EI Annotated Mild c1cc(CSCc2nc3cc4c(cc3[nH]2)OCCCO4)cs1 ZINC000587024756 EI Annotated Anodyne FC1(F)Oc2cc3nc(CSCc4ccsc4)[nH]c3cc2O1 ZINC000587024864 EI Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587024934 EI Annotated Anodyne CCOC(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587024943 EI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3ccsc3)nc1-2 ZINC000587025053 EI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3ccsc3)nc1-2 ZINC000587025054 EI Annotated Anodyne Sc1nnc(SCc2nc3cc4ccccc4cc3[nH]2)s1 ZINC000587025204 EI Annotated Anodyne Sc1nnc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)s1 ZINC000587025206 EI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587025224 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587025226 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587025283 EI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587025284 EI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587025291 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587025292 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587025492 EI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587025493 EI Annotated Anodyne Sc1nnc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)s1 ZINC000587025531 EI Annotated Anodyne FC(F)(F)c1cc2nc(CSCc3ccsc3)[nH]c2cn1 ZINC000587025597 EI Annotated Anodyne FC(F)(F)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025789 EI Annotated Anodyne FC(F)(F)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025799 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587025868 EI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587025869 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587025939 EI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C/c3ccsc3)[nH]c12 ZINC000587026018 EI Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3ccsc3)[nH]c12 ZINC000587026019 EI Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587026040 EI Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587026041 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)cnc2[nH]1 ZINC000587026354 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587026360 EI Annotated Anodyne COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1F ZINC000587026393 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587026405 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587026416 EI Annotated Anodyne Cc1ncsc1CCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587026426 EI Annotated Anodyne Cc1c(Br)cc2nc([C@H](N)c3ccsc3)[nH]c2c1C ZINC000587026580 EI Annotated Anodyne Cc1c(Br)cc2nc([C@@H](N)c3ccsc3)[nH]c2c1C ZINC000587026585 EI Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)cc1 ZINC000587026599 EI Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)cc1 ZINC000587026628 EI Annotated Clean Cc1oc(-c2ccsc2)nc1Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587026788 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587026927 EI Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2n1 ZINC000587026948 EI Annotated Anodyne Cc1ncsc1CCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587026956 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587026959 EI Annotated Mild O=C1COc2cc3[nH]c(-c4cccc(-c5ccsc5)c4)nc3cc2N1 ZINC000587026972 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587027024 EI Annotated Anodyne COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1C ZINC000587027057 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587027059 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Cl)nc2[nH]1 ZINC000587027066 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587027072 EI Annotated Anodyne Brc1cnc2[nH]c(CSCc3ccsc3)nc2c1 ZINC000587027198 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cncc(Cl)c2[nH]1 ZINC000587027238 EI Annotated Anodyne COc1cccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 ZINC000587027246 EI Annotated Anodyne Sc1nc(S)c2nc(-c3cccc(-c4ccsc4)c3)[nH]c2n1 ZINC000587027247 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587027250 EI Annotated Bother COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 ZINC000587027251 EI Annotated Anodyne Cc1cc2nc(CCc3scnc3C)[nH]c2cc1Br ZINC000587027262 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(CCc3scnc3C)nc2c1 ZINC000587027266 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587027268 EI Annotated Bother COc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1OC ZINC000587027293 EI Annotated Anodyne N#Cc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1C#N ZINC000587027320 EI Annotated Mild O=C1CCc2cc3nc(-c4ncsc4-c4ccccc4)[nH]c3cc2N1 ZINC000587027340 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587027342 EI Annotated Bother O=C(O)c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1F ZINC000587027343 EI Annotated Anodyne FC(F)(F)c1ncc2nc(-c3ncsc3-c3ccccc3)nc-2[nH]1 ZINC000587027362 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1 ZINC000587027408 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 ZINC000587027410 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 ZINC000587027411 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587027419 EI Annotated Anodyne Brc1ccnc2[nH]c(CSCc3ccsc3)nc12 ZINC000587027491 EI Annotated Anodyne Brc1cncc2nc(CSCc3ccsc3)[nH]c12 ZINC000587027536 EI Annotated Anodyne Fc1cc2[nH]c(CSCc3ccsc3)nc2cc1-n1cccn1 ZINC000587027558 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccnc(Cl)c2[nH]1 ZINC000587027563 EI Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cn1 ZINC000587027580 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)ncc2[nH]1 ZINC000587027582 EI Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)ccnc2[nH]1 ZINC000587027600 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587027615 EI Annotated Anodyne Cc1ncsc1CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587027617 EI Annotated Anodyne Cc1ncsc1CCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587027660 EI Annotated Anodyne Cc1ncsc1CCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587027669 EI Annotated Anodyne Cc1ncsc1CCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587027746 EI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587027791 EI Annotated Bother Brc1ccc2nc(CSCc3ccsc3)[nH]c2n1 ZINC000587027812 EI Annotated Anodyne COc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1F ZINC000587027851 EI Annotated Anodyne Brc1nccc2nc(CSCc3ccsc3)[nH]c12 ZINC000587027939 EI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587027993 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1F ZINC000587028003 EI Annotated Bother N#Cc1nc(Cl)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 ZINC000587028017 EI Annotated Mild COc1cc(OC)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 ZINC000587028024 EI Annotated Anodyne Brc1cc2nc(CSCc3ccsc3)[nH]c2cn1 ZINC000587028064 EI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587028087 EI Annotated Anodyne Cc1cc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2cc1[N+](=O)[O-] ZINC000587028218 EI Annotated Bother Cc1ncsc1CCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587028288 EI Annotated Bother COc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1OC ZINC000587028313 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CSCc3ccsc3)nc2c1 ZINC000587028440 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 ZINC000587028574 EI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587028592 EI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587028626 EI Annotated Anodyne Cc1ncsc1CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587028640 EI Annotated Anodyne c1ccc(-c2scnc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587028660 EI Annotated Anodyne COC(=O)c1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 ZINC000587028671 EI Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587028753 EI Annotated Anodyne Fc1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587028871 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2c(C)n1 ZINC000587028874 EI Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587028897 EI Annotated Anodyne Clc1cnc2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029048 EI Annotated Anodyne Clc1ccnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 ZINC000587029052 EI Annotated Anodyne Cc1c(-c2nc3c(C)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029173 EI Annotated Anodyne Clc1nccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029204 EI Annotated Anodyne Clc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 ZINC000587029253 EI Annotated Anodyne Clc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 ZINC000587029256 EI Annotated Anodyne c1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(OCc2cscn2)c1 ZINC000587029316 EI Annotated Anodyne N#Cc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029646 EI Annotated Mild Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029660 EI Annotated Anodyne COc1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029692 EI Annotated Anodyne Clc1cncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029802 EI Annotated Anodyne Fc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587030000 EI Annotated Anodyne N#Cc1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587030031 EI Annotated Mild Nc1c(-c2nc3cnccc3[nH]2)sc2cc(Br)ccc12 ZINC000587030215 EI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnncc4[nH]3)c21 ZINC000587030321 EI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnncc4[nH]3)c21 ZINC000587030322 EI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c[nH]c(=N)cc4[nH]3)c21 ZINC000587030716 EI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c[nH]c(=N)cc4[nH]3)c21 ZINC000587030718 EI Annotated Anodyne Nc1c(-c2nc3cccnc3[nH]2)sc2cc(Br)ccc12 ZINC000587030938 EI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncncc4[nH]3)c21 ZINC000587031075 EI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncncc4[nH]3)c21 ZINC000587031077 EI Annotated Anodyne Brc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587031115 EI Annotated Anodyne N#Cc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1C(F)(F)F ZINC000587031145 EI Annotated Mild O=C1CCc2cc3nc(-c4csc5ccc(O)cc45)[nH]c3cc2N1 ZINC000587031298 EI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(=N)[nH]ccc4[nH]3)c21 ZINC000587031429 EI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(=N)[nH]ccc4[nH]3)c21 ZINC000587031431 EI Annotated Anodyne Cc1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587031513 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 ZINC000587031641 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3csc4c3CCOC4)nc12 ZINC000587031724 EI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(N)c4[nH]3)c21 ZINC000587031764 EI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(N)c4[nH]3)c21 ZINC000587031767 EI Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc[nH]c-4n3)c21 ZINC000587031912 EI Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc[nH]c-4n3)c21 ZINC000587031917 EI Annotated Anodyne Oc1ccc2scc(-c3nc4ccc(Br)nc4[nH]3)c2c1 ZINC000587031922 EI Annotated Anodyne Brc1cccc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587031925 EI Annotated Anodyne Oc1ccc2scc(-c3nc4c(Br)ccnc4[nH]3)c2c1 ZINC000587032005 EI Annotated Anodyne c1ccn(-c2sc3c(c2-c2nc4cc5[nH]ncc5cc4[nH]2)CCC3)c1 ZINC000587032014 EI Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587032093 EI Annotated Anodyne Clc1cc2nc(-c3csc4c3CCOC4)[nH]c2nc1Cl ZINC000587032097 EI Annotated Anodyne OCCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587032225 EI Annotated Anodyne Oc1ccc2scc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2c1 ZINC000587032258 EI Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 ZINC000587032259 EI Annotated Anodyne Oc1ccc2scc(-c3nc4cc(Br)ncc4[nH]3)c2c1 ZINC000587032263 EI Annotated Anodyne N#Cc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587032265 EI Annotated Mild N#Cc1nc(Cl)cc2nc(-c3csc4ccc(O)cc34)[nH]c12 ZINC000587032406 EI Annotated Mild COc1cc(OC)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1 ZINC000587032411 EI Annotated Anodyne Oc1ccc2scc(-c3nc4cncc(Br)c4[nH]3)c2c1 ZINC000587032413 EI Annotated Anodyne Cc1cc2[nH]c(-c3csc4ccc(O)cc34)nc2cc1[N+](=O)[O-] ZINC000587032427 EI Annotated Bother Cc1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587032432 EI Annotated Anodyne Clc1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1Cl ZINC000587032442 EI Annotated Anodyne Fc1c(Cl)cc2nc(-c3csc4c3CCOC4)[nH]c2c1F ZINC000587032496 EI Annotated Anodyne Cc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br ZINC000587032505 EI Annotated Anodyne Clc1cc2nc(-c3csc4c3CCOC4)[nH]c2c(Cl)n1 ZINC000587032508 EI Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587032595 EI Annotated Anodyne Oc1ccc2scc(-c3nc4ccnc(Br)c4[nH]3)c2c1 ZINC000587032740 EI Annotated Anodyne Oc1ccc2scc(-c3nc4cc(Br)cnc4[nH]3)c2c1 ZINC000587033030 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1F ZINC000587033040 EI Annotated Bother Clc1ncnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 ZINC000587033087 EI Annotated Anodyne COc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1OC ZINC000587033095 EI Annotated Anodyne c1ccn(-c2sc3c(c2-c2nc4cc5c(cc4[nH]2)OCO5)CCC3)c1 ZINC000587033103 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2C1 ZINC000587033127 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2C1 ZINC000587033128 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2C1 ZINC000587033129 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2C1 ZINC000587033130 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2C1 ZINC000587033155 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2C1 ZINC000587033156 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2C1 ZINC000587033159 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2C1 ZINC000587033160 EI Annotated Anodyne COc1cc(OC)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1 ZINC000587033201 EI Annotated Anodyne COc1cc(OC)c2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2c1 ZINC000587033202 EI Annotated Anodyne N#Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033518 EI Annotated Mild OCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033583 EI Annotated Anodyne Oc1ccc2scc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2c1 ZINC000587033643 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2C1 ZINC000587033752 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2C1 ZINC000587033753 EI Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587033825 EI Annotated Mild Fc1c(Cl)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1F ZINC000587033925 EI Annotated Anodyne Fc1c(Cl)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1F ZINC000587033929 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)cc2C1 ZINC000587034119 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)cc2C1 ZINC000587034120 EI Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc4c(s3)CCC4)[nH]c12 ZINC000587034141 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2C1 ZINC000587034274 EI Annotated Bother C[C@H]1CCc2sc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2C1 ZINC000587034275 EI Annotated Bother C[C@@H]1CCc2sc(-c3nc4c(C#N)nc(Cl)cc4[nH]3)cc2C1 ZINC000587034367 EI Annotated Mild C[C@H]1CCc2sc(-c3nc4c(C#N)nc(Cl)cc4[nH]3)cc2C1 ZINC000587034369 EI Annotated Mild Oc1c(Br)ccc2[nH]c(-c3cc4c(s3)CCC4)nc12 ZINC000587034421 EI Annotated Anodyne CC(C)Oc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034463 EI Annotated Anodyne CC(C)Oc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034464 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1F ZINC000587034499 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1F ZINC000587034500 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c32)n1 ZINC000587034521 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c32)n1 ZINC000587034524 EI Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587034655 EI Annotated Anodyne COc1cc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2cc1OC ZINC000587034666 EI Annotated Anodyne COc1cc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2cc1OC ZINC000587034667 EI Annotated Anodyne Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Cl ZINC000587034687 EI Annotated Anodyne Cc1c(Cl)ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587034724 EI Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3cc4c(s3)CCC4)[nH]c12 ZINC000587034806 EI Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2C1 ZINC000587034816 EI Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2C1 ZINC000587034818 EI Annotated Anodyne O=C(NCc1nc2cc3ccccc3cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035108 EI Annotated Anodyne Cc1cc(Cl)cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587035138 EI Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2n1 ZINC000587035981 EI Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2n1 ZINC000587035982 EI Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587036429 EI Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587036430 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587036433 EI Annotated Mild N#Cc1cc(Cl)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587036434 EI Annotated Mild Clc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2nc1Cl ZINC000587036483 EI Annotated Anodyne Clc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2nc1Cl ZINC000587036484 EI Annotated Anodyne Clc1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1Cl ZINC000587036532 EI Annotated Anodyne Clc1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1Cl ZINC000587036533 EI Annotated Anodyne Brc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587036674 EI Annotated Anodyne Brc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587036675 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Cl ZINC000587036713 EI Annotated Bother O=[N+]([O-])c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Cl ZINC000587036714 EI Annotated Bother FC(F)(F)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587036734 EI Annotated Anodyne FC(F)(F)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587036735 EI Annotated Anodyne Clc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c(Cl)n1 ZINC000587036744 EI Annotated Anodyne Clc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c(Cl)n1 ZINC000587036745 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cn1 ZINC000587036750 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cn1 ZINC000587036751 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 ZINC000587036784 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 ZINC000587036785 EI Annotated Anodyne COc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Cl ZINC000587036804 EI Annotated Anodyne COc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Cl ZINC000587036833 EI Annotated Anodyne COc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1OC ZINC000587036855 EI Annotated Anodyne COc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1OC ZINC000587036857 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@@H]3SCCc4sccc43)nc2c1 ZINC000587036859 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@H]3SCCc4sccc43)nc2c1 ZINC000587036860 EI Annotated Anodyne FC(F)(F)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587036906 EI Annotated Anodyne FC(F)(F)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587036907 EI Annotated Anodyne Fc1cnc(Br)c2nc(-c3cc4c(s3)CCC4)[nH]c12 ZINC000587036976 EI Annotated Anodyne Fc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2c(F)c1F ZINC000587037102 EI Annotated Anodyne Fc1cc2nc([C@H]3SCCc4sccc43)[nH]c2c(F)c1F ZINC000587037104 EI Annotated Anodyne c1cc2c(s1)CCS[C@@H]2c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587037434 EI Annotated Anodyne c1cc2c(s1)CCS[C@H]2c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587037440 EI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1F ZINC000587037712 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1F ZINC000587037717 EI Annotated Bother Cc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1[N+](=O)[O-] ZINC000587037841 EI Annotated Bother Cc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1[N+](=O)[O-] ZINC000587037846 EI Annotated Bother CCOC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037856 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037857 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(C[C@H]3OCCc4ccsc43)nc12 ZINC000587037859 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 ZINC000587037860 EI Annotated Anodyne Brc1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587037876 EI Annotated Anodyne Brc1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587037877 EI Annotated Anodyne Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1C ZINC000587037942 EI Annotated Anodyne Cc1cc(C)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587038310 EI Annotated Anodyne Cc1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587038402 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587038740 EI Annotated Anodyne C=CCc1cccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587038936 EI Annotated Mild Cc1nccc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587039062 EI Annotated Anodyne Clc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039182 EI Annotated Anodyne Clc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039193 EI Annotated Anodyne Clc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039194 EI Annotated Anodyne Clc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587039196 EI Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cnncc2[nH]1 ZINC000587039307 EI Annotated Anodyne CCc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587039513 EI Annotated Anodyne C=CCc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039761 EI Annotated Mild C=CCc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039762 EI Annotated Mild C=CCc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039763 EI Annotated Mild C=CCc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039764 EI Annotated Mild Clc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039765 EI Annotated Anodyne Clc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039766 EI Annotated Anodyne Clc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039767 EI Annotated Anodyne Clc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039768 EI Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587040117 EI Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 ZINC000587040220 EI Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 ZINC000587040222 EI Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 ZINC000587040223 EI Annotated Anodyne c1ccc(C[C@@H]2N[C@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 ZINC000587040224 EI Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cncnc2[nH]1 ZINC000587040380 EI Annotated Anodyne Fc1cc2[nH]c(Cc3csc4nccn34)nc2cc1C(F)(F)F ZINC000587040435 EI Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 ZINC000587040619 EI Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 ZINC000587040620 EI Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 ZINC000587040621 EI Annotated Anodyne c1ccc(C[C@@H]2N[C@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 ZINC000587040622 EI Annotated Anodyne Cc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587040654 EI Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587040831 EI Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2ncc[nH]c-2n1 ZINC000587040870 EI Annotated Anodyne Oc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040882 EI Annotated Anodyne Cc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587041061 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc12 ZINC000587041063 EI Annotated Anodyne Brc1ccnc2[nH]c([C@H]3Cc4ccccc4S3)nc12 ZINC000587041162 EI Annotated Anodyne Brc1ccnc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 ZINC000587041166 EI Annotated Anodyne Fc1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1Cl ZINC000587041211 EI Annotated Anodyne Fc1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1Cl ZINC000587041213 EI Annotated Anodyne Fc1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1Cl ZINC000587041217 EI Annotated Anodyne Fc1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1Cl ZINC000587041219 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3Cc4ccccc4S3)nc12 ZINC000587041340 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 ZINC000587041348 EI Annotated Anodyne Oc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587041385 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587041598 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587041775 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587041778 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587041785 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587041787 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587041870 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587041873 EI Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 ZINC000587041980 EI Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 ZINC000587041983 EI Annotated Anodyne c1ccc(C[C@@H]2N[C@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 ZINC000587041984 EI Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 ZINC000587041985 EI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587042232 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042314 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042315 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042316 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042317 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042665 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042666 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042667 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042668 EI Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3cnccc3[nH]2)c1 ZINC000587042671 EI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(F)c2[nH]1 ZINC000587042748 EI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(F)c2[nH]1 ZINC000587042749 EI Annotated Anodyne Brc1nccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 ZINC000587042823 EI Annotated Anodyne Brc1nccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 ZINC000587042824 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587042840 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587042842 EI Annotated Anodyne CC(C)Oc1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 ZINC000587042876 EI Annotated Anodyne Fc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587042997 EI Annotated Anodyne Cc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587043075 EI Annotated Anodyne Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587043077 EI Annotated Anodyne Cc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587043079 EI Annotated Anodyne Cc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl ZINC000587043080 EI Annotated Anodyne Cc1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587043144 EI Annotated Anodyne Cc1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587043145 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3ccccc3cc2[nH]1 ZINC000587043347 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3ccccc3cc2[nH]1 ZINC000587043349 EI Annotated Anodyne CSc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043394 EI Annotated Anodyne CSc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043409 EI Annotated Anodyne CSc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043410 EI Annotated Anodyne CSc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043411 EI Annotated Anodyne Fc1cc(Cl)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043447 EI Annotated Anodyne Fc1cc(Cl)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043449 EI Annotated Anodyne Fc1cc(Cl)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043451 EI Annotated Anodyne Fc1cc(Cl)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043452 EI Annotated Anodyne Cc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587043526 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 ZINC000587043576 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 ZINC000587043577 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 ZINC000587043592 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 ZINC000587043593 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587043672 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587043673 EI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000587043731 EI Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000587043732 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587043865 EI Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2N1 ZINC000587043919 EI Annotated Anodyne Fc1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1-n1cccn1 ZINC000587044016 EI Annotated Anodyne Fc1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1-n1cccn1 ZINC000587044018 EI Annotated Anodyne Brc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cn1 ZINC000587044050 EI Annotated Anodyne Brc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cn1 ZINC000587044051 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@@H]4Cc5ccccc5S4)[nH]c3cc2O1 ZINC000587044068 EI Annotated Anodyne FC1(F)Oc2cc3nc([C@H]4Cc5ccccc5S4)[nH]c3cc2O1 ZINC000587044069 EI Annotated Anodyne Brc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2n1 ZINC000587044072 EI Annotated Anodyne Brc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2n1 ZINC000587044073 EI Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2N1 ZINC000587044132 EI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c32)n1 ZINC000587044133 EI Annotated Anodyne O=C1CSc2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587044138 EI Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3cccnc3[nH]2)c1 ZINC000587044199 EI Annotated Anodyne Cc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1 ZINC000587044204 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587044238 EI Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587044239 EI Annotated Anodyne Cc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587044441 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(F)cnc2[nH]1 ZINC000587044495 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(O)cc2[nH]1 ZINC000587044499 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C)nc2[nH]1 ZINC000587044506 EI Annotated Anodyne Cc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587044533 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587044680 EI Annotated Mild COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)ccnc2[nH]1 ZINC000587044725 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)nccc2[nH]1 ZINC000587044756 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc(C)c2[nH]1 ZINC000587044906 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)cnc2[nH]1 ZINC000587044981 EI Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(O)c2[nH]1 ZINC000587044985 EI Annotated Anodyne COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc(Cl)c1O ZINC000587045640 EI Annotated Anodyne COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Cl)c1O ZINC000587045688 EI Annotated Anodyne COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Cl)c1O ZINC000587045867 EI Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Cl)c1O ZINC000587046125 EI Annotated Anodyne COc1cc(-c2nc3cccnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046162 EI Annotated Anodyne COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Cl)c1O ZINC000587046248 EI Annotated Anodyne COc1cc(-c2nc3ccnc(O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046272 EI Annotated Anodyne COc1cc(-c2nc3ccc4ncccc4c3[nH]2)cc(Cl)c1O ZINC000587046394 EI Annotated Anodyne COc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Cl)c1O ZINC000587046411 EI Annotated Anodyne COc1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(Cl)c1O ZINC000587046419 EI Annotated Mild COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc(Cl)c1O ZINC000587046423 EI Annotated Anodyne COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Cl)c1O ZINC000587046434 EI Annotated Anodyne COc1cc(-c2nc3cc(F)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046563 EI Annotated Anodyne COc1cc(-c2nc3cnccc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046589 EI Annotated Anodyne COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Cl)c1O ZINC000587046613 EI Annotated Anodyne COc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(Cl)c1O ZINC000587046614 EI Annotated Anodyne COc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc(Cl)c1O ZINC000587046621 EI Annotated Anodyne COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Cl)c1O ZINC000587046640 EI Annotated Anodyne COc1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047102 EI Annotated Bother COc1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047103 EI Annotated Bother N#Cc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1C#N ZINC000587047312 EI Annotated Mild N#Cc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1C#N ZINC000587047313 EI Annotated Mild O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)cnc3[nH]2)ccc1Cl ZINC000587047335 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)cnc3[nH]2)ccc1Cl ZINC000587047336 EI Annotated Bother Cc1cc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c(C)n1 ZINC000587047471 EI Annotated Bother Cc1cc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c(C)n1 ZINC000587047472 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Cl)nc3[nH]2)ccc1Cl ZINC000587047565 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Cl)nc3[nH]2)ccc1Cl ZINC000587047566 EI Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047691 EI Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047692 EI Annotated Bother O=[N+]([O-])c1cncc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047693 EI Annotated Bother O=[N+]([O-])c1cncc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587047694 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl ZINC000587047711 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl ZINC000587047713 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccnc(Cl)c3[nH]2)ccc1Cl ZINC000587047782 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3ccnc(Cl)c3[nH]2)ccc1Cl ZINC000587047783 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)ncc3[nH]2)ccc1Cl ZINC000587047813 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)ncc3[nH]2)ccc1Cl ZINC000587047814 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cncc(Cl)c3[nH]2)ccc1Cl ZINC000587048192 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cncc(Cl)c3[nH]2)ccc1Cl ZINC000587048193 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)ccnc3[nH]2)ccc1Cl ZINC000587048307 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)ccnc3[nH]2)ccc1Cl ZINC000587048310 EI Annotated Bother CC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048347 EI Annotated Bother CC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048348 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000587048413 EI Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000587048414 EI Annotated Bother O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cncnc4[nH]3)c2)c1 ZINC000587048484 EI Annotated Anodyne COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587048568 EI Annotated Bother COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587048576 EI Annotated Bother Nc1ccnc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 ZINC000587048679 EI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049062 EI Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049064 EI Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049069 EI Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587049073 EI Annotated Bother O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cnncc4[nH]3)c2)c1 ZINC000587049186 EI Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccnc(O)c4[nH]3)c2)c1 ZINC000587049192 EI Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587049412 EI Annotated Anodyne Oc1nncc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587049624 EI Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587049720 EI Annotated Anodyne N=c1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c[nH]1 ZINC000587049869 EI Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ncc[nH]c-4n3)c2)c1 ZINC000587049884 EI Annotated Anodyne Clc1ncc2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2[nH]1 ZINC000587049906 EI Annotated Anodyne Nc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N ZINC000587050005 EI Annotated Anodyne Nc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N ZINC000587050006 EI Annotated Anodyne Nc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N ZINC000587050007 EI Annotated Anodyne Nc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N ZINC000587050010 EI Annotated Anodyne Nc1ncnc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 ZINC000587050214 EI Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl ZINC000587050432 EI Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl ZINC000587050434 EI Annotated Bother Clc1c[nH]c2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2n1 ZINC000587050647 EI Annotated Anodyne N=c1[nH]ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 ZINC000587050845 EI Annotated Anodyne O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587050992 EI Annotated Bother N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587051870 EI Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587052258 EI Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587052319 EI Annotated Anodyne OCCc1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 ZINC000587052441 EI Annotated Anodyne CCc1cc(OCc2nc3cc(OC)c(OC)cc3[nH]2)ccc1Cl ZINC000587052463 EI Annotated Anodyne CCc1cc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1Cl ZINC000587052486 EI Annotated Anodyne CCc1cc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Cl ZINC000587052522 EI Annotated Anodyne CCc1cc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Cl ZINC000587052523 EI Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ncc[nH]c-4n3)c(Cl)c2)c1 ZINC000587052565 EI Annotated Anodyne CCc1cc(OCc2nc3cc(C#N)c(C#N)cc3[nH]2)ccc1Cl ZINC000587052657 EI Annotated Mild CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587052659 EI Annotated Anodyne CCc1cc(OCc2nc3cccc(C(=O)OC)c3[nH]2)ccc1Cl ZINC000587052711 EI Annotated Anodyne CCc1cc(OCc2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl ZINC000587052714 EI Annotated Anodyne Oc1nc2cc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3cc2[nH]1 ZINC000587052781 EI Annotated Anodyne CCc1cc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Cl ZINC000587052788 EI Annotated Bother O=C(O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 ZINC000587052798 EI Annotated Anodyne CCc1cc(OCc2nc3cc(OC)cc(OC)c3[nH]2)ccc1Cl ZINC000587052823 EI Annotated Anodyne CCc1cc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000587052833 EI Annotated Bother Cc1c(Cl)ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587052839 EI Annotated Anodyne Cc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Cl ZINC000587052841 EI Annotated Anodyne CCc1cc(OCc2nc3ccc(C(=O)OC)cc3[nH]2)ccc1Cl ZINC000587052876 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587052881 EI Annotated Anodyne CCc1cc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Cl ZINC000587052902 EI Annotated Anodyne CCc1cc(OCc2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1Cl ZINC000587052906 EI Annotated Mild Clc1ccc(-n2cccc2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587052918 EI Annotated Anodyne CCc1cc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Cl ZINC000587052933 EI Annotated Bother Oc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)c1 ZINC000587053266 EI Annotated Anodyne N#Cc1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1C(F)(F)F ZINC000587053307 EI Annotated Mild COC(=O)c1ccnc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc12 ZINC000587053554 EI Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc12 ZINC000587053555 EI Annotated Anodyne Oc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587053556 EI Annotated Anodyne Oc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587053626 EI Annotated Anodyne Oc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)c1 ZINC000587053798 EI Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cn1 ZINC000587053890 EI Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cn1 ZINC000587053892 EI Annotated Anodyne Oc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Cl)c1 ZINC000587054048 EI Annotated Anodyne Oc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)c1 ZINC000587054158 EI Annotated Anodyne Clc1cccc(/C=C\c2nc3c(Cl)ncnc3[nH]2)c1Cl ZINC000587054162 EI Annotated Anodyne Clc1cccc(/C=C/c2nc3c(Cl)ncnc3[nH]2)c1Cl ZINC000587054165 EI Annotated Anodyne Clc1c[nH]c2nc(/C=C\c3cccc(Cl)c3Cl)nc-2n1 ZINC000587054178 EI Annotated Anodyne Clc1c[nH]c2nc(/C=C/c3cccc(Cl)c3Cl)nc-2n1 ZINC000587054180 EI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(O)cc3Cl)nc2c1 ZINC000587054419 EI Annotated Mild Clc1ncc2nc(/C=C\c3cccc(Cl)c3Cl)nc-2[nH]1 ZINC000587054630 EI Annotated Anodyne Clc1ncc2nc(/C=C/c3cccc(Cl)c3Cl)nc-2[nH]1 ZINC000587054631 EI Annotated Anodyne Oc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587055062 EI Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2n1 ZINC000587055071 EI Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2n1 ZINC000587055073 EI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587055090 EI Annotated Bother O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587055092 EI Annotated Bother N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587055349 EI Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587055357 EI Annotated Anodyne N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587055437 EI Annotated Anodyne N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587055438 EI Annotated Anodyne O=[N+]([O-])c1cncc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 ZINC000587056071 EI Annotated Bother O=[N+]([O-])c1cncc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 ZINC000587056073 EI Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(O)cc3Cl)nc2c1 ZINC000587056106 EI Annotated Anodyne Clc1ccccc1CCc1nc2c(Br)ccnc2[nH]1 ZINC000587057516 EI Annotated Anodyne FC(F)(F)c1cc2nc(CCc3ccccc3Cl)[nH]c2cn1 ZINC000587057543 EI Annotated Anodyne N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Cl ZINC000587057623 EI Annotated Anodyne N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Cl ZINC000587057632 EI Annotated Anodyne Fc1cc2[nH]c(CCc3ccccc3Cl)nc2cc1-n1cccn1 ZINC000587057654 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCc3ccccc3Cl)nc2c1 ZINC000587057661 EI Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 ZINC000587057969 EI Annotated Anodyne Cc1nc2[nH]c(-c3ccc(O)cc3Cl)nc2cc1Br ZINC000587058031 EI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Cl ZINC000587058180 EI Annotated Anodyne O[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058382 EI Annotated Anodyne O[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058386 EI Annotated Anodyne N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1Cl ZINC000587058387 EI Annotated Anodyne N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1Cl ZINC000587058405 EI Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587058474 EI Annotated Anodyne N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587058485 EI Annotated Anodyne O[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058491 EI Annotated Anodyne O[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058492 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 ZINC000587058511 EI Annotated Anodyne N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl ZINC000587058611 EI Annotated Anodyne N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl ZINC000587058612 EI Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl ZINC000587058617 EI Annotated Anodyne N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl ZINC000587058618 EI Annotated Anodyne O[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058625 EI Annotated Anodyne O[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058626 EI Annotated Anodyne N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587058631 EI Annotated Anodyne N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587058638 EI Annotated Anodyne COc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Cl ZINC000587058669 EI Annotated Anodyne COc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Cl ZINC000587058671 EI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c32)n1 ZINC000587058686 EI Annotated Anodyne N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058701 EI Annotated Anodyne N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587058702 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587058848 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587059029 EI Annotated Anodyne Clc1ccccc1CCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587059068 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587059115 EI Annotated Anodyne Clc1ccccc1CCc1nc2ccc(Br)nc2[nH]1 ZINC000587059294 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587059325 EI Annotated Anodyne Clc1ccccc1CCc1nc2cncc(Br)c2[nH]1 ZINC000587059356 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587059373 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CCc3ccccc3Cl)nc2c1 ZINC000587059421 EI Annotated Anodyne O[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587059488 EI Annotated Anodyne O[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587059491 EI Annotated Anodyne Clc1ccccc1CCc1nc2cc(Br)ncc2[nH]1 ZINC000587059686 EI Annotated Anodyne Clc1ccccc1CCc1nc2ccnc(Br)c2[nH]1 ZINC000587059725 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587059801 EI Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2n1 ZINC000587059834 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587059841 EI Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587059842 EI Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2n1 ZINC000587059953 EI Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2n1 ZINC000587059954 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c32)n1 ZINC000587059981 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c32)n1 ZINC000587059982 EI Annotated Anodyne O[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587060027 EI Annotated Anodyne O[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587060028 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Cl ZINC000587060444 EI Annotated Bother Cc1cc(C)c2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c1 ZINC000587060828 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587060840 EI Annotated Bother Cc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1C ZINC000587060856 EI Annotated Anodyne OCCc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 ZINC000587060857 EI Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061018 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(CNc3ccccc3Cl)nc2c1F ZINC000587061095 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587061100 EI Annotated Mild CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587061101 EI Annotated Mild CC[C@H](Oc1ccccc1Cl)c1nc2ccc(CCO)cc2[nH]1 ZINC000587061205 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(CCO)cc2[nH]1 ZINC000587061206 EI Annotated Anodyne Cc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1C ZINC000587061264 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CNc3ccccc3Cl)nc2c1 ZINC000587061324 EI Annotated Anodyne Cc1cccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 ZINC000587061625 EI Annotated Anodyne Cc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 ZINC000587061790 EI Annotated Anodyne OCc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 ZINC000587061791 EI Annotated Anodyne Fc1cc2[nH]c(CNc3ccccc3Cl)nc2cc1-n1cccn1 ZINC000587061890 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587061982 EI Annotated Bother CC[C@H](Oc1ccccc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587061983 EI Annotated Bother CC[C@@H](Oc1ccccc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587062015 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587062016 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587062018 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587062020 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587062041 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587062042 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587062047 EI Annotated Anodyne N=c1[nH]ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587062103 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587062207 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587062209 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587062210 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587062233 EI Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587062234 EI Annotated Anodyne FC(F)(F)c1cc2nc(CNc3ccccc3Cl)[nH]c2cn1 ZINC000587062816 EI Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587062908 EI Annotated Bother CC[C@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587062909 EI Annotated Bother Nc1ccnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 ZINC000587063125 EI Annotated Anodyne N=c1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c[nH]1 ZINC000587063415 EI Annotated Anodyne Cc1onc(-c2nc3ncccc3[nH]2)c1COc1ccccc1Cl ZINC000587063420 EI Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncc[nH]c-3n2)cc1 ZINC000587063506 EI Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncncc3[nH]2)cc1 ZINC000587063795 EI Annotated Anodyne Cc1onc(-c2nc3ccncc3[nH]2)c1COc1ccccc1Cl ZINC000587063818 EI Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ccncc3[nH]2)o1 ZINC000587064234 EI Annotated Anodyne COc1cnc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1Cl ZINC000587064239 EI Annotated Anodyne COc1cnc(-c2nc3c(Br)cccc3[nH]2)cc1Cl ZINC000587064248 EI Annotated Anodyne Nc1ccnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 ZINC000587064254 EI Annotated Anodyne COc1cnc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1Cl ZINC000587064432 EI Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1Cl ZINC000587064504 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587064548 EI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000587064596 EI Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3ncccc3Cl)nc2c1 ZINC000587064603 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587064638 EI Annotated Anodyne COc1cnc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1Cl ZINC000587064666 EI Annotated Anodyne Oc1nccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064713 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cc(C)c2[nH]1 ZINC000587064790 EI Annotated Anodyne Clc1cccnc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587064813 EI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(C)ccnc4[nH]3)c2)c(C)c1Cl ZINC000587064891 EI Annotated Anodyne COc1cnc(-c2nc3cc(Br)ccc3[nH]2)cc1Cl ZINC000587064915 EI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(F)cnc4[nH]3)c2)c(C)c1Cl ZINC000587064924 EI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Cl ZINC000587064993 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587065015 EI Annotated Anodyne Fc1c(Br)cc2nc(-c3ncccc3Cl)[nH]c2c1F ZINC000587065037 EI Annotated Anodyne COc1cnc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1Cl ZINC000587065146 EI Annotated Anodyne Clc1cccnc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587065199 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587065206 EI Annotated Anodyne COc1cnc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1Cl ZINC000587065227 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587065242 EI Annotated Anodyne COc1cnc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1Cl ZINC000587065256 EI Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncccc3[nH]2)o1 ZINC000587065366 EI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2)c(C)c1Cl ZINC000587065379 EI Annotated Anodyne CCc1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 ZINC000587065461 EI Annotated Anodyne Cc1cnc2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 ZINC000587065488 EI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1Cl ZINC000587065553 EI Annotated Anodyne Fc1cc2[nH]c(-c3ncccc3Cl)nc2cc1Br ZINC000587065570 EI Annotated Anodyne Fc1ccc2nc(-c3ncccc3Cl)[nH]c2c1Br ZINC000587065575 EI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(C)nccc4[nH]3)c2)c(C)c1Cl ZINC000587065579 EI Annotated Anodyne Cc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2n1 ZINC000587065599 EI Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ncccc3Cl)[nH]c2cn1 ZINC000587065639 EI Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl ZINC000587065654 EI Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1Cl ZINC000587065683 EI Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2)c(C)c1Cl ZINC000587065740 EI Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587065745 EI Annotated Anodyne Fc1c(Br)ccc2nc(-c3ncccc3Cl)[nH]c12 ZINC000587065846 EI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587065859 EI Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587065910 EI Annotated Anodyne COc1nccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc12 ZINC000587065945 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587065980 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)cc3NC)[nH]c2c1 ZINC000587066002 EI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587066022 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587066024 EI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587066075 EI Annotated Mild COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587066234 EI Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587066304 EI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587066315 EI Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587066488 EI Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587066526 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587066697 EI Annotated Mild COc1cncc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc12 ZINC000587066741 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587066759 EI Annotated Mild CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587066761 EI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587066819 EI Annotated Anodyne COc1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2n1 ZINC000587066822 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587066841 EI Annotated Mild COc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cn1 ZINC000587066845 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587066898 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587066907 EI Annotated Mild CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587066958 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2ccc(Br)nc2[nH]1 ZINC000587066965 EI Annotated Mild CNc1cc(Cl)ccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587066984 EI Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587066992 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587067015 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587067040 EI Annotated Anodyne COc1cc(Cl)ccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587067052 EI Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587067084 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587067095 EI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cncc(Br)c2[nH]1 ZINC000587067100 EI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2ccnc(Br)c2[nH]1 ZINC000587067140 EI Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587067177 EI Annotated Anodyne CCOC(=O)c1ccc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587067252 EI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587067264 EI Annotated Mild CNc1cc(Cl)ccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587067265 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(Br)ncc2[nH]1 ZINC000587067287 EI Annotated Mild CNc1cc(Cl)ccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587067321 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587067349 EI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2c(Br)ccnc2[nH]1 ZINC000587067370 EI Annotated Mild CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587067393 EI Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(Br)cnc2[nH]1 ZINC000587067414 EI Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587067425 EI Annotated Mild Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587067482 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(CCO)cc2[nH]1 ZINC000587067496 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587067522 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587067608 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587067644 EI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587067660 EI Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c12 ZINC000587067734 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587067762 EI Annotated Mild OCc1ccc(-c2cc(Cl)cc(-c3nc4cccnc4[nH]3)c2)cc1 ZINC000587067853 EI Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587067980 EI Annotated Bother Clc1cccc(-c2cc(-c3nc4c(Cl)cncc4[nH]3)n[nH]2)c1 ZINC000587067987 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587068007 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587068112 EI Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587068115 EI Annotated Anodyne Fc1cnc(Cl)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c12 ZINC000587068225 EI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4c(Cl)nccc4[nH]3)n[nH]2)c1 ZINC000587068374 EI Annotated Anodyne COc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1F ZINC000587068385 EI Annotated Anodyne Clc1cccc(-c2cc(-c3nc4nccc(Cl)c4[nH]3)n[nH]2)c1 ZINC000587068395 EI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587068600 EI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587068612 EI Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1C#N ZINC000587068631 EI Annotated Mild Cc1cc(Cl)cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068689 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068698 EI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587068721 EI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587068722 EI Annotated Anodyne C=CCc1cccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068772 EI Annotated Mild C=CCc1cccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068773 EI Annotated Mild CC(C)(C)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587068826 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587068876 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587068878 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587068958 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587068962 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587069024 EI Annotated Mild C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587069025 EI Annotated Mild CC(C)(C)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587069179 EI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587069284 EI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587069285 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587069338 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587069339 EI Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(Cl)cc3)[nH]c12 ZINC000587069373 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587069385 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587069386 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2c1 ZINC000587069747 EI Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2c1 ZINC000587069752 EI Annotated Mild O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cccc2[nH]1 ZINC000587069806 EI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587069827 EI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587069830 EI Annotated Anodyne CSc1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587069954 EI Annotated Anodyne CSc1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587069955 EI Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587069976 EI Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587069978 EI Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(Cl)cc3)[nH]c12 ZINC000587069992 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587070023 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587070024 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587070025 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587070026 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587070548 EI Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587070679 EI Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587070680 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc32)n1 ZINC000587070775 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587071047 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587071050 EI Annotated Anodyne Cc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000587071211 EI Annotated Anodyne Cc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000587071213 EI Annotated Anodyne COc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Cl ZINC000587071350 EI Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cncnc4[nH]3)c2)c1 ZINC000587071559 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587071718 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587071905 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587072218 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587072243 EI Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cnncc4[nH]3)c2)c1 ZINC000587072454 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587072473 EI Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4ncc[nH]c-4n3)c2)c1 ZINC000587072620 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587072671 EI Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2n1 ZINC000587072719 EI Annotated Anodyne N#Cc1cc(Cl)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587072725 EI Annotated Mild O=C(Cc1ccc(Cl)cc1)c1nc2cc(Br)ccc2[nH]1 ZINC000587072868 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587072988 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587072989 EI Annotated Anodyne O=C(O)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1F ZINC000587073012 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587073306 EI Annotated Bother COC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587073314 EI Annotated Anodyne Clc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CCC2)cc1 ZINC000587073329 EI Annotated Anodyne OCCc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587073425 EI Annotated Anodyne Cc1cccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587073451 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587073491 EI Annotated Mild COC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587073640 EI Annotated Anodyne Clc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CCC2)cc1 ZINC000587073685 EI Annotated Anodyne O=[N+]([O-])c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587073719 EI Annotated Bother Clc1ccc(CC2(c3nc4cc5c(cc4[nH]3)OCO5)CC2)cc1 ZINC000587073787 EI Annotated Anodyne Clc1ccc(-c2cnccc2-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587073903 EI Annotated Anodyne Clc1ccc(CC2(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)cc1 ZINC000587073981 EI Annotated Anodyne Oc1nc2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc2[nH]1 ZINC000587074020 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587074124 EI Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cnnc(O)c2[nH]1 ZINC000587074162 EI Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587074169 EI Annotated Anodyne Clc1ccc(-c2cnccc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587074232 EI Annotated Anodyne Oc1nc2cc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3cc2[nH]1 ZINC000587074269 EI Annotated Anodyne Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587074311 EI Annotated Anodyne N#Cc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1C#N ZINC000587074402 EI Annotated Mild Sc1nc(S)c2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2n1 ZINC000587074529 EI Annotated Anodyne OCCc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587074568 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587074589 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587074590 EI Annotated Anodyne N#Cc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1C#N ZINC000587074653 EI Annotated Mild O=C(O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587074773 EI Annotated Anodyne Cc1onc(-c2nc3ccncc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587074916 EI Annotated Anodyne C=CCc1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587074925 EI Annotated Mild Clc1ccc(C2=C[C@@H](c3nc4cccc(Cl)c4[nH]3)ON2)cc1 ZINC000587074967 EI Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cccc(Cl)c4[nH]3)ON2)cc1 ZINC000587074969 EI Annotated Anodyne COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C ZINC000587074979 EI Annotated Anodyne COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C ZINC000587074981 EI Annotated Anodyne Cc1onc(-c2nc3ncccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075000 EI Annotated Anodyne Cc1c(-c2nc3cccc(C#N)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075102 EI Annotated Mild Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587075107 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587075132 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587075135 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587075136 EI Annotated Anodyne Fc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F ZINC000587075150 EI Annotated Anodyne Fc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F ZINC000587075152 EI Annotated Anodyne Cc1c(-c2nc3ccnc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075170 EI Annotated Anodyne COc1cccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587075179 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587075194 EI Annotated Anodyne Oc1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075256 EI Annotated Anodyne Oc1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075257 EI Annotated Anodyne N#Cc1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075309 EI Annotated Mild N#Cc1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075312 EI Annotated Mild CSc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587075358 EI Annotated Anodyne Cc1cncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075417 EI Annotated Anodyne Cc1cncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075418 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075442 EI Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(F)cc2[nH]1 ZINC000587075509 EI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)nn2)cc1 ZINC000587075510 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587075516 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587075538 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587075541 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587075548 EI Annotated Anodyne Cc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1C ZINC000587075555 EI Annotated Anodyne Cc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1C ZINC000587075556 EI Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075557 EI Annotated Anodyne CC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075558 EI Annotated Anodyne COc1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c12 ZINC000587075569 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(C#N)c2[nH]1 ZINC000587075583 EI Annotated Mild Cc1c(-c2nc3cncc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075611 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)ccnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075620 EI Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075864 EI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccc(Cl)cc4[nH]3)nn2)cc1 ZINC000587075891 EI Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cccc(Cl)c4[nH]3)nn2)cc1 ZINC000587075943 EI Annotated Anodyne Cc1nccc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 ZINC000587076059 EI Annotated Anodyne Cc1cncc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 ZINC000587076145 EI Annotated Anodyne Cc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F ZINC000587076193 EI Annotated Anodyne Cc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F ZINC000587076194 EI Annotated Anodyne Cc1c(-c2nc3ccc(Cl)nc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076215 EI Annotated Anodyne Cc1c(-c2nc3cc(Cl)ncc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076216 EI Annotated Anodyne Cc1cc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c(C)n1 ZINC000587076252 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587076280 EI Annotated Anodyne Cc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076293 EI Annotated Anodyne COc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 ZINC000587076308 EI Annotated Anodyne Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Cl ZINC000587076310 EI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587076326 EI Annotated Anodyne Cc1nccc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587076502 EI Annotated Anodyne Cc1nccc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587076504 EI Annotated Anodyne Cc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c(C)n1 ZINC000587076561 EI Annotated Anodyne Cc1c(-c2nc3cc(Cl)cnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076568 EI Annotated Anodyne Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2n1 ZINC000587076586 EI Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587076592 EI Annotated Mild Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587076624 EI Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4ccc(Cl)cc4[nH]3)ON2)cc1 ZINC000587076654 EI Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4ccc(Cl)cc4[nH]3)ON2)cc1 ZINC000587076655 EI Annotated Anodyne Cc1c(-c2nc3ccc(C#N)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076698 EI Annotated Mild CCc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076745 EI Annotated Anodyne CCc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076746 EI Annotated Anodyne Fc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2cc1Cl ZINC000587076852 EI Annotated Anodyne Fc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076925 EI Annotated Anodyne Fc1cc(F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587076926 EI Annotated Anodyne Fc1cc(F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587076927 EI Annotated Anodyne Cc1cnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587076968 EI Annotated Anodyne Cc1cnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587076969 EI Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587076970 EI Annotated Anodyne Cc1ccnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587076971 EI Annotated Anodyne Cc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587077217 EI Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cnc5ccccc5c4[nH]3)ON2)cc1 ZINC000587077220 EI Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cnc5ccccc5c4[nH]3)ON2)cc1 ZINC000587077221 EI Annotated Anodyne Cc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C ZINC000587077255 EI Annotated Anodyne Cc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C ZINC000587077256 EI Annotated Anodyne Fc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F ZINC000587077282 EI Annotated Anodyne Fc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F ZINC000587077283 EI Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4ccc5ncccc5c4[nH]3)ON2)cc1 ZINC000587077294 EI Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4ccc5ncccc5c4[nH]3)ON2)cc1 ZINC000587077295 EI Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077308 EI Annotated Anodyne Cc1c(F)ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077309 EI Annotated Anodyne Cc1cnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 ZINC000587077346 EI Annotated Anodyne Cc1ccnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 ZINC000587077453 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077595 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077596 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077725 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077726 EI Annotated Anodyne Cc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587077785 EI Annotated Anodyne Cc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587077786 EI Annotated Anodyne Oc1nccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078437 EI Annotated Clean Cc1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1[N+](=O)[O-] ZINC000587078745 EI Annotated Bother Cc1c(F)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587078779 EI Annotated Anodyne Cc1c(F)ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587078780 EI Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(F)c2[nH]1 ZINC000587078785 EI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(F)c2[nH]1 ZINC000587078786 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Cl)ncc(F)c3[nH]2)n1 ZINC000587078866 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Cl)ncc(F)c3[nH]2)n1 ZINC000587078867 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587078886 EI Annotated Bother CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587078887 EI Annotated Bother CC[C@@H](C)n1cc(Cl)c(-c2nc3c(OC)cc(OC)cc3[nH]2)n1 ZINC000587078906 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(OC)cc(OC)cc3[nH]2)n1 ZINC000587078907 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2c1 ZINC000587078922 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)n3cc(Cl)cn3)nc2c1 ZINC000587078927 EI Annotated Anodyne O=[N+]([O-])c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587078945 EI Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587078971 EI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587078974 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 ZINC000587079055 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 ZINC000587079058 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c12 ZINC000587079064 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c12 ZINC000587079065 EI Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587079126 EI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587079127 EI Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F ZINC000587079177 EI Annotated Anodyne Cc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F ZINC000587079178 EI Annotated Anodyne COC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587079200 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587079228 EI Annotated Bother C[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc(Cl)cn1 ZINC000587079438 EI Annotated Anodyne C[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc(Cl)cn1 ZINC000587079439 EI Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 ZINC000587079573 EI Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 ZINC000587079575 EI Annotated Anodyne COc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1F ZINC000587079595 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587079667 EI Annotated Mild COc1cc(OC)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 ZINC000587079715 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587079862 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c12 ZINC000587079935 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c12 ZINC000587079936 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587079994 EI Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587079995 EI Annotated Mild COc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1OC ZINC000587079996 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 ZINC000587080089 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 ZINC000587080091 EI Annotated Anodyne Cc1cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2cc1Br ZINC000587080117 EI Annotated Anodyne Cc1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2cc1Br ZINC000587080129 EI Annotated Anodyne Cc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1C ZINC000587080142 EI Annotated Anodyne Cc1cc(C)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 ZINC000587080329 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1 ZINC000587080344 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1 ZINC000587080348 EI Annotated Anodyne CCc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587080368 EI Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080457 EI Annotated Anodyne C[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080459 EI Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587080541 EI Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587080543 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 ZINC000587080560 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 ZINC000587080561 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(OC)c(OC)cc3[nH]2)n1 ZINC000587080575 EI Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(OC)c(OC)cc3[nH]2)n1 ZINC000587080576 EI Annotated Anodyne Nc1ccnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 ZINC000587080679 EI Annotated Clean Cc1cc(F)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587080687 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587080688 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1F ZINC000587081067 EI Annotated Bother FC(F)(F)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1 ZINC000587081081 EI Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1 ZINC000587081082 EI Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587081139 EI Annotated Bother CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587081140 EI Annotated Bother FC(F)(F)c1cnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587081189 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587081191 EI Annotated Anodyne COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1C ZINC000587081222 EI Annotated Anodyne O=C(O)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1F ZINC000587081396 EI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12 ZINC000587081456 EI Annotated Anodyne COC(=O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587081475 EI Annotated Anodyne Cc1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1[N+](=O)[O-] ZINC000587081490 EI Annotated Bother Cc1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1[N+](=O)[O-] ZINC000587081493 EI Annotated Bother CC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587081707 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1F ZINC000587081754 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1F ZINC000587081755 EI Annotated Anodyne O=C(CCCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081844 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 ZINC000587081921 EI Annotated Anodyne O=C(CCCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082078 EI Annotated Anodyne C[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(Cl)cn1 ZINC000587082156 EI Annotated Bother C[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(Cl)cn1 ZINC000587082157 EI Annotated Bother Cc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082272 EI Annotated Anodyne O=C(CCCc1nc2cccc(Cl)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082289 EI Annotated Anodyne Cc1cc(F)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 ZINC000587082308 EI Annotated Anodyne Cc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082309 EI Annotated Anodyne Cc1c(F)ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587082342 EI Annotated Anodyne Fc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082607 EI Annotated Anodyne O=C(CCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587082629 EI Annotated Anodyne Cc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1F ZINC000587082638 EI Annotated Anodyne COc1nccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587082677 EI Annotated Anodyne Oc1nccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587082696 EI Annotated Anodyne C[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(Cl)cn1 ZINC000587082803 EI Annotated Bother C[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(Cl)cn1 ZINC000587082804 EI Annotated Bother O=C(CCCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082862 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 ZINC000587082894 EI Annotated Anodyne Fc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082942 EI Annotated Anodyne COc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cn1 ZINC000587083127 EI Annotated Anodyne COc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2n1 ZINC000587083247 EI Annotated Anodyne Nc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1N ZINC000587083332 EI Annotated Anodyne Nc1ccnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 ZINC000587083441 EI Annotated Anodyne COc1cncc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083456 EI Annotated Anodyne COc1cncc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083553 EI Annotated Anodyne COc1nccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083585 EI Annotated Anodyne COc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(Cl)n1 ZINC000587083609 EI Annotated Anodyne Clc1c[nH]c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc-2n1 ZINC000587083707 EI Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(Cl)n1 ZINC000587083764 EI Annotated Anodyne COc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2n1 ZINC000587083815 EI Annotated Anodyne COc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cn1 ZINC000587083817 EI Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cn1 ZINC000587083873 EI Annotated Anodyne Clc1ccc(-c2nc3c(Br)nccc3[nH]2)nc1Cl ZINC000587083903 EI Annotated Anodyne Clc1ccc(-c2nc3ncc(Br)cc3[nH]2)nc1Cl ZINC000587083937 EI Annotated Anodyne Clc1cccc(C2(c3nc4cccc(Br)c4[nH]3)CC2)n1 ZINC000587083965 EI Annotated Anodyne FC(F)(F)c1cnc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 ZINC000587083967 EI Annotated Anodyne COc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)n1 ZINC000587083986 EI Annotated Anodyne Clc1ncc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc-2[nH]1 ZINC000587084004 EI Annotated Anodyne COc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)n1 ZINC000587084056 EI Annotated Anodyne COc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)n1 ZINC000587084071 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1F ZINC000587084102 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587084122 EI Annotated Anodyne COc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Cl ZINC000587084142 EI Annotated Anodyne Clc1ccc(-c2nc3cnc(Br)cc3[nH]2)nc1Cl ZINC000587084181 EI Annotated Anodyne Clc1ccc(-c2nc3nccc(Br)c3[nH]2)nc1Cl ZINC000587084187 EI Annotated Anodyne Clc1cccc(C2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CC2)n1 ZINC000587084197 EI Annotated Anodyne Clc1cccc(C2(c3nc4ccc(Br)cc4[nH]3)CC2)n1 ZINC000587084238 EI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(Cl)n1 ZINC000587084309 EI Annotated Anodyne Clc1nc(-c2nc3ncnc(Cl)c3[nH]2)ccc1-c1ccccc1 ZINC000587084335 EI Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(Cl)n1 ZINC000587084354 EI Annotated Anodyne Clc1cccc(C2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CC2)n1 ZINC000587084367 EI Annotated Anodyne Fc1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1-n1cccn1 ZINC000587084374 EI Annotated Anodyne Clc1cccc(C2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)n1 ZINC000587084380 EI Annotated Anodyne Clc1ccc(-c2nc3nc(Br)ccc3[nH]2)nc1Cl ZINC000587084438 EI Annotated Anodyne Clc1ccc(-c2nc3c(Br)cncc3[nH]2)nc1Cl ZINC000587084472 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1F ZINC000587084656 EI Annotated Bother O=C1CCc2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc2N1 ZINC000587084659 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1F ZINC000587084685 EI Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Cl ZINC000587084702 EI Annotated Bother Clc1nccnc1N1CCC(c2nc3cccc(Cl)c3[nH]2)CC1 ZINC000587084756 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587084759 EI Annotated Mild FC1(F)Oc2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc2O1 ZINC000587084775 EI Annotated Anodyne Cc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1C ZINC000587084790 EI Annotated Anodyne Clc1cccc(C2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CC2)n1 ZINC000587084806 EI Annotated Anodyne O=C1CCc2cc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3cc2N1 ZINC000587084895 EI Annotated Anodyne Oc1nc2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc2[nH]1 ZINC000587084947 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 ZINC000587084956 EI Annotated Mild FC(F)(F)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cn1 ZINC000587084964 EI Annotated Anodyne CC(C)Oc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587084998 EI Annotated Anodyne CC(C)(C)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2n1 ZINC000587085008 EI Annotated Anodyne Cc1cc(C)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085093 EI Annotated Anodyne Clc1cnc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085098 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 ZINC000587085101 EI Annotated Anodyne Clc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)nc1Cl ZINC000587085124 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 ZINC000587085135 EI Annotated Mild FC(F)(F)c1ncc2nc(-c3ccc4cc(Cl)ncc4c3)nc-2[nH]1 ZINC000587085183 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Cl ZINC000587085204 EI Annotated Bother FC(F)(F)c1ncc2nc(-c3cc(Cl)nc4ccccc34)nc-2[nH]1 ZINC000587085211 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 ZINC000587085262 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 ZINC000587085263 EI Annotated Anodyne Clc1cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2cn1 ZINC000587085336 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 ZINC000587085359 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 ZINC000587085385 EI Annotated Anodyne N#Cc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1C#N ZINC000587085424 EI Annotated Mild Clc1ccc(-c2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)nn1 ZINC000587085458 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587085487 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 ZINC000587085522 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 ZINC000587085523 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 ZINC000587085571 EI Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)nn1 ZINC000587085581 EI Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)nn1 ZINC000587085633 EI Annotated Anodyne Clc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c2ccccc2n1 ZINC000587085644 EI Annotated Anodyne Oc1nc2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc2[nH]1 ZINC000587085691 EI Annotated Anodyne FC(F)(F)c1ncc2nc(-c3cc4ccccc4c(Cl)n3)nc-2[nH]1 ZINC000587085702 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 ZINC000587085764 EI Annotated Anodyne O=C1CCc2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc2N1 ZINC000587085770 EI Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 ZINC000587085793 EI Annotated Anodyne Cc1c(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c2c1C ZINC000587085811 EI Annotated Anodyne Clc1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc2ccccc12 ZINC000587085815 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 ZINC000587085819 EI Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Cl ZINC000587085832 EI Annotated Anodyne FC(F)(F)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Cl ZINC000587085857 EI Annotated Anodyne COc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1OC ZINC000587085942 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1F ZINC000587085948 EI Annotated Bother N#Cc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1C#N ZINC000587086110 EI Annotated Mild N#Cc1nc(Cl)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 ZINC000587086126 EI Annotated Mild Clc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 ZINC000587086132 EI Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 ZINC000587086164 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 ZINC000587086172 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 ZINC000587086173 EI Annotated Anodyne COC(=O)c1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 ZINC000587086216 EI Annotated Anodyne Clc1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cn1 ZINC000587086220 EI Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587086424 EI Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587086520 EI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587086521 EI Annotated Reactive Clc1ccc(-c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)nn1 ZINC000587086555 EI Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587086572 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587086576 EI Annotated Reactive Cc1ccc(C)c2[nH]c(C(F)(Br)Br)nc12 ZINC000587086578 EI Annotated Anodyne C=CCc1cccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587086608 EI Annotated Mild COc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Cl ZINC000587086647 EI Annotated Reactive COc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Cl ZINC000587086648 EI Annotated Reactive N#Cc1nc(Cl)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 ZINC000587086657 EI Annotated Mild CC(C)(C)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2n1 ZINC000587086671 EI Annotated Reactive CC(C)(C)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2n1 ZINC000587086674 EI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587086872 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587086873 EI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587086906 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587086907 EI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587086964 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587086965 EI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587087029 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587087030 EI Annotated Reactive COc1cc(OC)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 ZINC000587087226 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(Br)c2[nH]1 ZINC000587087260 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(Br)c2[nH]1 ZINC000587087261 EI Annotated Anodyne Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1C ZINC000587087285 EI Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587087286 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587087287 EI Annotated Reactive FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587087583 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587087585 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587087597 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587087599 EI Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587087612 EI Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587087613 EI Annotated Reactive O=C(O)c1cc(F)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 ZINC000587087718 EI Annotated Anodyne Cc1cc(C)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587087849 EI Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587087875 EI Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587087876 EI Annotated Reactive Cc1ccc2nc(C(F)(Br)Br)[nH]c2c1C ZINC000587087922 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c32)n1 ZINC000587087965 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c32)n1 ZINC000587087968 EI Annotated Anodyne FC(Br)(Br)c1nc2cccc(Cl)c2[nH]1 ZINC000587088065 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1F ZINC000587088080 EI Annotated Bother COc1ccc(-c2nc3cccc(Br)c3[nH]2)c(Cl)n1 ZINC000587088170 EI Annotated Anodyne COC(=O)c1cccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 ZINC000587088255 EI Annotated Anodyne FC(F)(F)c1ncc2nc(-c3c(Cl)[nH]c4ccccc34)nc-2[nH]1 ZINC000587088293 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587088311 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587088312 EI Annotated Anodyne Cc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c(C)n1 ZINC000587088328 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587088407 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587088408 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587088409 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587088410 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587088521 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587088525 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)cc2[nH]1 ZINC000587088599 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)cc2[nH]1 ZINC000587088600 EI Annotated Anodyne FC(Br)(Br)c1nc2ccc(Cl)cc2[nH]1 ZINC000587088614 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587088787 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587088791 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587088878 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587088879 EI Annotated Anodyne Cc1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587088997 EI Annotated Anodyne FC(F)C(F)(F)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587089022 EI Annotated Mild Cc1c(Br)cc2nc(C(F)(F)C(F)F)[nH]c2c1C ZINC000587089045 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587089095 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587089098 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 ZINC000587089134 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587089170 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587089171 EI Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587089191 EI Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587089192 EI Annotated Anodyne FC(F)C(F)(F)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587089251 EI Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 ZINC000587089281 EI Annotated Anodyne Cc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br ZINC000587089310 EI Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2ccc(Br)cc2[nH]1 ZINC000587089337 EI Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2ccc(Br)cc2[nH]1 ZINC000587089338 EI Annotated Anodyne Nc1ccc(Oc2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)cc1 ZINC000587089420 EI Annotated Clean FC(F)(F)Oc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587089586 EI Annotated Mild FC(F)(F)Oc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587089587 EI Annotated Mild FC(F)(c1ccccn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587089601 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl ZINC000587089691 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl ZINC000587089692 EI Annotated Bother Cc1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587089767 EI Annotated Anodyne FC(F)(F)Oc1cccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587089926 EI Annotated Mild FC(F)(F)Oc1cccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587089927 EI Annotated Mild Fc1cc(Br)cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587089957 EI Annotated Anodyne Fc1cc(Br)cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587089962 EI Annotated Anodyne Fc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1Br ZINC000587090052 EI Annotated Anodyne Fc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1Br ZINC000587090053 EI Annotated Anodyne N#Cc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1C(F)(F)F ZINC000587090110 EI Annotated Mild N#Cc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1C(F)(F)F ZINC000587090112 EI Annotated Mild FC(F)(F)[C@@](F)(Cl)c1nc2cccc(Br)c2[nH]1 ZINC000587090316 EI Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2cccc(Br)c2[nH]1 ZINC000587090317 EI Annotated Anodyne Fc1c(Br)ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587090435 EI Annotated Anodyne Fc1c(Br)ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587090436 EI Annotated Anodyne Fc1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1Br ZINC000587090551 EI Annotated Anodyne Fc1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1Br ZINC000587090552 EI Annotated Anodyne FC(F)(c1ccccn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587090640 EI Annotated Bother Fc1cc(Br)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 ZINC000587090789 EI Annotated Anodyne Fc1cc(Br)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 ZINC000587090790 EI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccn1 ZINC000587091027 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 ZINC000587091094 EI Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 ZINC000587091190 EI Annotated Anodyne COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Cl ZINC000587091218 EI Annotated Anodyne Cc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F ZINC000587091315 EI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccc4ncccc4c3[nH]2)ccn1 ZINC000587091344 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 ZINC000587091376 EI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cccc(Cl)c3[nH]2)ccn1 ZINC000587091409 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(Cl)ncc3[nH]2)ccn1 ZINC000587091583 EI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cnc4ccccc4c3[nH]2)ccn1 ZINC000587091657 EI Annotated Anodyne Fc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587091662 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccn1 ZINC000587091669 EI Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccn1 ZINC000587091670 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cncc(Cl)c3[nH]2)ccn1 ZINC000587091726 EI Annotated Anodyne C=CCc1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587091823 EI Annotated Mild CCOc1ccccc1[C@](N)(c1nc2ccc(C)cc2[nH]1)C(F)(F)F ZINC000587091923 EI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(C)cc2[nH]1)C(F)(F)F ZINC000587091924 EI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587092133 EI Annotated Anodyne Fc1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092245 EI Annotated Anodyne N#Cc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587092264 EI Annotated Mild Fc1cc(Cl)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587092272 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccn1 ZINC000587092324 EI Annotated Anodyne CSc1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587092432 EI Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587092493 EI Annotated Anodyne Fc1cc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1Cl ZINC000587092517 EI Annotated Anodyne Fc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c(F)c1F ZINC000587092539 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3ccc(Cl)nc3[nH]2)ccn1 ZINC000587092553 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccn1 ZINC000587092558 EI Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(Cl)cnc3[nH]2)ccn1 ZINC000587092701 EI Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3c2)cc1N ZINC000587092917 EI Annotated Anodyne FC(F)(F)[C@H]1C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587092952 EI Annotated Anodyne COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1C ZINC000587093091 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2n1 ZINC000587093313 EI Annotated Anodyne FC(F)(F)[C@H]1C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587093536 EI Annotated Anodyne FC(F)(F)[C@H]1C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587093558 EI Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cccc(C)c2[nH]1)C(F)(F)F ZINC000587093605 EI Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccc(C)c2[nH]1)C(F)(F)F ZINC000587093606 EI Annotated Anodyne N#Cc1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093678 EI Annotated Mild Cc1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c(C)n1 ZINC000587093700 EI Annotated Anodyne COc1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093725 EI Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 ZINC000587093802 EI Annotated Anodyne FC(F)(F)[C@H]1C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587093933 EI Annotated Mild Fc1c(Br)cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1F ZINC000587093940 EI Annotated Anodyne FC(F)(F)[C@H]1C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587094001 EI Annotated Bother FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000587094516 EI Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cnncc3[nH]2)c(C(F)(F)F)c1 ZINC000587094535 EI Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cncnc3[nH]2)c1 ZINC000587094564 EI Annotated Anodyne N=c1[nH]ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094817 EI Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cncnc3[nH]2)c(C(F)(F)F)c1 ZINC000587094825 EI Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ncc[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587094976 EI Annotated Anodyne Nc1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 ZINC000587095001 EI Annotated Anodyne N=c1[nH]ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587095017 EI Annotated Anodyne Oc1nccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587095100 EI Annotated Anodyne N=c1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c[nH]1 ZINC000587095196 EI Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 ZINC000587095263 EI Annotated Anodyne N=c1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c[nH]1 ZINC000587095291 EI Annotated Anodyne Nc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095356 EI Annotated Anodyne Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1C(F)(F)F ZINC000587095359 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587095362 EI Annotated Bother FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cnncc3[nH]2)c1 ZINC000587095400 EI Annotated Anodyne Oc1nccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587095407 EI Annotated Anodyne Nc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C(F)(F)F)c1 ZINC000587095469 EI Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 ZINC000587095480 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 ZINC000587095489 EI Annotated Mild Cc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1C(F)(F)F ZINC000587095498 EI Annotated Bother Cc1ccc(Cc2nc3cccc(C(=O)O)c3[nH]2)cc1C(F)(F)F ZINC000587095499 EI Annotated Anodyne COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Cl ZINC000587095526 EI Annotated Anodyne Cc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1C(F)(F)F ZINC000587095570 EI Annotated Bother Nc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587095584 EI Annotated Anodyne COc1ccc(-c2nc3ccnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095653 EI Annotated Anodyne COc1ccc(-c2nc3c(Cl)ccnc3[nH]2)c(C(F)(F)F)c1 ZINC000587095667 EI Annotated Anodyne Nc1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(C(F)(F)F)c1 ZINC000587095681 EI Annotated Anodyne Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)cc1C(F)(F)F ZINC000587095692 EI Annotated Anodyne Cc1ccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1C(F)(F)F ZINC000587095724 EI Annotated Anodyne Cc1ccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1C(F)(F)F ZINC000587095725 EI Annotated Anodyne Cc1ccc(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1C(F)(F)F ZINC000587095727 EI Annotated Mild COc1ccc(-c2nc3cncc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095739 EI Annotated Anodyne Cc1ccc(Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1C(F)(F)F ZINC000587095748 EI Annotated Anodyne Nc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095785 EI Annotated Anodyne Cc1ccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1C(F)(F)F ZINC000587095786 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc12 ZINC000587095800 EI Annotated Anodyne Cc1ccc(Cc2nc3ccc(CCO)cc3[nH]2)cc1C(F)(F)F ZINC000587095801 EI Annotated Anodyne COc1ccc(-c2nc3ccc(Cl)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587095804 EI Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CCCNC4)nc13)-c1ccccc1C2=O ZINC000587095831 EI Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4CCCNC4)nc13)-c1ccccc1C2=O ZINC000587095832 EI Annotated Anodyne COC(=O)c1cccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c12 ZINC000587095888 EI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)ncc3[nH]2)c(C(F)(F)F)c1 ZINC000587095912 EI Annotated Anodyne Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095915 EI Annotated Mild Cc1c(-c2ccnn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587095922 EI Annotated Anodyne Cc1ccc2c3c(cc(CCn4cccn4)nc13)-c1ccccc1C2=O ZINC000587095988 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccnn4C)nc13)-c1ccccc1C2=O ZINC000587096033 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cncnc1CC4)-c1ccccc1C2=O ZINC000587096107 EI Annotated Anodyne CC(=O)O[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096164 EI Annotated Anodyne CC(=O)O[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096165 EI Annotated Anodyne COCCc1c(COC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096241 EI Annotated Anodyne Cc1ccc2c3c(cc(Cn4nccc4C)nc13)-c1ccccc1C2=O ZINC000587096245 EI Annotated Anodyne COC(=O)[C@H](C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587096283 EI Annotated Anodyne COC(=O)[C@@H](C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587096286 EI Annotated Anodyne C=CCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096321 EI Annotated Mild Cc1ccc2c3c(cc(Cc4cnn(C)c4)nc13)-c1ccccc1C2=O ZINC000587096335 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cncn1CC4)-c1ccccc1C2=O ZINC000587096350 EI Annotated Anodyne C[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587096409 EI Annotated Anodyne C[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587096411 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cncn4C)nc13)-c1ccccc1C2=O ZINC000587096465 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]4C[N+](=O)[O-])-c1ccccc1C2=O ZINC000587096477 EI Annotated Bother Cc1ccc2c3c(c4c(nc13)CC[C@H]4C[N+](=O)[O-])-c1ccccc1C2=O ZINC000587096479 EI Annotated Bother Cc1ccc2c3c(c4c(nc13)-c1n[nH]cc1CC4)-c1ccccc1C2=O ZINC000587096489 EI Annotated Anodyne CCOC(=O)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587096510 EI Annotated Anodyne COC(=O)CCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096527 EI Annotated Anodyne Cc1c(-c2cncn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096531 EI Annotated Anodyne CCCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096544 EI Annotated Anodyne CCN1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587096768 EI Annotated Anodyne Fc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1C(F)(F)F ZINC000587096899 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccncc4N)nc13)-c1ccccc1C2=O ZINC000587096934 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cn(C)c(C)n4)nc13)-c1ccccc1C2=O ZINC000587096942 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CCCN1CC4)-c1ccccc1C2=O ZINC000587096974 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CCCN1CC4)-c1ccccc1C2=O ZINC000587096975 EI Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1C(F)(F)F ZINC000587096984 EI Annotated Anodyne C[C@H](c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1C(F)(F)F ZINC000587096985 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cccnc4N)nc13)-c1ccccc1C2=O ZINC000587096986 EI Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097037 EI Annotated Bother C[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097039 EI Annotated Bother Cc1ccc2c3c(cc(CC(=O)OC(C)C)nc13)-c1ccccc1C2=O ZINC000587097069 EI Annotated Anodyne Cc1c(-c2cn[nH]c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097077 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CN1CCC4CC1)-c1ccccc1C2=O ZINC000587097078 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CC[C@@H](C4)N1)-c1ccccc1C2=O ZINC000587097092 EI Annotated Anodyne Cc1c[nH]c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 ZINC000587097097 EI Annotated Anodyne COC(=O)[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097130 EI Annotated Anodyne COC(=O)[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097132 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(C)c4)nc13)-c1ccccc1C2=O ZINC000587097137 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C)n(C)n4)nc13)-c1ccccc1C2=O ZINC000587097175 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1F ZINC000587097193 EI Annotated Bother Cc1ccn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 ZINC000587097215 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 ZINC000587097219 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 ZINC000587097220 EI Annotated Anodyne COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 ZINC000587097245 EI Annotated Bother COC(=O)C(C)(C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097261 EI Annotated Anodyne Cc1ccc2c3c(cc(Cc4ncccn4)nc13)-c1ccccc1C2=O ZINC000587097269 EI Annotated Anodyne COC(=O)[C@H]1C=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097292 EI Annotated Anodyne COC(=O)[C@@H]1C=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097295 EI Annotated Anodyne COC(=O)c1cccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 ZINC000587097336 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CC[C@@H](C4)N1C)-c1ccccc1C2=O ZINC000587097387 EI Annotated Anodyne C[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097429 EI Annotated Anodyne C[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097430 EI Annotated Anodyne C[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097431 EI Annotated Anodyne C[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097432 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H]4CCCCN4)nc13)-c1ccccc1C2=O ZINC000587097519 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 ZINC000587097520 EI Annotated Mild Cc1ccc2c3c(cc(C[C@H]4CCCCN4)nc13)-c1ccccc1C2=O ZINC000587097522 EI Annotated Anodyne Cc1n[nH]cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097538 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 ZINC000587097551 EI Annotated Anodyne CC[C@@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097639 EI Annotated Anodyne CC[C@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097642 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccn(C)n4)nc13)-c1ccccc1C2=O ZINC000587097650 EI Annotated Anodyne COc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587097688 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(C)c4C)nc13)-c1ccccc1C2=O ZINC000587097694 EI Annotated Anodyne COC(=O)[C@H](C)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097740 EI Annotated Anodyne COC(=O)[C@@H](C)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097743 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 ZINC000587097753 EI Annotated Bother C[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097777 EI Annotated Bother C[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097780 EI Annotated Bother Cc1ccc2c3c(c4c(nc13)-c1c[nH]nc1CC4)-c1ccccc1C2=O ZINC000587097886 EI Annotated Anodyne CCOC(=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587097890 EI Annotated Anodyne Cc1c(-c2cnn(C)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097913 EI Annotated Anodyne C[C@@H](c1nc2c(Cl)ncnc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098063 EI Annotated Anodyne C[C@H](c1nc2c(Cl)ncnc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098065 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(=N)[nH]c4)nc13)-c1ccccc1C2=O ZINC000587098078 EI Annotated Anodyne Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n(C)n1 ZINC000587098083 EI Annotated Anodyne Cc1nonc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098087 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 ZINC000587098099 EI Annotated Mild O=C1CCc2cc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3cc2N1 ZINC000587098125 EI Annotated Anodyne COC(C)(OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098138 EI Annotated Anodyne C[C@@H](c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587098161 EI Annotated Anodyne C[C@H](c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587098163 EI Annotated Anodyne CCOC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098169 EI Annotated Anodyne Cc1noc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 ZINC000587098183 EI Annotated Anodyne C[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098222 EI Annotated Anodyne C[C@H](c1nc2cccc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098228 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cc[nH]c(=N)c4)nc13)-c1ccccc1C2=O ZINC000587098236 EI Annotated Anodyne COC(=O)[C@H](C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098286 EI Annotated Anodyne COC(=O)[C@@H](C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098289 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4nccn4C)nc13)-c1ccccc1C2=O ZINC000587098302 EI Annotated Anodyne Cc1c(-c2ccn(C)n2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098413 EI Annotated Anodyne CCOC(=O)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587098445 EI Annotated Anodyne Cc1cnn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587098447 EI Annotated Anodyne COC(=O)/C=C(\C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098452 EI Annotated Anodyne Cc1ccc2c3c(cc(Cc4cnccn4)nc13)-c1ccccc1C2=O ZINC000587098472 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 ZINC000587098558 EI Annotated Anodyne COc1ccc(-c2nc3cc(OC)c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587098610 EI Annotated Anodyne C[C@@H](c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587098647 EI Annotated Anodyne C[C@H](c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1C(F)(F)F ZINC000587098648 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]([N+](=O)[O-])CCC4)-c1ccccc1C2=O ZINC000587098654 EI Annotated Bother Cc1ccc2c3c(c4c(nc13)[C@H]([N+](=O)[O-])CCC4)-c1ccccc1C2=O ZINC000587098656 EI Annotated Bother Cc1c(-c2nccn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098680 EI Annotated Anodyne C[C@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098737 EI Annotated Mild C[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098738 EI Annotated Mild C[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098741 EI Annotated Anodyne C[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587098742 EI Annotated Anodyne CCOC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098749 EI Annotated Anodyne CCc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098789 EI Annotated Anodyne Cc1nn(C)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099070 EI Annotated Anodyne C[C@@H](c1nc2ccc(CCO)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587099076 EI Annotated Anodyne C[C@H](c1nc2ccc(CCO)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587099079 EI Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)C4CC4)nc13)-c1ccccc1C2=O ZINC000587099270 EI Annotated Anodyne CCOC(=O)[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099324 EI Annotated Anodyne CCOC(=O)[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099325 EI Annotated Anodyne CC(=O)C(C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099345 EI Annotated Anodyne CO[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587099353 EI Annotated Anodyne CO[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587099354 EI Annotated Anodyne CO[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587099575 EI Annotated Anodyne CO[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 ZINC000587099576 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C(C)(C)C4)-c1ccccc1C2=O ZINC000587099954 EI Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](C)C(=O)O)-c1ccccc1C3=O ZINC000587099964 EI Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](C)C(=O)O)-c1ccccc1C3=O ZINC000587099965 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](C)C(=O)O)nc13)-c1ccccc1C2=O ZINC000587100014 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](C)C(=O)O)nc13)-c1ccccc1C2=O ZINC000587100015 EI Annotated Anodyne Cc1ccc2c3c(cc(CCCC(=O)O)nc13)-c1ccccc1C2=O ZINC000587100017 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CC(=O)[C@@H]4C1)-c1ccccc1C2=O ZINC000587100327 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CC(=O)[C@H]4C1)-c1ccccc1C2=O ZINC000587100328 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)CCC4)-c1ccccc1C2=O ZINC000587100417 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](CC(=O)O)CC4)-c1ccccc1C2=O ZINC000587100505 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)O)CC4)-c1ccccc1C2=O ZINC000587100506 EI Annotated Anodyne CCC1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)COC1 ZINC000587100540 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H]4CCOC4)nc13)-c1ccccc1C2=O ZINC000587100575 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@H]4CCOC4)nc13)-c1ccccc1C2=O ZINC000587100576 EI Annotated Anodyne CC(=O)[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587100592 EI Annotated Anodyne CC(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587100593 EI Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCC(=O)O)-c1ccccc1C3=O ZINC000587100617 EI Annotated Anodyne Cc1c(CCC(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100639 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4C)-c1ccccc1C2=O ZINC000587100644 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4C)-c1ccccc1C2=O ZINC000587100645 EI Annotated Anodyne Cc1ccc2c3c(c(CCC[C@H](C)O)cnc13)-c1ccccc1C2=O ZINC000587100759 EI Annotated Anodyne Cc1ccc2c3c(c(CCC[C@@H](C)O)cnc13)-c1ccccc1C2=O ZINC000587100760 EI Annotated Anodyne Cc1ccc2c3c(c(CCC4OCCO4)cnc13)-c1ccccc1C2=O ZINC000587100931 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]4CC(=O)O)-c1ccccc1C2=O ZINC000587101116 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]4CC(=O)O)-c1ccccc1C2=O ZINC000587101117 EI Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCCC(=O)O)-c1ccccc1C3=O ZINC000587101120 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4csc(=N)[nH]4)nc13)-c1ccccc1C2=O ZINC000587101129 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4C(=O)O)-c1ccccc1C2=O ZINC000587101166 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC[C@H]4C(=O)O)-c1ccccc1C2=O ZINC000587101170 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CC(=O)C[C@H]41)-c1ccccc1C2=O ZINC000587101173 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC(=O)C[C@H]41)-c1ccccc1C2=O ZINC000587101175 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CC(=O)C[C@@H]41)-c1ccccc1C2=O ZINC000587101176 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC(=O)C[C@@H]41)-c1ccccc1C2=O ZINC000587101179 EI Annotated Anodyne Cc1ccc2c3c(c(C[C@@H]4CCCO4)cnc13)-c1ccccc1C2=O ZINC000587101225 EI Annotated Anodyne Cc1ccc2c3c(c(C[C@H]4CCCO4)cnc13)-c1ccccc1C2=O ZINC000587101227 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H]4CCCO4)nc13)-c1ccccc1C2=O ZINC000587101241 EI Annotated Anodyne Cc1ccc2c3c(cc(C[C@H]4CCCO4)nc13)-c1ccccc1C2=O ZINC000587101242 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@@H](O)CC4)-c1ccccc1C2=O ZINC000587101316 EI Annotated Anodyne Cc1ccc2c3c(cc(C4=NCCS4)nc13)-c1ccccc1C2=O ZINC000587101399 EI Annotated Anodyne Cc1ccc2c3c(c(C[C@@H]4CCOC4)cnc13)-c1ccccc1C2=O ZINC000587101486 EI Annotated Anodyne Cc1ccc2c3c(c(C[C@H]4CCOC4)cnc13)-c1ccccc1C2=O ZINC000587101490 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@@H]4C(=O)O)-c1ccccc1C2=O ZINC000587101511 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@H]4C(=O)O)-c1ccccc1C2=O ZINC000587101513 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(C)(C)[C@H](O)C4)-c1ccccc1C2=O ZINC000587101786 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(C)(C)[C@@H](O)C4)-c1ccccc1C2=O ZINC000587101789 EI Annotated Anodyne CC[C@@H]1C(=O)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587101889 EI Annotated Anodyne CC[C@H]1C(=O)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587101890 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](C)C(=O)CC4)-c1ccccc1C2=O ZINC000587101947 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](C)C(=O)CC4)-c1ccccc1C2=O ZINC000587101950 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1(CCOCC1)C4)-c1ccccc1C2=O ZINC000587101990 EI Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(C4CC4)nc13)-c1ccccc1C2=O ZINC000587101997 EI Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)CC(=O)O)nc13)-c1ccccc1C2=O ZINC000587102006 EI Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)CC(=O)O)nc13)-c1ccccc1C2=O ZINC000587102009 EI Annotated Anodyne Cc1ccc2c3c(cc(C4(C)COCOC4)nc13)-c1ccccc1C2=O ZINC000587102019 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4CO)-c1ccccc1C2=O ZINC000587102200 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC[C@H]4CO)-c1ccccc1C2=O ZINC000587102202 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](O)[C@H]4C)-c1ccccc1C2=O ZINC000587102559 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](O)[C@@H]4C)-c1ccccc1C2=O ZINC000587102560 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](O)[C@H]4C)-c1ccccc1C2=O ZINC000587102562 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](O)[C@@H]4C)-c1ccccc1C2=O ZINC000587102564 EI Annotated Anodyne Cc1ccc2c3c(cc(C4=COCCO4)nc13)-c1ccccc1C2=O ZINC000587102579 EI Annotated Anodyne Cc1ccc2c3c(cc(-c4cnns4)nc13)-c1ccccc1C2=O ZINC000587102806 EI Annotated Anodyne O=C1c2ccccc2-c2c(CCBr)cnc3cccc1c23 ZINC000587102814 EI Annotated Reactive CC(C)N(C)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102895 EI Annotated Anodyne Nc1c(O)cccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102910 EI Annotated Anodyne Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1N ZINC000587102994 EI Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN(C)C)-c1ccccc1C3=O ZINC000587103026 EI Annotated Anodyne CCOC(=O)[C@H](F)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103213 EI Annotated Anodyne CCOC(=O)[C@@H](F)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103214 EI Annotated Anodyne CCOC(=O)[C@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587103255 EI Annotated Anodyne CCOC(=O)[C@@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587103256 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(C4)OCOC1)-c1ccccc1C2=O ZINC000587103272 EI Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC1(COC1)C4)-c1ccccc1C2=O ZINC000587103289 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncc(F)cn3)nc3cccc1c23 ZINC000587103318 EI Annotated Anodyne CCO/C=C(\C#N)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103331 EI Annotated Reactive Nc1ccc(O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103337 EI Annotated Anodyne Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O ZINC000587103688 EI Annotated Anodyne Nc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587103762 EI Annotated Anodyne Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1O ZINC000587103769 EI Annotated Anodyne CCc1nccn1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103797 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]([N+](=O)[O-])CCC3 ZINC000587103822 EI Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]([N+](=O)[O-])CCC3 ZINC000587103825 EI Annotated Bother CN1CCC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 ZINC000587103862 EI Annotated Anodyne CN1CCC[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 ZINC000587103864 EI Annotated Anodyne CN(C)CCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104003 EI Annotated Anodyne CC(C)N1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587104155 EI Annotated Anodyne Cc1c([C@H](C)CN(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104158 EI Annotated Anodyne Cc1c([C@@H](C)CN(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104160 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)F)nc3cccc1c23 ZINC000587104200 EI Annotated Anodyne Cc1nn(C)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104219 EI Annotated Anodyne Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C=O ZINC000587104235 EI Annotated Anodyne Cc1c(-c2cnn(C)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104301 EI Annotated Anodyne CN1CCC(c2cnc3cccc4c3c2-c2ccccc2C4=O)CC1 ZINC000587104344 EI Annotated Anodyne CCN(CC)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104357 EI Annotated Anodyne Cc1c(-c2ccn(C)n2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104393 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(=O)C(F)F)CC3 ZINC000587104515 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(=O)C(F)F)CC3 ZINC000587104520 EI Annotated Anodyne CCc1nc2cccc3c2c(c1C[C@@H](C)[N+](=O)[O-])-c1ccccc1C3=O ZINC000587104813 EI Annotated Bother CCc1nc2cccc3c2c(c1C[C@H](C)[N+](=O)[O-])-c1ccccc1C3=O ZINC000587104814 EI Annotated Bother Cc1cc(C)n(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587104827 EI Annotated Anodyne Cn1nccc1/C=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104841 EI Annotated Anodyne Cc1c(-c2c[nH]ccc2=N)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104965 EI Annotated Anodyne Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n(C)n1 ZINC000587105000 EI Annotated Anodyne Cc1c(CC[C@@H](C)[N+](=O)[O-])nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105058 EI Annotated Bother Cc1c(CC[C@H](C)[N+](=O)[O-])nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105059 EI Annotated Bother CCn1nccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105114 EI Annotated Anodyne Cc1ncn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C ZINC000587105133 EI Annotated Anodyne Cc1nn(C)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105149 EI Annotated Anodyne Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 ZINC000587105163 EI Annotated Anodyne Cc1c(-c2nccn2C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105170 EI Annotated Anodyne CCn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000587105175 EI Annotated Anodyne Cc1nn(C)cc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587105193 EI Annotated Anodyne Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nn1C ZINC000587105200 EI Annotated Anodyne CCn1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587105247 EI Annotated Anodyne Cc1nccn1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105249 EI Annotated Anodyne Cc1nc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1C ZINC000587105250 EI Annotated Anodyne Cc1c(-c2cncn2C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105266 EI Annotated Anodyne Cc1c(-c2ccnn2C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105276 EI Annotated Anodyne CN1CCC(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000587105282 EI Annotated Anodyne Cc1c(-c2cnn(C)c2C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105287 EI Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1C ZINC000587105352 EI Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H]3CCCCN3)nc3cccc1c23 ZINC000587105592 EI Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H]3CCCCN3)nc3cccc1c23 ZINC000587105593 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3[nH]nc4ncccc34)nc3cccc1c23 ZINC000587105597 EI Annotated Anodyne CCOC(=O)C(C)(C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105620 EI Annotated Anodyne CCOC(=O)[C@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105622 EI Annotated Anodyne CCOC(=O)[C@@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105623 EI Annotated Anodyne COC(=O)CCCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587105624 EI Annotated Anodyne Cc1c(C2CCNCC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105644 EI Annotated Anodyne CCOC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000587105671 EI Annotated Anodyne CN1[C@H]2CC[C@H]1c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587105754 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN1CCC3CC1 ZINC000587105789 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1F ZINC000587105832 EI Annotated Bother Cc1ncc2c(n1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105850 EI Annotated Anodyne CCc1c([C@@H](C)C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105858 EI Annotated Anodyne CCc1c([C@H](C)C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105862 EI Annotated Anodyne Cc1c([C@H]2CCCNC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105870 EI Annotated Anodyne Cc1c([C@@H]2CCCNC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105872 EI Annotated Anodyne Fc1cnc(Cl)c2[nH]c(Cc3ccccc3C(F)(F)F)nc12 ZINC000587105895 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1cccnc1C3 ZINC000587106012 EI Annotated Anodyne COC(=O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106069 EI Annotated Anodyne COC(=O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106075 EI Annotated Anodyne COC(=O)/C=C(\C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106094 EI Annotated Anodyne COC(=O)c1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000587106131 EI Annotated Anodyne CC[C@@H](C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106133 EI Annotated Anodyne CC(=O)OC1=C(C)c2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587106147 EI Annotated Anodyne COC(=O)[C@H]1C(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106150 EI Annotated Anodyne COC(=O)[C@@H]1C(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106151 EI Annotated Anodyne CC[C@H](C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106173 EI Annotated Anodyne CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106194 EI Annotated Anodyne CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106195 EI Annotated Anodyne CCCCOC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106226 EI Annotated Anodyne Cc1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587106348 EI Annotated Bother COC(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106496 EI Annotated Anodyne COC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587106497 EI Annotated Anodyne CCOC(=O)CCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106558 EI Annotated Anodyne Cc1n[nH]c(C)c1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106589 EI Annotated Anodyne CCc1c(C2CCNCC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106652 EI Annotated Anodyne O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c[nH]1 ZINC000587106959 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)[nH]c1CC3 ZINC000587106968 EI Annotated Anodyne CC(C)(C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107084 EI Annotated Anodyne CCCc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107101 EI Annotated Anodyne CCOC(=O)CCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107107 EI Annotated Anodyne COC(=O)[C@H](C)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107109 EI Annotated Anodyne COC(=O)[C@@H](C)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107110 EI Annotated Anodyne Cc1[nH]nc2c1-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O ZINC000587107132 EI Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 ZINC000587107177 EI Annotated Anodyne O=C(O)c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1F ZINC000587107184 EI Annotated Anodyne CCO/C=C(\C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107219 EI Annotated Mild CCO/C=C(/C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107249 EI Annotated Mild O=C1c2ccccc2-c2cc(C3=CC=CN4C=CN[C@@H]34)nc3cccc1c23 ZINC000587107338 EI Annotated Anodyne O=C1c2ccccc2-c2cc(C3=CC=CN4C=CN[C@H]34)nc3cccc1c23 ZINC000587107339 EI Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cn4cccnc4n3)nc3cccc1c23 ZINC000587107373 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 ZINC000587107381 EI Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107388 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cncnc1CC3 ZINC000587107501 EI Annotated Anodyne CC(C)COC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107631 EI Annotated Anodyne COC(=O)[C@H](C)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587107709 EI Annotated Anodyne COC(=O)[C@@H](C)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587107710 EI Annotated Anodyne CCOC(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107715 EI Annotated Anodyne CCOC(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107716 EI Annotated Anodyne CCO[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107771 EI Annotated Anodyne CCO[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107773 EI Annotated Anodyne C#CCCCO[C@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107812 EI Annotated Mild C#CCCCO[C@@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107813 EI Annotated Mild O=C1c2ccccc2-c2cc(CN3CCCCC3)nc3cccc1c23 ZINC000587107859 EI Annotated Anodyne CCc1nccnc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108073 EI Annotated Anodyne CCOC(=O)Cc1nc2cccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587108123 EI Annotated Anodyne CCCCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108196 EI Annotated Anodyne CCOC(=O)/C=C(\C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108214 EI Annotated Anodyne CC[C@@H](C(=O)OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108217 EI Annotated Anodyne CC[C@H](C(=O)OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108219 EI Annotated Anodyne Cc1n[nH]c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108245 EI Annotated Anodyne CCOC(=O)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O ZINC000587108260 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CCCN1CC3 ZINC000587108298 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CCCN1CC3 ZINC000587108299 EI Annotated Anodyne COC(=O)C[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587108320 EI Annotated Anodyne COC(=O)C[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587108321 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Cl ZINC000587108384 EI Annotated Bother FC(F)(F)c1cccnc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587108407 EI Annotated Anodyne O=C1CCc2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc2N1 ZINC000587108418 EI Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587108587 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 ZINC000587108870 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 ZINC000587108884 EI Annotated Bother FC(F)(F)c1cccnc1-c1nc2cccc(Br)c2[nH]1 ZINC000587109124 EI Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587109177 EI Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587109212 EI Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 ZINC000587109298 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 ZINC000587109306 EI Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(F)cc2[nH]1 ZINC000587109370 EI Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587109412 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 ZINC000587109718 EI Annotated Mild Cc1cc(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 ZINC000587109811 EI Annotated Anodyne Cc1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109823 EI Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587110002 EI Annotated Anodyne Cc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587110067 EI Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(F)c2[nH]1 ZINC000587110103 EI Annotated Bother N#Cc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1C#N ZINC000587110166 EI Annotated Mild O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 ZINC000587110230 EI Annotated Bother COc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1OC ZINC000587110245 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 ZINC000587110316 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 ZINC000587110317 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1F ZINC000587110344 EI Annotated Bother Cn1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111268 EI Annotated Anodyne COc1cncc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587111272 EI Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4nc(Cl)c[nH]c-4n3)cc2c1 ZINC000587111313 EI Annotated Anodyne COc1nccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587111326 EI Annotated Anodyne Cn1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111343 EI Annotated Mild Cn1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111352 EI Annotated Anodyne Cn1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587111371 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587111401 EI Annotated Bother Cn1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587111711 EI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(Cl)c2[nH]1 ZINC000587111720 EI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587111740 EI Annotated Anodyne OCc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 ZINC000587111815 EI Annotated Anodyne Cn1cc(-c2nc3cccc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111856 EI Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cnc(Cl)[nH]c-4n3)cc2c1 ZINC000587111882 EI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587112018 EI Annotated Anodyne Cn1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587112115 EI Annotated Bother Cn1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C(F)(F)F)c1 ZINC000587112276 EI Annotated Anodyne COc1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112301 EI Annotated Anodyne COc1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112303 EI Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4c(Cl)ncnc4[nH]3)cc2c1 ZINC000587112324 EI Annotated Anodyne Cn1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587112395 EI Annotated Anodyne Cc1c(F)ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112461 EI Annotated Anodyne COc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2n1 ZINC000587112596 EI Annotated Anodyne Cn1cc(-c2nc3ccc(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587112626 EI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587112887 EI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587112888 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc12 ZINC000587112901 EI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587112914 EI Annotated Anodyne FC(F)(F)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587113006 EI Annotated Anodyne Cn1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587113212 EI Annotated Anodyne Fc1cnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 ZINC000587113219 EI Annotated Anodyne COc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Cl ZINC000587113233 EI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587113495 EI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587113496 EI Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C ZINC000587113513 EI Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587113515 EI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587113522 EI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587113523 EI Annotated Anodyne FC(F)(F)c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587113602 EI Annotated Anodyne FC(F)(F)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587113672 EI Annotated Anodyne Cn1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113736 EI Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587113967 EI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000587114004 EI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000587114010 EI Annotated Anodyne FC(F)(F)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587114036 EI Annotated Anodyne FC(F)(F)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587114159 EI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587114202 EI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587114203 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587114207 EI Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C ZINC000587114211 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587114305 EI Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587114607 EI Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587114609 EI Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C ZINC000587114615 EI Annotated Anodyne COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587114676 EI Annotated Anodyne COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587114677 EI Annotated Anodyne COc1cncc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114869 EI Annotated Anodyne COc1cncc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114871 EI Annotated Anodyne CCc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114874 EI Annotated Anodyne CC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114882 EI Annotated Anodyne COc1nccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114891 EI Annotated Anodyne COc1nccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114892 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587115060 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587115353 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587115359 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000587115410 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587115424 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587115624 EI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c32)n1 ZINC000587115627 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587115661 EI Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000587115671 EI Annotated Anodyne COc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587115672 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1F ZINC000587115712 EI Annotated Mild O=[N+]([O-])c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587115739 EI Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587115759 EI Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587115817 EI Annotated Anodyne N#Cc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587115850 EI Annotated Mild FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587115950 EI Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587115974 EI Annotated Anodyne Fc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587115977 EI Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587116061 EI Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(Cl)c2[nH]1 ZINC000587116122 EI Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587116124 EI Annotated Anodyne Cc1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c(C)n1 ZINC000587116145 EI Annotated Anodyne COc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116147 EI Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587116177 EI Annotated Anodyne CCc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587116285 EI Annotated Anodyne Cc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1C ZINC000587116357 EI Annotated Anodyne Fc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116490 EI Annotated Anodyne Cc1c(F)ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 ZINC000587116535 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 ZINC000587116549 EI Annotated Anodyne Cc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1F ZINC000587116594 EI Annotated Anodyne CCc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587116725 EI Annotated Anodyne Cc1c(F)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587116844 EI Annotated Anodyne CSc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587116894 EI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587116931 EI Annotated Anodyne C=CCc1cccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 ZINC000587117174 EI Annotated Mild Cc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1F ZINC000587117189 EI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587117504 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 ZINC000587117593 EI Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cc4ccccc4cc3[nH]2)n1 ZINC000587117606 EI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587117849 EI Annotated Anodyne Cc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1C ZINC000587117887 EI Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 ZINC000587117890 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc12 ZINC000587117975 EI Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cccc(C(F)(F)F)c3[nH]2)n1 ZINC000587118321 EI Annotated Anodyne FC(F)(F)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118342 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 ZINC000587118829 EI Annotated Anodyne C=CCc1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587118831 EI Annotated Mild FC(F)(F)c1ccn(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587118834 EI Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1C ZINC000587118843 EI Annotated Anodyne CC(C)(C)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587119010 EI Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587119132 EI Annotated Anodyne Cc1cc(F)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119252 EI Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cccc(Cl)c3[nH]2)n1 ZINC000587119266 EI Annotated Anodyne CC(C)(C)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587119290 EI Annotated Anodyne Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1C ZINC000587119312 EI Annotated Anodyne Cc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1C ZINC000587119407 EI Annotated Anodyne Cc1cc(C)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119708 EI Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000587119772 EI Annotated Anodyne CCc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119840 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 ZINC000587120091 EI Annotated Anodyne Cc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120095 EI Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1C ZINC000587120124 EI Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587120129 EI Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4ccnc(Cl)c4[nH]3)cc2[nH]1 ZINC000587120180 EI Annotated Anodyne Fc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587120192 EI Annotated Mild FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)cnc4[nH]3)cc2[nH]1 ZINC000587120194 EI Annotated Anodyne Cc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587120229 EI Annotated Anodyne Cc1cc(C)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587120307 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120400 EI Annotated Bother Fc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120413 EI Annotated Mild COc1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120499 EI Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4cncc(Cl)c4[nH]3)cc2[nH]1 ZINC000587120500 EI Annotated Anodyne Fc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1F ZINC000587120534 EI Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4c(Cl)ccnc4[nH]3)cc2[nH]1 ZINC000587120587 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 ZINC000587120764 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c(C)n1 ZINC000587120817 EI Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)ncc4[nH]3)cc2[nH]1 ZINC000587120826 EI Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4ccc(Cl)nc4[nH]3)cc2[nH]1 ZINC000587120834 EI Annotated Anodyne Cc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120971 EI Annotated Anodyne Cc1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c(C)n1 ZINC000587121195 EI Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccnc2[nH]1 ZINC000587121377 EI Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cccnc3[nH]2)c1 ZINC000587121737 EI Annotated Anodyne FC(F)(F)OCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587122322 EI Annotated Anodyne FC(F)COc1cccc(-c2nc3cc4ccccc4cc3[nH]2)n1 ZINC000587122522 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587122733 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587122738 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587122739 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587122740 EI Annotated Anodyne Oc1nccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123027 EI Annotated Anodyne Oc1nccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123029 EI Annotated Anodyne Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1Cl ZINC000587123084 EI Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)n1 ZINC000587123115 EI Annotated Anodyne N=c1[nH]ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123348 EI Annotated Anodyne N=c1[nH]ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123351 EI Annotated Anodyne FC(F)COc1cccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)n1 ZINC000587123513 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587123554 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587123558 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587123559 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587123560 EI Annotated Anodyne Nc1ccnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587123594 EI Annotated Anodyne Nc1ccnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587123596 EI Annotated Anodyne Cc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587123996 EI Annotated Anodyne Cc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587123997 EI Annotated Anodyne Cc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587123998 EI Annotated Anodyne Cc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587124000 EI Annotated Anodyne N=c1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c[nH]1 ZINC000587124138 EI Annotated Anodyne N=c1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c[nH]1 ZINC000587124141 EI Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4cccc(OCC(F)F)n4)nc32)n1 ZINC000587124300 EI Annotated Anodyne OC1(c2nc3cnc4ccccc4c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587124496 EI Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cnccc3[nH]2)c1 ZINC000587125025 EI Annotated Anodyne FC(F)(F)OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587125119 EI Annotated Anodyne CC(C)Oc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 ZINC000587125163 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587125185 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587125194 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587125200 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587125202 EI Annotated Anodyne CC(C)Oc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587125255 EI Annotated Anodyne CCc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587125312 EI Annotated Anodyne CCc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587125316 EI Annotated Anodyne CCc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587125318 EI Annotated Anodyne CCc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587125321 EI Annotated Anodyne Cc1c(Cl)ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587125426 EI Annotated Anodyne Cc1ccc2c(ccc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c32)n1 ZINC000587125511 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1C ZINC000587125651 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1C ZINC000587125654 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1C ZINC000587125655 EI Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1C ZINC000587125656 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 ZINC000587125866 EI Annotated Mild OC1(c2nc3cc(Cl)cc(F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125943 EI Annotated Anodyne CSc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587125949 EI Annotated Anodyne FC(F)COc1cccc(-c2nc3c4c(ccc3[nH]2)CCCC4)n1 ZINC000587126084 EI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C ZINC000587126102 EI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C ZINC000587126103 EI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C ZINC000587126104 EI Annotated Anodyne Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C ZINC000587126105 EI Annotated Anodyne FC(F)(F)OCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587126190 EI Annotated Anodyne Fc1c(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1F ZINC000587126396 EI Annotated Anodyne OC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126565 EI Annotated Anodyne OC1(c2nc3ccc4ncccc4c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126699 EI Annotated Anodyne Fc1cc(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587126834 EI Annotated Anodyne COc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587126912 EI Annotated Anodyne Cc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Cl ZINC000587127052 EI Annotated Anodyne Cc1cc(Cl)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587127112 EI Annotated Anodyne OC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCC(C(F)(F)F)CC1 ZINC000587127113 EI Annotated Anodyne CC(C)(C)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2n1 ZINC000587127266 EI Annotated Anodyne COc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Cl ZINC000587127291 EI Annotated Anodyne Cc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c(C)n1 ZINC000587127330 EI Annotated Anodyne Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587127367 EI Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2ncc[nH]c-2n1 ZINC000587127784 EI Annotated Anodyne Nc1ccnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 ZINC000587127879 EI Annotated Anodyne N=c1[nH]ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587127941 EI Annotated Anodyne N=c1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c[nH]1 ZINC000587128097 EI Annotated Anodyne C[C@H](c1nc2cnccc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128409 EI Annotated Anodyne C[C@@H](c1nc2cnccc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128410 EI Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cnncc2[nH]1 ZINC000587128416 EI Annotated Anodyne C[C@H](c1nc2cccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128455 EI Annotated Anodyne C[C@@H](c1nc2cccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128456 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3cncc(C)c3[nH]2)ccc1OC(F)F ZINC000587129018 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3cncc(C)c3[nH]2)ccc1OC(F)F ZINC000587129019 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3c(C)ccnc3[nH]2)ccc1OC(F)F ZINC000587129141 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3c(C)ccnc3[nH]2)ccc1OC(F)F ZINC000587129142 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(F)cnc3[nH]2)ccc1OC(F)F ZINC000587129169 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(F)cnc3[nH]2)ccc1OC(F)F ZINC000587129171 EI Annotated Anodyne Oc1nccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587129365 EI Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cncnc2[nH]1 ZINC000587129485 EI Annotated Anodyne Cn1nnc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C(F)F ZINC000587129637 EI Annotated Anodyne Cc1cc(Cl)cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 ZINC000587130314 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C)cnc3[nH]2)ccc1OC(F)F ZINC000587130331 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C)cnc3[nH]2)ccc1OC(F)F ZINC000587130332 EI Annotated Anodyne Cc1c(Cl)ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 ZINC000587130471 EI Annotated Anodyne Fc1cc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1-n1cccn1 ZINC000587130654 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1F ZINC000587130680 EI Annotated Anodyne FC(F)Oc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587130741 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(O)cc3[nH]2)ccc1OC(F)F ZINC000587130922 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(O)cc3[nH]2)ccc1OC(F)F ZINC000587130924 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3c(C)nccc3[nH]2)ccc1OC(F)F ZINC000587130957 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3c(C)nccc3[nH]2)ccc1OC(F)F ZINC000587130958 EI Annotated Anodyne Cc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Cl ZINC000587130964 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3cnccc3[nH]2)ccc1OC(F)F ZINC000587130980 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3cnccc3[nH]2)ccc1OC(F)F ZINC000587130982 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3cccnc3[nH]2)ccc1OC(F)F ZINC000587131164 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3cccnc3[nH]2)ccc1OC(F)F ZINC000587131165 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C)nc3[nH]2)ccc1OC(F)F ZINC000587131226 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C)nc3[nH]2)ccc1OC(F)F ZINC000587131227 EI Annotated Anodyne O=C(O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131270 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 ZINC000587131326 EI Annotated Bother O=C(O)c1cc(Br)cc2nc(C3(F)CCCCC3)[nH]c12 ZINC000587131346 EI Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(O)c3[nH]2)ccc1OC(F)F ZINC000587131347 EI Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(O)c3[nH]2)ccc1OC(F)F ZINC000587131348 EI Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc5c(cc4[nH]3)OCO5)C2)c1 ZINC000587131414 EI Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C3(F)CCCCC3)[nH]c12 ZINC000587131430 EI Annotated Bother O=C(O)c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1F ZINC000587131491 EI Annotated Anodyne O=C(O)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 ZINC000587131501 EI Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131527 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131528 EI Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C3(F)CCCCC3)[nH]c12 ZINC000587131663 EI Annotated Bother FC1(c2nc3ccc(I)cc3[nH]2)CCCCC1 ZINC000587131772 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1F ZINC000587131799 EI Annotated Bother N#Cc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1C#N ZINC000587131800 EI Annotated Mild Fc1cccc(C2(F)CC(c3nc4cc5c(cc4[nH]3)OCCO5)C2)c1 ZINC000587131801 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 ZINC000587131806 EI Annotated Anodyne O=[N+]([O-])c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131807 EI Annotated Bother CC(C)OC(=O)C1(c2nc3ccc4c(c3[nH]2)CCCC4)CC(F)(F)C1 ZINC000587131898 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 ZINC000587131917 EI Annotated Mild COc1cc(OC)c2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1 ZINC000587131937 EI Annotated Anodyne COc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1OC ZINC000587132002 EI Annotated Anodyne Oc1nc2cc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3cc2[nH]1 ZINC000587132008 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)c(C)c(F)c3)nc2c1 ZINC000587132335 EI Annotated Anodyne Cc1c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F ZINC000587132391 EI Annotated Anodyne Cc1c(F)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587132405 EI Annotated Anodyne O=C(c1nc2nc(Cl)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132426 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3c(Cl)ccnc3[nH]2)c(F)c1F ZINC000587132533 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3c(Cl)ccnc3[nH]2)c(F)c1F ZINC000587132534 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587132613 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587132687 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587132689 EI Annotated Anodyne Cc1nc2[nH]c(-c3cc(F)c(C)c(F)c3)nc2cc1Br ZINC000587132705 EI Annotated Anodyne N#Cc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 ZINC000587132827 EI Annotated Mild O=C(c1nc2c(Cl)nccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132832 EI Annotated Anodyne O=C(c1nc2cnc(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132833 EI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(F)CCCCC3)[nH]c21 ZINC000587132855 EI Annotated Clean COc1c(F)ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1N ZINC000587132865 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587132883 EI Annotated Anodyne Cc1c(F)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1F ZINC000587132962 EI Annotated Mild Cc1c(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F ZINC000587132968 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587132986 EI Annotated Anodyne FC1(c2nc3cccc(I)c3[nH]2)CCCCC1 ZINC000587133128 EI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1N ZINC000587133200 EI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1N ZINC000587133212 EI Annotated Anodyne COc1c(F)ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1N ZINC000587133226 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587133322 EI Annotated Anodyne O=C(c1nc2c(Cl)cncc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133339 EI Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587133479 EI Annotated Anodyne Cc1c(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587133541 EI Annotated Anodyne O=C(c1nc2cc(F)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133559 EI Annotated Anodyne O=C(c1nc2nccc(Cl)c2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133562 EI Annotated Anodyne O=C(c1nc2c(F)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133565 EI Annotated Anodyne Cc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c(C)n1 ZINC000587133629 EI Annotated Anodyne N#Cc1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587133649 EI Annotated Mild COc1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587133652 EI Annotated Anodyne O=C(c1nc2ncc(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133661 EI Annotated Anodyne CC(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 ZINC000587133708 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(Cl)ncc3[nH]2)c(F)c1F ZINC000587133730 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc(Cl)ncc3[nH]2)c(F)c1F ZINC000587133731 EI Annotated Anodyne Fc1c(F)c(-c2nc3c(Cl)ccnc3[nH]2)c(F)c(F)c1S ZINC000587133787 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587133827 EI Annotated Bother Cc1cc(Br)cc2nc(-c3cc(F)cc(F)c3O)[nH]c12 ZINC000587133847 EI Annotated Anodyne Fc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1F ZINC000587133905 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3ccc(Cl)nc3[nH]2)c(F)c1F ZINC000587133955 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3ccc(Cl)nc3[nH]2)c(F)c1F ZINC000587133956 EI Annotated Anodyne Cc1ccnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587133967 EI Annotated Anodyne Cc1ccnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587133968 EI Annotated Anodyne N#Cc1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1C(F)(F)F ZINC000587134000 EI Annotated Mild Oc1c(F)cc(F)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587134029 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cncc(Cl)c3[nH]2)c(F)c1F ZINC000587134108 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cncc(Cl)c3[nH]2)c(F)c1F ZINC000587134109 EI Annotated Anodyne Fc1cc(F)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1 ZINC000587134110 EI Annotated Anodyne Fc1c(F)c(-c2nc3ccc(Cl)nc3[nH]2)c(F)c(F)c1S ZINC000587134117 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc12 ZINC000587134160 EI Annotated Anodyne COc1c(F)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1F ZINC000587134183 EI Annotated Anodyne Nc1c(F)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587134218 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587134320 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587134327 EI Annotated Anodyne COc1c(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587134453 EI Annotated Anodyne COc1c(F)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F ZINC000587134477 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3ccnc(Cl)c3[nH]2)c(F)c1F ZINC000587134492 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3ccnc(Cl)c3[nH]2)c(F)c1F ZINC000587134493 EI Annotated Anodyne COc1c(F)cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1F ZINC000587134555 EI Annotated Anodyne Cc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 ZINC000587134577 EI Annotated Anodyne Cc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 ZINC000587134578 EI Annotated Anodyne N#Cc1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134582 EI Annotated Mild N#Cc1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134583 EI Annotated Mild COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F ZINC000587134604 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(F)cc(F)c3O)nc2c1 ZINC000587134616 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587134653 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587134706 EI Annotated Anodyne Cc1cncc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134739 EI Annotated Anodyne Cc1cncc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134741 EI Annotated Anodyne COc1c(F)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1F ZINC000587134754 EI Annotated Anodyne COc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F ZINC000587134784 EI Annotated Bother COc1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587134795 EI Annotated Anodyne Oc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134813 EI Annotated Anodyne Oc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134814 EI Annotated Anodyne Cc1cc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c(C)n1 ZINC000587134862 EI Annotated Anodyne Cc1cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587134872 EI Annotated Anodyne Cc1cnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587134873 EI Annotated Anodyne N#Cc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134919 EI Annotated Mild N#Cc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134920 EI Annotated Mild Fc1c(F)c(-c2nc3ccnc(Cl)c3[nH]2)c(F)c(F)c1S ZINC000587134922 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587134928 EI Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587134941 EI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 ZINC000587134977 EI Annotated Anodyne Nc1c(F)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F ZINC000587135027 EI Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c12 ZINC000587135055 EI Annotated Anodyne COc1c(F)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1F ZINC000587135073 EI Annotated Anodyne COc1c(F)cc(-c2nc3cccc(Br)c3[nH]2)cc1F ZINC000587135095 EI Annotated Anodyne Fc1c(F)c(-c2nc3cc(Cl)ncc3[nH]2)c(F)c(F)c1S ZINC000587135098 EI Annotated Anodyne COc1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135119 EI Annotated Anodyne COc1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135120 EI Annotated Anodyne Cc1nccc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135182 EI Annotated Anodyne Cc1nccc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135183 EI Annotated Anodyne Fc1c(F)c(-c2nc3cc(Cl)cnc3[nH]2)c(F)c(F)c1S ZINC000587135189 EI Annotated Anodyne Cc1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2cc1Br ZINC000587135245 EI Annotated Anodyne Fc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F ZINC000587135262 EI Annotated Anodyne COc1c(F)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1F ZINC000587135295 EI Annotated Anodyne COc1c(F)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1F ZINC000587135303 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 ZINC000587135319 EI Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c12 ZINC000587135329 EI Annotated Anodyne Oc1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135332 EI Annotated Anodyne Oc1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135334 EI Annotated Anodyne Cc1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c(C)n1 ZINC000587135351 EI Annotated Anodyne Cc1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c(C)n1 ZINC000587135352 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(Cl)cnc3[nH]2)c(F)c1F ZINC000587135363 EI Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cc(Cl)cnc3[nH]2)c(F)c1F ZINC000587135364 EI Annotated Anodyne COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1C ZINC000587135370 EI Annotated Anodyne Fc1c(F)c(-c2nc3cncc(Cl)c3[nH]2)c(F)c(F)c1S ZINC000587135410 EI Annotated Anodyne CNc1c(F)cccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587135455 EI Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587135464 EI Annotated Mild CNc1c(F)cccc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587135489 EI Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587135500 EI Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587135602 EI Annotated Mild CNc1c(F)cccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587135611 EI Annotated Anodyne CNc1c(F)cccc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587135625 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(N)cc1F ZINC000587135644 EI Annotated Bother Cc1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2c(C)n1 ZINC000587135675 EI Annotated Anodyne Fc1cc(F)c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1Br ZINC000587135683 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(Cl)ncc3[nH]2)c(N)cc1F ZINC000587135711 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccnc(Cl)c3[nH]2)c(N)cc1F ZINC000587135759 EI Annotated Anodyne N#Cc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 ZINC000587135791 EI Annotated Mild COc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 ZINC000587135800 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(F)c(F)cc3[nH]2)c(N)cc1F ZINC000587135827 EI Annotated Anodyne Cc1cc2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2c(C)n1 ZINC000587135878 EI Annotated Anodyne COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1C ZINC000587135935 EI Annotated Anodyne Cc1cc(N(C)Cc2nc3c(C)ccc(C)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136027 EI Annotated Bother Cc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1C ZINC000587136044 EI Annotated Bother Nc1c(F)c(F)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F ZINC000587136054 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(N)cc1F ZINC000587136116 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc12 ZINC000587136133 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(Cl)nc3[nH]2)c(N)cc1F ZINC000587136203 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(F)cc(F)c3[nH]2)c(N)cc1F ZINC000587136212 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(F)c(F)c3[nH]2)c(N)cc1F ZINC000587136232 EI Annotated Anodyne COc1cccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 ZINC000587136287 EI Annotated Anodyne Nc1cc(F)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1N ZINC000587136421 EI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F ZINC000587136442 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cncc(Cl)c3[nH]2)c(N)cc1F ZINC000587136533 EI Annotated Anodyne COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1F ZINC000587136563 EI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1F ZINC000587136565 EI Annotated Mild Nc1cc(F)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1N ZINC000587136568 EI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c32)n1 ZINC000587136570 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(Cl)cnc3[nH]2)c(N)cc1F ZINC000587136614 EI Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(F)c(C)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136617 EI Annotated Bother Nc1c(F)c(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F ZINC000587136763 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3c(Cl)ccnc3[nH]2)c(N)cc1F ZINC000587136770 EI Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(N)cc1F ZINC000587136849 EI Annotated Bother Cc1cc(N(C)Cc2nc3ccc(C)c(C)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136891 EI Annotated Bother Cc1cc(N(C)Cc2nc3cc(C)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136974 EI Annotated Bother Cc1cc(N(C)Cc2nc3cccc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137006 EI Annotated Bother Cc1cc(N(C)Cc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137025 EI Annotated Bother Nc1cc(F)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1N ZINC000587137028 EI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1F ZINC000587137062 EI Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1F ZINC000587137119 EI Annotated Mild Fc1cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 ZINC000587137128 EI Annotated Anodyne Cc1cc(F)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 ZINC000587137189 EI Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cncnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587137296 EI Annotated Bother CCc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587137423 EI Annotated Bother Cc1cc(C)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 ZINC000587137430 EI Annotated Bother Cc1cc(Br)c(-c2nc3cc4c(cc3[nH]2)OCO4)cc1F ZINC000587137529 EI Annotated Anodyne Cc1cncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137531 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Cl)ncc3[nH]2)cc1F ZINC000587137548 EI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 ZINC000587137549 EI Annotated Anodyne Fc1cc(F)c(-c2nc3cc(Cl)cnc3[nH]2)cc1Br ZINC000587137560 EI Annotated Anodyne Fc1cc(F)c(-c2nc3cncc(Cl)c3[nH]2)cc1Br ZINC000587137569 EI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 ZINC000587137625 EI Annotated Anodyne Fc1cc(F)c(-c2nc3ccnc(Cl)c3[nH]2)cc1Br ZINC000587137643 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3cccc(C#N)c3[nH]2)cc1F ZINC000587137700 EI Annotated Mild Fc1cc(F)c(-c2nc3cc(Cl)ncc3[nH]2)cc1Br ZINC000587137720 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc(Cl)nc3[nH]2)cc1F ZINC000587137727 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3ccnc(Cl)c3[nH]2)cc1F ZINC000587137762 EI Annotated Anodyne Oc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 ZINC000587137765 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3c(Cl)ccnc3[nH]2)cc1F ZINC000587137771 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3cncc(Cl)c3[nH]2)cc1F ZINC000587137775 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc(C#N)cc3[nH]2)cc1F ZINC000587137791 EI Annotated Mild Fc1cc(F)c(-c2nc3ccc(Cl)nc3[nH]2)cc1Br ZINC000587137792 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1F ZINC000587137814 EI Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Cl)cnc3[nH]2)cc1F ZINC000587137843 EI Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cccnc2[nH]1 ZINC000587137846 EI Annotated Anodyne Oc1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137868 EI Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 ZINC000587137876 EI Annotated Anodyne Fc1cc(F)c(-c2nc3c(Cl)ccnc3[nH]2)cc1Br ZINC000587137897 EI Annotated Anodyne Fc1cc(CCc2nc3cnc4ccccc4c3[nH]2)cc(F)c1F ZINC000587137994 EI Annotated Anodyne Cc1cc2[nH]c(-c3cc(F)c(C)cc3Br)nc2c(C)n1 ZINC000587138140 EI Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cnccc2[nH]1 ZINC000587138165 EI Annotated Anodyne Cc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2n1 ZINC000587138170 EI Annotated Anodyne Fc1cc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc(F)c1F ZINC000587138275 EI Annotated Anodyne Fc1cc(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc(F)c1F ZINC000587138283 EI Annotated Anodyne Fc1cc(CCc2nc3ccc4ncccc4c3[nH]2)cc(F)c1F ZINC000587138299 EI Annotated Anodyne COc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Cl ZINC000587138324 EI Annotated Anodyne Fc1cc(CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(F)c1F ZINC000587138341 EI Annotated Mild Fc1cc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc(F)c1F ZINC000587138504 EI Annotated Anodyne Fc1cc(CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc(F)c1F ZINC000587138613 EI Annotated Anodyne CC(C)(C)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2n1 ZINC000587138621 EI Annotated Anodyne Fc1cc(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc(F)c1F ZINC000587138667 EI Annotated Anodyne Fc1cc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc(F)c1F ZINC000587138786 EI Annotated Anodyne Fc1cc(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc(F)c1F ZINC000587138836 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 ZINC000587138878 EI Annotated Mild COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1F ZINC000587138881 EI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1F ZINC000587138907 EI Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 ZINC000587139025 EI Annotated Bother Cc1cnc(Cl)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 ZINC000587139119 EI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1F ZINC000587139277 EI Annotated Bother COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1C ZINC000587139292 EI Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4c(N)ccnc4[nH]3)ccc2F)cc1 ZINC000587139373 EI Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc[nH]c(=N)c4[nH]3)ccc2F)cc1 ZINC000587139550 EI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1F ZINC000587139624 EI Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc4ncccc4c3[nH]2)c1F ZINC000587139635 EI Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4ccnc(O)c4[nH]3)ccc2F)cc1 ZINC000587139690 EI Annotated Anodyne Nc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1F ZINC000587139801 EI Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(F)c(N)c3)[nH]c2c1C ZINC000587139837 EI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1F ZINC000587139872 EI Annotated Bother Oc1c(Br)ccc2nc(-c3cc(S)ccc3F)[nH]c12 ZINC000587140048 EI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1F ZINC000587140320 EI Annotated Bother Nc1ccc(F)c(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587140588 EI Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(CO)ccc4F)[nH]c3c2)cc1 ZINC000587140592 EI Annotated Clean OCc1ccc(F)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587140852 EI Annotated Anodyne Cc1c(Br)cc2nc(Cc3cc(N)ccc3F)[nH]c2c1C ZINC000587140886 EI Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587140927 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(S)ccc3F)nc12 ZINC000587140950 EI Annotated Anodyne OCc1ccc(F)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587141145 EI Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000587141170 EI Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(CO)ccc3F)[nH]c2c1C ZINC000587141181 EI Annotated Anodyne Cc1nc2[nH]c(-c3cc(S)ccc3F)nc2cc1Br ZINC000587141290 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S)ccc3F)nc2c1 ZINC000587141355 EI Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587141450 EI Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4cc(N)ccc4F)[nH]c3c2)cc1 ZINC000587141615 EI Annotated Clean Fc1ccc(S)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587141810 EI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(S)ccc3F)nc2c1 ZINC000587141914 EI Annotated Mild N#Cc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587142769 EI Annotated Mild N#Cc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587142786 EI Annotated Mild Fc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F ZINC000587143325 EI Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(C#N)c(F)c3)[nH]c12 ZINC000587143623 EI Annotated Mild N#Cc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587143651 EI Annotated Mild N#Cc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1F ZINC000587143695 EI Annotated Mild N#Cc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1F ZINC000587143728 EI Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccnc3[nH]2)c(F)c1 ZINC000587144067 EI Annotated Anodyne Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587144333 EI Annotated Anodyne Cc1cccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587144334 EI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587144462 EI Annotated Mild Cc1cc2nc(-c3ccc(C#N)c(F)c3)[nH]c2cc1Br ZINC000587144502 EI Annotated Mild Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144605 EI Annotated Anodyne Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144608 EI Annotated Anodyne COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cn1 ZINC000587144836 EI Annotated Anodyne Fc1cc(Cc2nc3nc(Cl)c[nH]c-3n2)ccc1-c1ccccc1 ZINC000587144845 EI Annotated Anodyne Nc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1N ZINC000587144888 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(C#N)c(F)c3)nc2c1 ZINC000587144967 EI Annotated Mild Cc1cc(-c2nc3ccncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145069 EI Annotated Anodyne COc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1 ZINC000587145177 EI Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 ZINC000587145335 EI Annotated Bother Cc1cc(Br)cc2nc(-c3ccc(C#N)c(F)c3)[nH]c12 ZINC000587145418 EI Annotated Mild O=[N+]([O-])c1cnc2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 ZINC000587145632 EI Annotated Bother Fc1cc(Br)c2[nH]c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587145661 EI Annotated Anodyne Fc1cc(Cc2nc3c(Cl)ncnc3[nH]2)ccc1-c1ccccc1 ZINC000587145679 EI Annotated Anodyne Fc1cc(Cc2nc3cnc(Cl)[nH]c-3n2)ccc1-c1ccccc1 ZINC000587145709 EI Annotated Anodyne Fc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587145828 EI Annotated Anodyne OCc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 ZINC000587145866 EI Annotated Anodyne OCCc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 ZINC000587145878 EI Annotated Anodyne Fc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587145935 EI Annotated Anodyne Cc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(F)c1 ZINC000587145949 EI Annotated Mild Fc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587145970 EI Annotated Anodyne COc1cncc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 ZINC000587145999 EI Annotated Anodyne COc1nccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 ZINC000587146005 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3cc(Br)cnc3[nH]2)cc1F ZINC000587146200 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3cc(Br)cnc3[nH]2)cc1F ZINC000587146201 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc1F ZINC000587146241 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc1F ZINC000587146242 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(Br)nc3[nH]2)cc1F ZINC000587146268 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(Br)nc3[nH]2)cc1F ZINC000587146269 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1 ZINC000587146484 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1 ZINC000587146485 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F ZINC000587146536 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F ZINC000587146537 EI Annotated Anodyne Cc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 ZINC000587146555 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc1F ZINC000587146772 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc1F ZINC000587146773 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3cncc(Br)c3[nH]2)cc1F ZINC000587146807 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3cncc(Br)c3[nH]2)cc1F ZINC000587146808 EI Annotated Anodyne Cc1ccc(/C=C\c2nc3cc(Br)ncc3[nH]2)cc1F ZINC000587146854 EI Annotated Anodyne Cc1ccc(/C=C/c2nc3cc(Br)ncc3[nH]2)cc1F ZINC000587146855 EI Annotated Anodyne Cc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1 ZINC000587146869 EI Annotated Anodyne Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1F ZINC000587147086 EI Annotated Anodyne Cc1cc(F)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 ZINC000587147255 EI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cc(F)cc2[nH]1 ZINC000587147408 EI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587147433 EI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)ccc2[nH]1 ZINC000587147654 EI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(F)ccc2[nH]1 ZINC000587147933 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1 ZINC000587147947 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(F)cc3F)nc2c1 ZINC000587147948 EI Annotated Anodyne Cc1c(F)ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 ZINC000587148003 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3ccc(Br)nc3[nH]2)c(F)c1 ZINC000587148020 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3ccc(Br)nc3[nH]2)c(F)c1 ZINC000587148021 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(Br)cnc3[nH]2)c(F)c1 ZINC000587148094 EI Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cccc2[nH]1 ZINC000587148098 EI Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(F)c1 ZINC000587148133 EI Annotated Anodyne COc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c(F)c1 ZINC000587148140 EI Annotated Anodyne COc1ccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c(F)c1 ZINC000587148160 EI Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c(F)c1 ZINC000587148161 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(Br)cnc3[nH]2)c(F)c1 ZINC000587148171 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3ccnc(Br)c3[nH]2)c(F)c1 ZINC000587148220 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3ccnc(Br)c3[nH]2)c(F)c1 ZINC000587148222 EI Annotated Anodyne Nc1ccc(-c2ccc3nc(CCc4ccccc4F)[nH]c3c2)cc1N ZINC000587148257 EI Annotated Anodyne Nc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1N ZINC000587148364 EI Annotated Anodyne Nc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1N ZINC000587148365 EI Annotated Anodyne CC(C)(C)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148414 EI Annotated Bother CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148419 EI Annotated Bother COc1ccc(Cc2nc3cccc(Br)c3[nH]2)c(F)c1 ZINC000587148533 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(F)c1 ZINC000587148649 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(F)c1 ZINC000587148651 EI Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCc3ccccc3F)nc2c1 ZINC000587148792 EI Annotated Mild Fc1cc(Br)c2[nH]c(CCc3ccccc3F)nc2c1 ZINC000587148794 EI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587148879 EI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587148883 EI Annotated Anodyne COc1ccc(Cc2nc3cc(C)c(Br)cc3[nH]2)c(F)c1 ZINC000587149071 EI Annotated Anodyne N[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)cc1F ZINC000587149131 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(Br)ncc3[nH]2)c(F)c1 ZINC000587149160 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(Br)ncc3[nH]2)c(F)c1 ZINC000587149161 EI Annotated Anodyne Oc1nccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587149207 EI Annotated Anodyne Oc1nccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587149208 EI Annotated Anodyne COc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cn1 ZINC000587149223 EI Annotated Anodyne COc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cn1 ZINC000587149224 EI Annotated Anodyne COc1nccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587149266 EI Annotated Anodyne COc1nccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587149267 EI Annotated Anodyne Fc1ccccc1CCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587149300 EI Annotated Anodyne N[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)cc1F ZINC000587149313 EI Annotated Anodyne COc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c(F)c1 ZINC000587149319 EI Annotated Anodyne COc1ccc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(F)c1 ZINC000587149415 EI Annotated Mild O=[N+]([O-])c1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1F ZINC000587149455 EI Annotated Bother COc1ccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c(F)c1 ZINC000587149489 EI Annotated Anodyne COc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c(F)c1 ZINC000587149525 EI Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 ZINC000587149533 EI Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 ZINC000587149535 EI Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c(F)c1 ZINC000587149542 EI Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cc(C)c3[nH]2)c(F)c1 ZINC000587149549 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 ZINC000587149647 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 ZINC000587149648 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F ZINC000587149710 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F ZINC000587149711 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F ZINC000587149712 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F ZINC000587149713 EI Annotated Anodyne N#Cc1cc2nc(CCc3ccccc3F)[nH]c2cc1C(F)(F)F ZINC000587149824 EI Annotated Mild COc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(F)c1 ZINC000587149873 EI Annotated Anodyne Cc1cc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2cc1[N+](=O)[O-] ZINC000587149909 EI Annotated Bother Cc1cc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2cc1[N+](=O)[O-] ZINC000587149916 EI Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc4c(c3[nH]2)CCCC4)cc1F ZINC000587149965 EI Annotated Bother COc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(F)c1 ZINC000587149986 EI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587150021 EI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587150023 EI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccnc3[nH]2)cc1F ZINC000587150150 EI Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cccnc3[nH]2)cc1F ZINC000587150151 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3c(Br)ccnc3[nH]2)c(F)c1 ZINC000587150194 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3c(Br)ccnc3[nH]2)c(F)c1 ZINC000587150196 EI Annotated Anodyne Fc1cc2[nH]c(CCc3ccccc3F)nc2cc1Br ZINC000587150445 EI Annotated Anodyne Fc1ccccc1CCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587150483 EI Annotated Anodyne N[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1F ZINC000587150542 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c1 ZINC000587150603 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c1 ZINC000587150604 EI Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587150780 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587150782 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587150784 EI Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587150787 EI Annotated Bother COc1cncc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587150860 EI Annotated Anodyne COc1cncc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587150861 EI Annotated Anodyne OCc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587150879 EI Annotated Anodyne OCc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587150882 EI Annotated Anodyne COc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 ZINC000587150907 EI Annotated Anodyne COc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 ZINC000587150908 EI Annotated Anodyne Fc1cnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587150909 EI Annotated Anodyne Fc1cnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 ZINC000587150910 EI Annotated Anodyne Fc1ccccc1CCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587150974 EI Annotated Anodyne Cc1c(Cl)ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587151128 EI Annotated Bother C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587151166 EI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587151167 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 ZINC000587151179 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 ZINC000587151181 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cncc(Br)c3[nH]2)c(F)c1 ZINC000587151243 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cncc(Br)c3[nH]2)c(F)c1 ZINC000587151245 EI Annotated Anodyne CCc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 ZINC000587151410 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 ZINC000587151449 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 ZINC000587151451 EI Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 ZINC000587151454 EI Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 ZINC000587151458 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587151591 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587151592 EI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587151654 EI Annotated Bother C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587151655 EI Annotated Bother Fc1ccc(O[C@H](c2ccccc2)c2nc3cnccc3[nH]2)cc1F ZINC000587151714 EI Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnccc3[nH]2)cc1F ZINC000587151716 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151791 EI Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151792 EI Annotated Mild N#Cc1nc(Cl)cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151793 EI Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151794 EI Annotated Mild N[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1F ZINC000587151877 EI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587151881 EI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587151882 EI Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587151960 EI Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587151961 EI Annotated Anodyne Cc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Cl ZINC000587151969 EI Annotated Bother Cc1cc(Cl)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587152262 EI Annotated Bother COc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1OC ZINC000587152323 EI Annotated Anodyne COc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1OC ZINC000587152330 EI Annotated Anodyne COc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1OC ZINC000587152331 EI Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1OC ZINC000587152332 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 ZINC000587152777 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 ZINC000587152778 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 ZINC000587152779 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 ZINC000587152780 EI Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] ZINC000587153232 EI Annotated Bother Cc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] ZINC000587153234 EI Annotated Bother Cc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] ZINC000587153235 EI Annotated Bother Cc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] ZINC000587153236 EI Annotated Bother CCOC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153379 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153381 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153382 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153383 EI Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 ZINC000587153610 EI Annotated Bother C[C@@]1(c2nc3cnc4ccccc4c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153869 EI Annotated Anodyne C[C@]1(c2nc3cnc4ccccc4c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153870 EI Annotated Anodyne C[C@@]1(c2nc3cccc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153901 EI Annotated Anodyne C[C@]1(c2nc3cccc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153902 EI Annotated Anodyne C[C@@]1(c2nc3ccc4c(c3[nH]2)CCCC4)C=C(c2ccccc2F)NO1 ZINC000587154035 EI Annotated Anodyne C[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)C=C(c2ccccc2F)NO1 ZINC000587154036 EI Annotated Anodyne C=CCc1cccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587154055 EI Annotated Mild C=CCc1cccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587154056 EI Annotated Mild CC[C@H](Oc1ccccc1F)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587154208 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587154209 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587154244 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587154245 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587154286 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587154287 EI Annotated Anodyne CSc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 ZINC000587154523 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587154568 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587154569 EI Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 ZINC000587154630 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587154664 EI Annotated Bother CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587154667 EI Annotated Bother N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154680 EI Annotated Anodyne N[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154684 EI Annotated Anodyne N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154686 EI Annotated Anodyne N[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154689 EI Annotated Anodyne Fc1cc2[nH]c(-c3ncc(Br)cc3F)nc2cc1Cl ZINC000587154886 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Cl ZINC000587154973 EI Annotated Anodyne CCCc1nc(-c2nc3c(C)cccc3[nH]2)nn1-c1ccccc1F ZINC000587155025 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587155041 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587155042 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587155089 EI Annotated Anodyne N[C@@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155166 EI Annotated Anodyne N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587155169 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587155170 EI Annotated Mild N[C@@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587155171 EI Annotated Anodyne N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155172 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587155176 EI Annotated Mild C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155188 EI Annotated Anodyne C[C@]1(c2nc3ccc(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155189 EI Annotated Anodyne CSc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 ZINC000587155190 EI Annotated Anodyne CSc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 ZINC000587155193 EI Annotated Anodyne CCCc1nc(-c2nc3cc(CC)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155294 EI Annotated Anodyne Fc1ccc(-c2nc3c(Cl)cccc3[nH]2)nc1Br ZINC000587155340 EI Annotated Anodyne COc1cc(-c2nc3cccc(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587155351 EI Annotated Anodyne Fc1ccc(-c2nc3c(ccc4ncccc43)[nH]2)nc1Br ZINC000587155381 EI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587155462 EI Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 ZINC000587155488 EI Annotated Mild Fc1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)nc1Br ZINC000587155520 EI Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2n1 ZINC000587155552 EI Annotated Anodyne Fc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1Cl ZINC000587155554 EI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587155722 EI Annotated Anodyne COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)nn1-c1ccccc1F ZINC000587155767 EI Annotated Anodyne CCc1ccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2c1 ZINC000587155792 EI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587155838 EI Annotated Anodyne CCCc1nc(-c2nc3cc(F)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155853 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587155876 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587155878 EI Annotated Anodyne Fc1ccc(-c2nc3c(cnc4ccccc43)[nH]2)nc1Br ZINC000587155887 EI Annotated Anodyne Fc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)nc1Br ZINC000587155900 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587155915 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587155916 EI Annotated Anodyne C=CCc1cccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c12 ZINC000587155921 EI Annotated Mild COc1cc(-c2nc3cc(C)cc(F)c3[nH]2)nn1-c1ccccc1F ZINC000587155942 EI Annotated Anodyne Cc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Cl ZINC000587156132 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587156241 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587156242 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587156256 EI Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587156257 EI Annotated Anodyne COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)nn1-c1ccccc1F ZINC000587156356 EI Annotated Anodyne N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156427 EI Annotated Anodyne N[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156429 EI Annotated Anodyne N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587156431 EI Annotated Anodyne N[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587156432 EI Annotated Anodyne C[C@@]1(c2nc3ccc4ncccc4c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156493 EI Annotated Anodyne C[C@]1(c2nc3ccc4ncccc4c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156495 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](CC)Oc3ccccc3F)[nH]c2c1 ZINC000587156584 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2c1 ZINC000587156585 EI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156673 EI Annotated Anodyne C[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156674 EI Annotated Anodyne Cc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl ZINC000587156692 EI Annotated Anodyne Cc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl ZINC000587156705 EI Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587156711 EI Annotated Bother CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587156715 EI Annotated Bother COc1cc(-c2nc3ccc(Cl)cc3[nH]2)nn1-c1ccccc1F ZINC000587156838 EI Annotated Anodyne COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156840 EI Annotated Anodyne CCCc1nc(-c2nc3c(F)cccc3[nH]2)nn1-c1ccccc1F ZINC000587156883 EI Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587156897 EI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587156942 EI Annotated Mild C=CCc1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587157148 EI Annotated Mild CCCc1nc(-c2nc3cc(C)ccc3[nH]2)nn1-c1ccccc1F ZINC000587157183 EI Annotated Anodyne COc1cc(-c2nc3ccc(F)c(C)c3[nH]2)nn1-c1ccccc1F ZINC000587157250 EI Annotated Anodyne Cc1cc2[nH]c(-c3ccc(F)cc3C#N)nc2cc1Br ZINC000587157402 EI Annotated Mild Cc1cc(Br)cc2[nH]c(-c3ccc(F)cc3C#N)nc12 ZINC000587157482 EI Annotated Mild Cc1c(Br)ccc2[nH]c(-c3ccc(F)cc3C#N)nc12 ZINC000587157507 EI Annotated Mild Cc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2n1 ZINC000587157517 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2n1 ZINC000587157519 EI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(CO)ccc3[nH]2)cc1 ZINC000587157622 EI Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 ZINC000587157733 EI Annotated Anodyne COc1cncc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 ZINC000587157742 EI Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000587157784 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587157800 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587157802 EI Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(F)cc3C#N)[nH]c2c1 ZINC000587157919 EI Annotated Mild N#Cc1cc(F)ccc1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587158005 EI Annotated Mild N#Cc1cc(F)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587158053 EI Annotated Mild Cc1cncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587158071 EI Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc(F)cc3[nH]2)cc1 ZINC000587158086 EI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 ZINC000587158213 EI Annotated Anodyne CC(C)(C)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587158263 EI Annotated Bother Cc1c(Cl)ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587158286 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587158288 EI Annotated Anodyne N[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158302 EI Annotated Anodyne N[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587158304 EI Annotated Anodyne N[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158306 EI Annotated Anodyne N[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587158308 EI Annotated Anodyne CC(C)(C)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158327 EI Annotated Bother N#Cc1cc(F)ccc1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587158526 EI Annotated Mild N#Cc1cc(F)ccc1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587158531 EI Annotated Mild O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587158823 EI Annotated Bother COc1nccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 ZINC000587158832 EI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158901 EI Annotated Anodyne C[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158902 EI Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587158931 EI Annotated Mild N#Cc1cc(F)ccc1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587158952 EI Annotated Mild COc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2n1 ZINC000587158986 EI Annotated Anodyne COc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cn1 ZINC000587158999 EI Annotated Anodyne Nc1cc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2cc1N ZINC000587159013 EI Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnccc3[nH]2)c1 ZINC000587159392 EI Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3ccccc3cc2[nH]1 ZINC000587159556 EI Annotated Bother Oc1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159661 EI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 ZINC000587159848 EI Annotated Anodyne Oc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 ZINC000587159902 EI Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cccnc3[nH]2)c1 ZINC000587159958 EI Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587160030 EI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587160047 EI Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 ZINC000587160080 EI Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 ZINC000587160110 EI Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000587160115 EI Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cc(N)c(N)cc4[nH]3)c2)c1 ZINC000587160144 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 ZINC000587160301 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 ZINC000587160302 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 ZINC000587160303 EI Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 ZINC000587160304 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587160365 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587160367 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587160369 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587160371 EI Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 ZINC000587160395 EI Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4ccnc(O)c4[nH]3)c2)c1 ZINC000587160405 EI Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587160434 EI Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000587160435 EI Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4c(N)ccnc4[nH]3)c2)c1 ZINC000587160466 EI Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cncc(OC)c4[nH]3)c2)c1 ZINC000587160473 EI Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587160502 EI Annotated Bother Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587160532 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587160533 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587160535 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587160536 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587160579 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587160581 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587160583 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587160585 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000587160685 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587160727 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(F)cc(Br)c3)nc12 ZINC000587160859 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2c1 ZINC000587160898 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2c1 ZINC000587160899 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2c1 ZINC000587160900 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2c1 ZINC000587160901 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587160910 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587160911 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587160912 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587160913 EI Annotated Anodyne COc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1C ZINC000587161041 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc(F)cc(Br)c3)[nH]c12 ZINC000587161075 EI Annotated Bother Cc1c(Br)cnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc12 ZINC000587161093 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc12 ZINC000587161094 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc12 ZINC000587161095 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc12 ZINC000587161096 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587161194 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587161215 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587161218 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587161220 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587161222 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587161255 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000587161259 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587161316 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587161355 EI Annotated Anodyne Fc1cc(Br)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587161376 EI Annotated Anodyne COc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1F ZINC000587161470 EI Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2cc1Br ZINC000587161616 EI Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2cc1Br ZINC000587161617 EI Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2cc1Br ZINC000587161618 EI Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2cc1Br ZINC000587161619 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 ZINC000587161789 EI Annotated Mild Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587161856 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587161857 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587161858 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587161859 EI Annotated Anodyne Cc1c(Cl)ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 ZINC000587161994 EI Annotated Anodyne O=C(CCc1nc2ccc3c(c2[nH]1)CCCC3)Nc1cccc(F)c1 ZINC000587161996 EI Annotated Anodyne N#Cc1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587162038 EI Annotated Mild Cc1cncc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587162051 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587162254 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587162262 EI Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587162424 EI Annotated Anodyne CC(C)Oc1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587162426 EI Annotated Anodyne COc1nccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587162579 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587162590 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587162593 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587162595 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587162598 EI Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1 ZINC000587162611 EI Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1 ZINC000587162614 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1 ZINC000587162617 EI Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1 ZINC000587162620 EI Annotated Anodyne CC(C)Oc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 ZINC000587162672 EI Annotated Anodyne COc1cncc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587162708 EI Annotated Anodyne O=C(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587162716 EI Annotated Anodyne O=C(CCc1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587162722 EI Annotated Anodyne CC(C)(C)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587162745 EI Annotated Anodyne O=C(CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587162747 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587162926 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587162927 EI Annotated Anodyne COc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cn1 ZINC000587163161 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587163317 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587163319 EI Annotated Anodyne Cc1ccnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 ZINC000587163345 EI Annotated Anodyne O=C(CCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1 ZINC000587163373 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587163514 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587163515 EI Annotated Anodyne O=C(CCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)cc1 ZINC000587163580 EI Annotated Anodyne COc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Cl ZINC000587163586 EI Annotated Anodyne O=C(CCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587163648 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587163688 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587163712 EI Annotated Anodyne N=c1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c[nH]1 ZINC000587163793 EI Annotated Anodyne N=c1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c[nH]1 ZINC000587163794 EI Annotated Anodyne Cc1ccc2c(ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c32)n1 ZINC000587163798 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587163920 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587163922 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587163924 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587163925 EI Annotated Anodyne Cc1cc(Cl)cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 ZINC000587163975 EI Annotated Anodyne O=C(CCc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587164029 EI Annotated Anodyne O=C(CCc1nc2cc(Cl)cc(F)c2[nH]1)Nc1cccc(F)c1 ZINC000587164057 EI Annotated Anodyne O=C(CCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587164075 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587164106 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587164108 EI Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(O)c2[nH]1 ZINC000587164233 EI Annotated Anodyne Cc1cnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 ZINC000587164247 EI Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587164264 EI Annotated Anodyne COc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Cl ZINC000587164322 EI Annotated Anodyne COc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Cl ZINC000587164323 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587164380 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587164381 EI Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c32)n1 ZINC000587164384 EI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c32)n1 ZINC000587164385 EI Annotated Anodyne N=c1[nH]ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164424 EI Annotated Anodyne N=c1[nH]ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164425 EI Annotated Anodyne Oc1nccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164447 EI Annotated Anodyne Oc1nccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164448 EI Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587164578 EI Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587164579 EI Annotated Anodyne Nc1ccnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 ZINC000587164718 EI Annotated Anodyne Nc1ccnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 ZINC000587164720 EI Annotated Anodyne CC(C)(C)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2n1 ZINC000587164793 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 ZINC000587164795 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 ZINC000587164796 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1 ZINC000587164823 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cnc5ccccc5c4[nH]3)c2)cc1 ZINC000587164870 EI Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 ZINC000587165153 EI Annotated Bother CSc1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165266 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 ZINC000587165293 EI Annotated Anodyne C=CCc1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 ZINC000587165299 EI Annotated Mild O=[N+]([O-])c1cnc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c1 ZINC000587165351 EI Annotated Bother Fc1ccc(-c2cnn(Cc3nc4ccc(Cl)cc4[nH]3)c2)cc1 ZINC000587165367 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc5ncccc5c4[nH]3)c2)cc1 ZINC000587165468 EI Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cccc(Cl)c4[nH]3)c2)cc1 ZINC000587165548 EI Annotated Anodyne Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(-c2ccc(F)cc2)n1C ZINC000587165674 EI Annotated Anodyne Cc1c(-c2nc3ccc(CO)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165757 EI Annotated Anodyne COc1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2n1 ZINC000587165758 EI Annotated Anodyne Cc1c(-c2nc3cnc(Cl)[nH]c-3n2)cc(-c2ccc(F)cc2)n1C ZINC000587165806 EI Annotated Anodyne COc1cncc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 ZINC000587165972 EI Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cnccc5[nH]4)csc3n2)cc1 ZINC000587166049 EI Annotated Anodyne COc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cn1 ZINC000587166075 EI Annotated Anodyne Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166134 EI Annotated Anodyne Cc1c(-c2nc3c(Cl)ncnc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166231 EI Annotated Anodyne O=C(/C=C\c1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccc(F)cc1 ZINC000587166437 EI Annotated Anodyne O=C(/C=C/c1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccc(F)cc1 ZINC000587166439 EI Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cccnc5[nH]4)csc3n2)cc1 ZINC000587166463 EI Annotated Anodyne Cc1c(-c2nc3ccc(CCO)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166628 EI Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc(-c2ccc(F)cc2)n1C ZINC000587166631 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 ZINC000587167720 EI Annotated Anodyne CCc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587167815 EI Annotated Anodyne Fc1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587167908 EI Annotated Bother Fc1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587167973 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587168049 EI Annotated Bother C[C@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587168261 EI Annotated Bother Cc1cc(Br)cc2nc(COc3ccc(F)cc3)[nH]c12 ZINC000587168267 EI Annotated Anodyne Fc1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587168268 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1 ZINC000587168305 EI Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1 ZINC000587168306 EI Annotated Anodyne Fc1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587168310 EI Annotated Anodyne Cc1cc2nc(COc3ccc(F)cc3)[nH]c2cc1Br ZINC000587168341 EI Annotated Anodyne Cc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168363 EI Annotated Anodyne Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1C ZINC000587168401 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587168555 EI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587168556 EI Annotated Anodyne Fc1ccc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587168591 EI Annotated Anodyne Fc1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587168600 EI Annotated Anodyne Fc1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587168782 EI Annotated Anodyne Fc1ccc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587168788 EI Annotated Anodyne Fc1ccc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587168805 EI Annotated Anodyne Fc1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587168944 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587168952 EI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587168953 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587169004 EI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587169005 EI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587169152 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587169153 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2c1 ZINC000587169170 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2c1 ZINC000587169171 EI Annotated Anodyne Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587169199 EI Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587169201 EI Annotated Anodyne Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1C ZINC000587169224 EI Annotated Anodyne Nc1ccc(-c2ccc3nc(COc4ccc(F)cc4)[nH]c3c2)cc1N ZINC000587169491 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(COc3ccc(F)cc3)nc2c1 ZINC000587169500 EI Annotated Anodyne Cc1c(Br)ccc2nc(COc3ccc(F)cc3)[nH]c12 ZINC000587169533 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587169584 EI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587169585 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587170123 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587170124 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587170125 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587170126 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587170129 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587170130 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587170175 EI Annotated Mild C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587170176 EI Annotated Mild C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587170554 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587170555 EI Annotated Anodyne Cc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Cl ZINC000587170657 EI Annotated Anodyne CC(C)(C)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171023 EI Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc5c(c4[nH]3)CCCC5)c1)OCOC2 ZINC000587171212 EI Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171291 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587171327 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587171328 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587171329 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587171330 EI Annotated Anodyne Cc1c(Cl)ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171517 EI Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c12 ZINC000587171521 EI Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c12 ZINC000587171523 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587171587 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587171588 EI Annotated Anodyne Cc1cc(Cl)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171596 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587171773 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587171776 EI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 ZINC000587171857 EI Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 ZINC000587171859 EI Annotated Anodyne Fc1cc2c(c(Cc3nc4cc5ccccc5cc4[nH]3)c1)OCOC2 ZINC000587171870 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587172168 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587172169 EI Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c32)n1 ZINC000587172176 EI Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587172213 EI Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587172214 EI Annotated Anodyne Cc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Cl ZINC000587172833 EI Annotated Anodyne Cc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Cl ZINC000587172834 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587172851 EI Annotated Anodyne Cc1cc(Cl)cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587172852 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587173120 EI Annotated Anodyne Cc1c(Cl)ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587173121 EI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)O2 ZINC000587173243 EI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)O2 ZINC000587173244 EI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)cc3[nH]1)O2 ZINC000587173323 EI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)cc3[nH]1)O2 ZINC000587173325 EI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173379 EI Annotated Anodyne C[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173381 EI Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 ZINC000587173532 EI Annotated Mild Cc1cc(Br)cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587173578 EI Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587173579 EI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cccc(Br)c3[nH]1)O2 ZINC000587173606 EI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cccc(Br)c3[nH]1)O2 ZINC000587173663 EI Annotated Anodyne C=CCc1cccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587173706 EI Annotated Mild C=CCc1cccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587173707 EI Annotated Mild Fc1ccc2c(-c3nc4ccnc(Br)c4[nH]3)coc2c1 ZINC000587173774 EI Annotated Anodyne Fc1ccc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)coc2c1 ZINC000587173799 EI Annotated Anodyne CSc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173804 EI Annotated Anodyne CSc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173805 EI Annotated Anodyne Fc1ccc2c(-c3nc4c(Br)ccnc4[nH]3)coc2c1 ZINC000587173819 EI Annotated Anodyne Fc1ccc2c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)coc2c1 ZINC000587173842 EI Annotated Anodyne N#Cc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1C(F)(F)F ZINC000587173926 EI Annotated Mild N#Cc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1C(F)(F)F ZINC000587173927 EI Annotated Mild Fc1ccc2[nH]c(-c3nc4cc5c(cc4[nH]3)OCCO5)c(Cl)c2c1 ZINC000587174015 EI Annotated Anodyne OCCc1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 ZINC000587174055 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587174097 EI Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587174098 EI Annotated Anodyne Fc1ccc2c(-c3nc4ccc(Br)nc4[nH]3)coc2c1 ZINC000587174182 EI Annotated Anodyne Fc1ccc2c(-c3nc4cc(Br)ncc4[nH]3)coc2c1 ZINC000587174201 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 ZINC000587174363 EI Annotated Anodyne C[C@@]1(c2nc3cc(Cl)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174519 EI Annotated Anodyne C[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174520 EI Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)O2 ZINC000587174727 EI Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)O2 ZINC000587174729 EI Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc5cn[nH]c5cc4[nH]3)c(Cl)c2c1 ZINC000587174828 EI Annotated Anodyne N#Cc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1C#N ZINC000587174850 EI Annotated Mild N[C@@H](N=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 ZINC000587174904 EI Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 ZINC000587174907 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 ZINC000587174919 EI Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 ZINC000587174931 EI Annotated Bother Cc1cc(Br)c2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2c1 ZINC000587174994 EI Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2c1 ZINC000587174996 EI Annotated Anodyne Oc1nc2cc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3cc2[nH]1 ZINC000587175108 EI Annotated Anodyne Fc1ccc2c(-c3nc4cc(Br)cnc4[nH]3)coc2c1 ZINC000587175177 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587175324 EI Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4c(F)cncc4Cl)[nH]c32)n1 ZINC000587175328 EI Annotated Anodyne Cc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br ZINC000587175345 EI Annotated Anodyne Cc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br ZINC000587175346 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587175351 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587175443 EI Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 ZINC000587175456 EI Annotated Anodyne Fc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1C(F)(F)F ZINC000587175478 EI Annotated Anodyne Fc1ccc2c(-c3nc4cncc(Br)c4[nH]3)coc2c1 ZINC000587175532 EI Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc5c(cc4[nH]3)OCO5)c(Cl)c2c1 ZINC000587175627 EI Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 ZINC000587175642 EI Annotated Bother COc1ncc(F)cc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587175733 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 ZINC000587175745 EI Annotated Anodyne COc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Cl ZINC000587175754 EI Annotated Anodyne Fc1cccc2c(-c3nc4c(OC(F)(F)F)cccc4[nH]3)n[nH]c12 ZINC000587175768 EI Annotated Anodyne N#Cc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1C(F)(F)F ZINC000587175780 EI Annotated Mild Fc1cncc(Cl)c1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587175827 EI Annotated Anodyne Fc1cc(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587175854 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587175858 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587175896 EI Annotated Anodyne Nc1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cnc2c(F)cccc12 ZINC000587175915 EI Annotated Anodyne Nc1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cnc2c(F)cccc12 ZINC000587175969 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cccc(Br)c2[nH]1 ZINC000587176060 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccc(Br)cc2[nH]1 ZINC000587176086 EI Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587176091 EI Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587176094 EI Annotated Anodyne Cc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br ZINC000587176215 EI Annotated Anodyne Fc1cc(Br)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 ZINC000587176220 EI Annotated Anodyne Fc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1C(F)(F)F ZINC000587176221 EI Annotated Anodyne Nc1c(-c2nc3cc(Cl)c(F)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176289 EI Annotated Anodyne Fc1cccc2c(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)n[nH]c12 ZINC000587176291 EI Annotated Anodyne COc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Cl ZINC000587176293 EI Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587176351 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587176416 EI Annotated Anodyne Nc1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cnc2c(F)cccc12 ZINC000587176509 EI Annotated Anodyne Fc1cc(C(F)(F)F)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 ZINC000587176513 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587176610 EI Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587176635 EI Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587176723 EI Annotated Anodyne Nc1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cnc2c(F)cccc12 ZINC000587176761 EI Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587176786 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2n1 ZINC000587176822 EI Annotated Anodyne Cc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Cl ZINC000587176835 EI Annotated Anodyne Fc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1Br ZINC000587176901 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cnc4c(F)cccc4c3N)nc2c1 ZINC000587176906 EI Annotated Mild Cc1cc(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587176934 EI Annotated Anodyne CC(C)Oc1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 ZINC000587176944 EI Annotated Anodyne Fc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1Br ZINC000587177006 EI Annotated Anodyne Cc1cc(Br)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 ZINC000587177024 EI Annotated Anodyne Fc1cncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587177125 EI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177152 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 ZINC000587177172 EI Annotated Anodyne Fc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177181 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177192 EI Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c32)n1 ZINC000587177223 EI Annotated Anodyne Fc1cncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587177268 EI Annotated Anodyne N#Cc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1C(F)(F)F ZINC000587177408 EI Annotated Mild Fc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177500 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2n1 ZINC000587177501 EI Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 ZINC000587177522 EI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cccc(Br)c2[nH]1 ZINC000587177529 EI Annotated Anodyne Fc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1Br ZINC000587177558 EI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587177579 EI Annotated Anodyne Fc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc(N2CCCC2)n1 ZINC000587177605 EI Annotated Anodyne COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Cl ZINC000587177610 EI Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(Cl)nc3F)[nH]c12 ZINC000587177660 EI Annotated Anodyne Fc1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1Br ZINC000587177662 EI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587177671 EI Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587177675 EI Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 ZINC000587177707 EI Annotated Anodyne Cc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Cl ZINC000587177739 EI Annotated Anodyne Cc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Br ZINC000587177747 EI Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2n1 ZINC000587177803 EI Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587177912 EI Annotated Unstable Cc1ccc(C)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 ZINC000587177964 EI Annotated Unstable Fc1cc2[nH]c(-c3cc(Br)cnc3F)nc2cc1Cl ZINC000587177985 EI Annotated Anodyne Fc1ncc(Br)cc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587178027 EI Annotated Anodyne C=CCc1cccc2nc(-c3cc(Br)cnc3F)[nH]c12 ZINC000587178049 EI Annotated Mild Cc1cc(Cl)cc2nc(-c3cc(Br)cnc3F)[nH]c12 ZINC000587178094 EI Annotated Anodyne Cc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Cl ZINC000587178101 EI Annotated Anodyne Fc1ncc(Br)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587178181 EI Annotated Anodyne Ic1cccc(/C=C/c2nc3ccccc3[nH]2)c1 ZINC000587185115 EI Annotated Anodyne Ic1cccc(/C=C\c2nc3ccccc3[nH]2)c1 ZINC000587185116 EI Annotated Anodyne N#C/C(=C\c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587186925 EI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587186926 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587186981 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587186984 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3c(Br)cncc3[nH]2)cc1 ZINC000587187009 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3c(Br)cncc3[nH]2)cc1 ZINC000587187011 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587187098 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587187099 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587187115 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587187116 EI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587187158 EI Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587187173 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587187177 EI Annotated Mild N#C/C(=C/c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587187276 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587187315 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587187316 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587187384 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587187385 EI Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587187473 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587187475 EI Annotated Mild Cc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1C#N ZINC000587187545 EI Annotated Mild Cc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1C#N ZINC000587187567 EI Annotated Mild Cc1c(Br)cc2nc(-c3ccc(O)c(C#N)c3)[nH]c2c1C ZINC000587187568 EI Annotated Mild N#Cc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1O ZINC000587187629 EI Annotated Mild Cc1c(Br)cc2nc(-c3cc(O)cc(C#N)c3)[nH]c2c1C ZINC000587187655 EI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587187722 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587187724 EI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587187742 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587187743 EI Annotated Mild Cc1nc2[nH]c(-c3cccc([C@H](C)C#N)c3)nc2cc1Br ZINC000587187758 EI Annotated Mild Cc1nc2[nH]c(-c3cccc([C@@H](C)C#N)c3)nc2cc1Br ZINC000587187760 EI Annotated Mild Cc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1C#N ZINC000587187772 EI Annotated Mild Cc1nc2[nH]c(/C(C#N)=C\c3ccccc3)nc2cc1Br ZINC000587187873 EI Annotated Reactive Cc1nc2[nH]c(/C(C#N)=C/c3ccccc3)nc2cc1Br ZINC000587187874 EI Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587187931 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587187932 EI Annotated Mild N#Cc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1O ZINC000587187947 EI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587188026 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587188027 EI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587188028 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587188029 EI Annotated Mild N#Cc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1O ZINC000587188042 EI Annotated Mild Cc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1C#N ZINC000587188053 EI Annotated Mild Cc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1C#N ZINC000587188113 EI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587188290 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587188292 EI Annotated Mild Cc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1C#N ZINC000587188302 EI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 ZINC000587188418 EI Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 ZINC000587188419 EI Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587188460 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587188461 EI Annotated Mild Cc1c(Br)cnc2[nH]c(/C(C#N)=C\c3ccccc3)nc12 ZINC000587188651 EI Annotated Reactive Cc1c(Br)cnc2[nH]c(/C(C#N)=C/c3ccccc3)nc12 ZINC000587188657 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587188684 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587188687 EI Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587188778 EI Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587188781 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587188818 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587188820 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587188822 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587188823 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587188827 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587188828 EI Annotated Reactive CCOC(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 ZINC000587188829 EI Annotated Reactive CCOC(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 ZINC000587188830 EI Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587188849 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587188870 EI Annotated Reactive Cc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1C#N ZINC000587188872 EI Annotated Mild Cc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1C#N ZINC000587188899 EI Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587188905 EI Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587188907 EI Annotated Reactive Cc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1C#N ZINC000587188941 EI Annotated Mild Cc1cc(Br)c2[nH]c(-c3ccc(C)c(C#N)c3)nc2c1 ZINC000587188979 EI Annotated Mild CCOC(=O)Cc1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 ZINC000587189031 EI Annotated Reactive CCOC(=O)Cc1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 ZINC000587189033 EI Annotated Reactive Cc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1C#N ZINC000587189114 EI Annotated Mild C[C@H](C#N)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587189127 EI Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587189128 EI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3cccc([C@@H](C)C#N)c3)nc2c1 ZINC000587189198 EI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3cccc([C@H](C)C#N)c3)nc2c1 ZINC000587189199 EI Annotated Mild Cc1cc(Br)cc2nc(COc3ccc(C#N)cc3)[nH]c12 ZINC000587189289 EI Annotated Mild Fc1cc(Br)c2nc(C=NOCc3ccccc3)[nH]c2c1 ZINC000587189347 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587189430 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587189432 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587189505 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587189506 EI Annotated Mild Fc1cc(Br)cc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587189621 EI Annotated Mild Cc1cc(Br)c2[nH]c(COc3ccc(C#N)cc3)nc2c1 ZINC000587189638 EI Annotated Mild FC(F)(F)Oc1cccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587189681 EI Annotated Mild Fc1cc(C(F)(F)F)c2nc(C=NOCc3ccccc3)[nH]c2c1 ZINC000587189711 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587189904 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587189909 EI Annotated Mild Cc1cc(Br)cc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587189948 EI Annotated Mild FC(F)(F)Oc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587189993 EI Annotated Mild O=NCc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 ZINC000587190088 EI Annotated Anodyne O=NCc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 ZINC000587190091 EI Annotated Anodyne N#Cc1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587190163 EI Annotated Mild N#Cc1cc2[nH]c(C=NOCc3ccccc3)nc2cc1C(F)(F)F ZINC000587190248 EI Annotated Mild Cc1cc2[nH]c(C=NOCc3ccccc3)nc2cc1Br ZINC000587190301 EI Annotated Mild Cc1cc2nc(COc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587190332 EI Annotated Mild O=NCc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 ZINC000587190357 EI Annotated Anodyne Fc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1Br ZINC000587190394 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587190410 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587190412 EI Annotated Mild Fc1cc2nc(C=NOCc3ccccc3)[nH]c2cc1Br ZINC000587190595 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587190596 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587190598 EI Annotated Mild N#Cc1cc(Br)c2nc(-c3ccc(CN=O)cc3)[nH]c2c1 ZINC000587190912 EI Annotated Mild Cc1cc(Br)c2nc(C=NOCc3ccccc3)[nH]c2c1 ZINC000587190917 EI Annotated Mild Cc1ccc2c(ccc3nc([C@@H](C)Oc4ccc(C#N)cc4)[nH]c32)n1 ZINC000587191033 EI Annotated Mild Cc1ccc2c(ccc3nc([C@H](C)Oc4ccc(C#N)cc4)[nH]c32)n1 ZINC000587191034 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587191040 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587191042 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587191101 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587191103 EI Annotated Mild Cc1c(Br)ccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587191213 EI Annotated Mild C=C(CN(C)C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587191232 EI Annotated Mild Fc1cc2nc(C=NOCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587191246 EI Annotated Mild O=NCc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 ZINC000587191302 EI Annotated Anodyne Fc1c(Br)ccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587191347 EI Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587191416 EI Annotated Mild N#Cc1cc(O)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587191468 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587191517 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587191519 EI Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587191561 EI Annotated Mild C[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C ZINC000587191562 EI Annotated Anodyne C[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C ZINC000587191564 EI Annotated Anodyne Cc1c(Br)ccc2nc(COc3ccc(C#N)cc3)[nH]c12 ZINC000587191670 EI Annotated Mild COc1cc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Cl ZINC000587191995 EI Annotated Mild COc1cc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Cl ZINC000587191996 EI Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587192211 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587192272 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587192274 EI Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587192338 EI Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587192342 EI Annotated Mild Clc1c[nH]c2nc(CN(Cc3ccccc3)c3ccccc3)nc-2n1 ZINC000587192878 EI Annotated Anodyne Clc1ncnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587193061 EI Annotated Anodyne Clc1ncc2nc(CN(Cc3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000587193299 EI Annotated Anodyne CN(C)c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)nc1 ZINC000587194532 EI Annotated Anodyne CN(C)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)nc1 ZINC000587194541 EI Annotated Clean C[C@H](c1ccc(N(C)C)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587194699 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587194702 EI Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1C ZINC000587194864 EI Annotated Anodyne Cc1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587194935 EI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnccc3[nH]2)c1 ZINC000587195043 EI Annotated Anodyne Cc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587195048 EI Annotated Anodyne CN(C)c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)nc1 ZINC000587195302 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587195363 EI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587195364 EI Annotated Anodyne CN(C)c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)nc1 ZINC000587195505 EI Annotated Anodyne CN(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)nc1 ZINC000587195562 EI Annotated Anodyne COc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587195589 EI Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587195591 EI Annotated Anodyne Cc1cncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587195722 EI Annotated Anodyne COc1nccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587195729 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587195831 EI Annotated Bother C[C@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587195832 EI Annotated Bother Oc1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587195898 EI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587196093 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587196094 EI Annotated Anodyne COc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Cl ZINC000587196096 EI Annotated Anodyne COc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Cl ZINC000587196097 EI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587196125 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587196126 EI Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587196154 EI Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cccnc3N(C)C)nc2c1C ZINC000587196190 EI Annotated Anodyne Cc1nccc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587196263 EI Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1 ZINC000587196280 EI Annotated Clean C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587196313 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587196316 EI Annotated Anodyne COc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000587196361 EI Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 ZINC000587196431 EI Annotated Clean COc1cncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587196436 EI Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587196478 EI Annotated Anodyne CN(C)c1ncccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587196486 EI Annotated Anodyne CN(C)c1ncccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587196503 EI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587196588 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587196590 EI Annotated Anodyne Fc1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587196623 EI Annotated Anodyne Cc1ccnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587196664 EI Annotated Anodyne OCc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587196766 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587196843 EI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587196844 EI Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587196872 EI Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587196873 EI Annotated Anodyne CC(C)[C@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197246 EI Annotated Anodyne CC(C)[C@H](c1nc2cncc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197314 EI Annotated Anodyne CC(C)[C@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197318 EI Annotated Anodyne CC(C)[C@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197559 EI Annotated Anodyne CC(C)[C@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197603 EI Annotated Anodyne CC(C)[C@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197606 EI Annotated Anodyne CC(C)[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197717 EI Annotated Bother Cc1cc2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587197736 EI Annotated Anodyne CC(C)[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197739 EI Annotated Bother CC(C)[C@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197759 EI Annotated Anodyne COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587198147 EI Annotated Anodyne CC(C)[C@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198156 EI Annotated Anodyne CC(C)[C@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198161 EI Annotated Anodyne COc1cccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587198302 EI Annotated Anodyne CC(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587198369 EI Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccnc3[nH]2)c1 ZINC000587198693 EI Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C ZINC000587198711 EI Annotated Anodyne CC(C)[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C ZINC000587198991 EI Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000587199022 EI Annotated Anodyne CC(C)[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C ZINC000587199138 EI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C#N)cc2[nH]1 ZINC000587200824 EI Annotated Mild COc1ccc(NC(C)(C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587200902 EI Annotated Anodyne Cc1cccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587200929 EI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587201110 EI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(F)cc2[nH]1 ZINC000587201124 EI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(C#N)c2[nH]1 ZINC000587201126 EI Annotated Mild COc1ccc(NC(C)(C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587201140 EI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587201144 EI Annotated Mild COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587201145 EI Annotated Bother COc1ccc(NC(C)(C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587201195 EI Annotated Anodyne Cc1cc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587201472 EI Annotated Anodyne COc1cccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587201514 EI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587201798 EI Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(F)c2[nH]1 ZINC000587201800 EI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000587201808 EI Annotated Anodyne Cc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587201820 EI Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587201835 EI Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587202741 EI Annotated Reactive Cc1c(F)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 ZINC000587204197 EI Annotated Anodyne Cc1c(F)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 ZINC000587204199 EI Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587204587 EI Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587204588 EI Annotated Anodyne Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1F ZINC000587204975 EI Annotated Anodyne Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1F ZINC000587204976 EI Annotated Anodyne Cc1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c(C)n1 ZINC000587205003 EI Annotated Anodyne Cc1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c(C)n1 ZINC000587205006 EI Annotated Anodyne C[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@@H]1C(=O)O ZINC000587205633 EI Annotated Anodyne C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)O ZINC000587205634 EI Annotated Anodyne C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@@H]1C(=O)O ZINC000587205635 EI Annotated Anodyne C[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)O ZINC000587205636 EI Annotated Anodyne C[C@@H]1C[C@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587205639 EI Annotated Anodyne C[C@H]1C[C@@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587205640 EI Annotated Anodyne C[C@H]1C[C@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587205641 EI Annotated Anodyne C[C@@H]1C[C@@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587205642 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(=O)O)CC3 ZINC000587205663 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C(=O)O)CC3 ZINC000587205664 EI Annotated Anodyne Cc1nc2cccc3c2c(c1CCCC(=O)O)-c1ccccc1C3=O ZINC000587205980 EI Annotated Anodyne Cc1nc2cccc3c2c(c1CC(C)(C)C(=O)O)-c1ccccc1C3=O ZINC000587206185 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C3CCC3)nc3cccc1c23 ZINC000587206306 EI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)c1ccc(C)cc1 ZINC000587206409 EI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)c1ccc(C)cc1 ZINC000587206414 EI Annotated Anodyne CC[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587206464 EI Annotated Anodyne CC[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587206466 EI Annotated Anodyne O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)o1 ZINC000587206508 EI Annotated Anodyne CC(C)(CC(=O)O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206542 EI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(C)cc1 ZINC000587206551 EI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(C)cc1 ZINC000587206566 EI Annotated Anodyne C=CC[C@]1(C)C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206614 EI Annotated Mild C=CC[C@@]1(C)C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206618 EI Annotated Mild O=C(O)C[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587206729 EI Annotated Anodyne O=C(O)C[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587206731 EI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(C)cc1 ZINC000587206809 EI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(C)cc1 ZINC000587206810 EI Annotated Anodyne C[C@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O ZINC000587206814 EI Annotated Anodyne C[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O ZINC000587206819 EI Annotated Anodyne C[C@@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O ZINC000587206823 EI Annotated Anodyne C[C@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O ZINC000587206825 EI Annotated Anodyne Oc1cccc(Br)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587207006 EI Annotated Anodyne O=C(O)c1coc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587207019 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CC[C@H]3C(=O)C1 ZINC000587207023 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CC[C@@H]3C(=O)C1 ZINC000587207026 EI Annotated Anodyne CC(C)(CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)O ZINC000587207062 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CCC(=O)[C@H](C3)C1 ZINC000587207115 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CCC(=O)[C@@H](C3)C1 ZINC000587207116 EI Annotated Anodyne CC1(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000587207120 EI Annotated Anodyne Oc1ccc(Br)c2c1-c1nc3cccc4c3c(c1C2)CC4 ZINC000587207149 EI Annotated Anodyne Cc1c(C2=NCCS2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207210 EI Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)CC1=O ZINC000587207218 EI Annotated Anodyne Cc1c2c(nc3ccc(Br)cc13)-c1c(N)cccc1C2 ZINC000587207241 EI Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccco1 ZINC000587207283 EI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(C)cc1 ZINC000587207380 EI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(C)cc1 ZINC000587207381 EI Annotated Anodyne Cc1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587207461 EI Annotated Anodyne Cc1cc(Br)cnc1-c1cc2c3c(cccc3n1)CC2 ZINC000587207502 EI Annotated Anodyne O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000587207517 EI Annotated Anodyne O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000587207518 EI Annotated Anodyne O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000587207520 EI Annotated Anodyne O=C1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2C1 ZINC000587207521 EI Annotated Anodyne CC1(C)c2nc3cccc4c3c(c2CC[C@@H]1O)-c1ccccc1C4=O ZINC000587207620 EI Annotated Anodyne Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Br ZINC000587207644 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H](C(=O)O)C3 ZINC000587207673 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H](C(=O)O)C3 ZINC000587207674 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](CCO)CCC3 ZINC000587207689 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](CCO)CCC3 ZINC000587207690 EI Annotated Anodyne O=C(O)CCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207723 EI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(C)cc1 ZINC000587207781 EI Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(C)cc1 ZINC000587207782 EI Annotated Anodyne Cc1c(CC(=O)C2CC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207866 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC3(C(=O)O)CCC3)nc3cccc1c23 ZINC000587207926 EI Annotated Anodyne CC1(C)C(=O)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587207972 EI Annotated Anodyne O=CCCc1c(C2CC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207983 EI Annotated Mild Oc1ccc(-c2cc3c4c(cccc4n2)CC3)c(Br)c1 ZINC000587207998 EI Annotated Anodyne Brc1cncc(Cc2cnc3cccc4c3c2CC4)c1 ZINC000587208003 EI Annotated Anodyne CC(=O)C12CC(c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)(C1)C2 ZINC000587208020 EI Annotated Anodyne Nc1ccc2c(c1Br)-c1nc3cccc4c3c(c1C2)CC4 ZINC000587208071 EI Annotated Anodyne Cc1c2c(nc3cc(Br)ccc13)-c1c(N)cccc1C2 ZINC000587208126 EI Annotated Anodyne Oc1c(Br)cccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208156 EI Annotated Anodyne O=C1c2ccccc2-c2c(CCC(=O)C3CC3)cnc3cccc1c23 ZINC000587208217 EI Annotated Anodyne Cc1c(Br)cncc1Cc1cnc2cccc3c2c1CC3 ZINC000587208295 EI Annotated Anodyne Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208340 EI Annotated Anodyne Cc1nsc(N)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208346 EI Annotated Anodyne Oc1cc(Br)ccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208473 EI Annotated Anodyne Nc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Br ZINC000587208514 EI Annotated Anodyne Cc1sc(=N)[nH]c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208544 EI Annotated Anodyne Cc1cc(-c2cc3c4c(cccc4n2)CC3)ncc1Br ZINC000587208586 EI Annotated Anodyne Nc1cc(Br)cc(-c2cc3c4c(cccc4n2)CC3)c1O ZINC000587208593 EI Annotated Anodyne Nc1cc(Br)ccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208594 EI Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](C2CC2)C1)-c1ccccc1C4=O ZINC000587208705 EI Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](C2CC2)C1)-c1ccccc1C4=O ZINC000587208706 EI Annotated Anodyne Cc1[nH]c(=N)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208757 EI Annotated Anodyne Oc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208768 EI Annotated Anodyne CC(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208801 EI Annotated Anodyne CC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208803 EI Annotated Anodyne O=C(O)CCc1c(-c2ccc(Cl)cn2)nc2cccc3c2c1CC3 ZINC000587208822 EI Annotated Anodyne Clc1ccc(Cn2cc(-c3cc4c5c(cccc5n3)CC4)nn2)cc1 ZINC000587208833 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(CCCO1)C3 ZINC000587208923 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(CCCO1)C3 ZINC000587208924 EI Annotated Anodyne Clc1cc(-n2cncn2)ccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587209038 EI Annotated Anodyne Cc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1Cl ZINC000587209066 EI Annotated Anodyne O=C1c2ccccc2-c2c(CC3CCOCC3)cnc3cccc1c23 ZINC000587209087 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(CCOC1)C3 ZINC000587209156 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(CCOC1)C3 ZINC000587209157 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(CCOCC1)CC3 ZINC000587209185 EI Annotated Anodyne O[C@@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587209267 EI Annotated Anodyne O[C@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587209268 EI Annotated Anodyne CC1(C)O[C@H]2c3nc4cccc5c4c(c3C[C@H]2O1)-c1ccccc1C5=O ZINC000587209332 EI Annotated Anodyne Cc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c(Cl)c1 ZINC000587209571 EI Annotated Anodyne O=C1c2ccccc2-c2c(CCCC3OCCO3)cnc3cccc1c23 ZINC000587209608 EI Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587209617 EI Annotated Anodyne O=C1c2ccccc2-c2cc(CC3CCOCC3)nc3cccc1c23 ZINC000587209632 EI Annotated Anodyne CC(=O)SCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587209698 EI Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587209764 EI Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2cc3c4c(cccc4n2)CC3)c1O ZINC000587209802 EI Annotated Bother COC(=O)Cc1c(-c2ccc(Cl)cc2)nc2cccc3c2c1CC3 ZINC000587209810 EI Annotated Anodyne Cc1c(Cl)cccc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587209826 EI Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(CCOCC1)C3 ZINC000587209862 EI Annotated Anodyne CCSC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209921 EI Annotated Anodyne O=C(O)CSc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1F ZINC000587210070 EI Annotated Anodyne O=[N+]([O-])c1ccc(F)c(F)c1Cc1cc2c3c(cccc3n1)CC2 ZINC000587210143 EI Annotated Bother O[C@@](Cc1cc2c3c(cccc3n1)CC2)(c1ccccc1)C(F)(F)F ZINC000587210182 EI Annotated Anodyne O[C@](Cc1cc2c3c(cccc3n1)CC2)(c1ccccc1)C(F)(F)F ZINC000587210183 EI Annotated Anodyne Cn1nc(C(F)(F)F)c(-c2cc3c4c(cccc4n2)CC3)c1Cl ZINC000587210226 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@](F)(c2cc3c4c(cccc4n2)CC3)C1 ZINC000587210267 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)(c2cc3c4c(cccc4n2)CC3)C1 ZINC000587210268 EI Annotated Anodyne O=C(O)CSc1ccc(-c2cc3c4c(cccc4n2)CC3)c(F)c1 ZINC000587210299 EI Annotated Anodyne CCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 ZINC000587210519 EI Annotated Anodyne CCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 ZINC000587210520 EI Annotated Anodyne CC(=O)n1cc(-c2cc3c4c(cccc4n2)CC3)c2cc(C)cnc21 ZINC000587210536 EI Annotated Anodyne O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cccc3c2c1CC3 ZINC000587210571 EI Annotated Anodyne CCOC(=O)Cc1cccc(-c2cc3c4c(cccc4n2)CC3)c1F ZINC000587210629 EI Annotated Anodyne Cc1ccc(-n2nnc(-c3cc4c5c(cccc5n3)CC4)c2C)cc1 ZINC000587210662 EI Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)nc2cccc3c2c1CC3 ZINC000587210688 EI Annotated Anodyne Cc1cnc(O)n1-c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587210705 EI Annotated Anodyne COC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])c1 ZINC000587210797 EI Annotated Bother [N-]=[N+]=NCC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587210801 EI Annotated Clean FC(F)(F)c1cc(C2CC2)n(Cc2cc3c4c(cccc4n2)CC3)n1 ZINC000587210907 EI Annotated Anodyne Cn1ccnc1COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587210963 EI Annotated Anodyne CCc1cc(-c2cc3c4c(cccc4n2)CC3)c(OC)c([N+](=O)[O-])c1 ZINC000587211018 EI Annotated Bother O=C(O)CCn1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21 ZINC000587211052 EI Annotated Anodyne COc1cc2c(cc1[N+](=O)[O-])-c1nc3cccc4c3c(c1CC2)CC4 ZINC000587211114 EI Annotated Bother CCOC(=O)/C(=C\c1ccccc1)c1cc2c3c(cccc3n1)CC2 ZINC000587211147 EI Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)c1cc2c3c(cccc3n1)CC2 ZINC000587211148 EI Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CCc1cc2c3c(cccc3n1)CC2 ZINC000587211167 EI Annotated Anodyne COc1nc(N2CCCC2)ccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587211235 EI Annotated Anodyne c1ccc(CN2C[C@H]3c4nc5cccc6c5c(c4C[C@H]3C2)CC6)cc1 ZINC000587211296 EI Annotated Anodyne c1ccc(CN2C[C@@H]3Cc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 ZINC000587211298 EI Annotated Anodyne CCOC(=O)Cc1cccc(Cc2cnc3cccc4c3c2CC4)c1 ZINC000587211299 EI Annotated Anodyne c1ccc(CN2C[C@H]3Cc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 ZINC000587211300 EI Annotated Anodyne c1ccc(CN2C[C@H]3Cc4c(nc5cccc6c5c4CC6)[C@@H]3C2)cc1 ZINC000587211302 EI Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2 ZINC000587211329 EI Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2 ZINC000587211331 EI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2c1cc2c3c(cccc3n1)CC2 ZINC000587211357 EI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2c1cc2c3c(cccc3n1)CC2 ZINC000587211359 EI Annotated Anodyne CCCc1c2c(nc3cc4c(cc13)OCCO4)-c1c(N)cccc1C2 ZINC000587211459 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1Cc1cc2c3c(cccc3n1)CC2 ZINC000587211475 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1cc2c3c(cccc3n1)CC2 ZINC000587211477 EI Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Cn1cccn1 ZINC000587211538 EI Annotated Anodyne COc1ccc2[nH]c3c(c2c1)Cc1nc2cccc4c2c(c1C3)CC4 ZINC000587211569 EI Annotated Anodyne CC1(C)CN(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)C1=O ZINC000587211661 EI Annotated Anodyne Cc1c(C2(c3ccccc3)CCNCC2)nc2cccc3c2c1CC3 ZINC000587211707 EI Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1ccc(OCCC(=O)O)cc1)CC3 ZINC000587211737 EI Annotated Anodyne COc1ccccc1-n1cc(-c2cc3c4c(cccc4n2)CC3)cn1 ZINC000587211757 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587211783 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3[C@H]2C1)CC5 ZINC000587211784 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587211785 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3[C@H]2C1)CC5 ZINC000587211786 EI Annotated Anodyne c1ccc(CN2C[C@H]3c4nc5cccc6c5c(c4CC[C@H]3C2)CC6)cc1 ZINC000587211835 EI Annotated Anodyne c1ccc(CN2C[C@H]3CCc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 ZINC000587211836 EI Annotated Anodyne c1ccc(CN2C[C@@H]3CCc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 ZINC000587211838 EI Annotated Anodyne c1ccc(CN2C[C@H]3CCc4c(nc5cccc6c5c4CC6)[C@@H]3C2)cc1 ZINC000587211841 EI Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000587211895 EI Annotated Bother Cc1nc2cccc3c2c(c1Cc1c(C)[nH]c2ccccc2c1=O)CC3 ZINC000587211904 EI Annotated Anodyne c1ccc(CN2C[C@@H]3CCc4nc5cccc6c5c(c4[C@@H]3C2)CC6)cc1 ZINC000587212073 EI Annotated Anodyne c1ccc(CN2C[C@@H]3c4c(nc5cccc6c5c4CC6)CC[C@H]3C2)cc1 ZINC000587212075 EI Annotated Anodyne c1ccc(CN2C[C@H]3CCc4nc5cccc6c5c(c4[C@H]3C2)CC6)cc1 ZINC000587212076 EI Annotated Anodyne c1ccc(CN2C[C@H]3CCc4nc5cccc6c5c(c4[C@@H]3C2)CC6)cc1 ZINC000587212078 EI Annotated Anodyne Fc1ccc(NNC2=CCc3c(nc4cccc5c4c3CC5)C2)cc1 ZINC000587212117 EI Annotated Anodyne Fc1ncc(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587212121 EI Annotated Anodyne IC1=CCCc2c1nc1cccc3c1c2CC3 ZINC000587212134 EI Annotated Anodyne CCOC(=O)Cc1nc2cccc3c2c(c1Cc1ccccc1)CC3 ZINC000587212181 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2c(nc3cccc4c3c2CC4)CC1 ZINC000587212343 EI Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1-c1ccc(F)cc1 ZINC000587212356 EI Annotated Anodyne Cc1nc(N2CCCCC2)ncc1-c1cc2c3c(cccc3n1)CC2 ZINC000587212387 EI Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1nc3cccc4c3c(c1CC2)CC4 ZINC000587212523 EI Annotated Anodyne c1ccc(Cc2c([C@@H]3CCCNC3)nc3cccc4c3c2CC4)cc1 ZINC000587212555 EI Annotated Anodyne c1ccc(Cc2c([C@H]3CCCNC3)nc3cccc4c3c2CC4)cc1 ZINC000587212558 EI Annotated Anodyne Fc1cnc(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587212696 EI Annotated Anodyne CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 ZINC000587212726 EI Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1ccc(O[C@@H](C)C(=O)O)cc1)CC3 ZINC000587212767 EI Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1ccc(O[C@H](C)C(=O)O)cc1)CC3 ZINC000587212773 EI Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587212884 EI Annotated Anodyne O=C(O)c1c(-c2cc3c4c(cccc4n2)CC3)cnc2ccccc12 ZINC000587212895 EI Annotated Anodyne c1ccc(CN2C[C@H]3Cc4c(nc5cccc6c5c4CC6)C[C@H]3C2)cc1 ZINC000587212909 EI Annotated Anodyne c1ccc(CN2C[C@@H]3Cc4nc5cccc6c5c(c4C[C@H]3C2)CC6)cc1 ZINC000587212910 EI Annotated Anodyne c1ccc(CN2C[C@H]3Cc4nc5cccc6c5c(c4C[C@H]3C2)CC6)cc1 ZINC000587212911 EI Annotated Anodyne c1ccc(CN2C[C@H]3Cc4nc5cccc6c5c(c4C[C@@H]3C2)CC6)cc1 ZINC000587212912 EI Annotated Anodyne COC(=O)CCc1c(-c2ccc(OC)cc2)nc2cccc3c2c1CC3 ZINC000587213079 EI Annotated Anodyne CCCC(=O)Nc1ccc(O)c(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587213237 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2nc3cccc4c3c(c2CC1)CC4 ZINC000587213270 EI Annotated Anodyne Cc1ccc(-c2noc(Cc3cc4c5c(cccc5n3)CC4)n2)cc1 ZINC000587213368 EI Annotated Anodyne CN(Cc1ccccc1)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587213425 EI Annotated Anodyne CN(Cc1ccccc1)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587213426 EI Annotated Anodyne Fc1ccc(Br)nc1-c1cc2c3c(cccc3n1)CC2 ZINC000587213430 EI Annotated Anodyne CCN(C(=O)Cc1cc2c3c(cccc3n1)CC2)c1ccccc1C ZINC000587213433 EI Annotated Anodyne Fc1ccc(-n2ncc3c2CCc2c-3nc3cccc4c3c2CC4)cc1 ZINC000587213440 EI Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1nc3cccc4c3c(c1C2)CC4 ZINC000587213491 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](c2cc3c4c(cccc4n2)CC3)C1 ZINC000587213608 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3c4c(cccc4n2)CC3)C1 ZINC000587213611 EI Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1-c1cc2c3c(cccc3n1)CC2 ZINC000587213691 EI Annotated Anodyne Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCCC1 ZINC000587213699 EI Annotated Clean COc1ccc(-c2nc3cccc4c3c(c2[C@@H](C)C(=O)O)CC4)cc1 ZINC000587213706 EI Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2[C@H](C)C(=O)O)CC4)cc1 ZINC000587213709 EI Annotated Anodyne CC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)-c3cccc1c32 ZINC000587213718 EI Annotated Anodyne CC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3CC5)-c3cccc1c32 ZINC000587213721 EI Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)c1cc2c3c(cccc3n1)CC2 ZINC000587213923 EI Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1cc2c3c(cccc3n1)CC2 ZINC000587213925 EI Annotated Anodyne Fc1cnc(-c2cc3c4c(cccc4n2)CC3)c(Br)c1 ZINC000587213982 EI Annotated Anodyne Fc1cc(Br)cnc1-c1cc2c3c(cccc3n1)CC2 ZINC000587213984 EI Annotated Anodyne Cc1ccc(NC(=O)[C@@H](N=O)c2cc3c4c(cccc4n2)CC3)c(C)c1 ZINC000587214029 EI Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)c2cc3c4c(cccc4n2)CC3)c(C)c1 ZINC000587214033 EI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587214173 EI Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587214176 EI Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 ZINC000587214184 EI Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 ZINC000587214188 EI Annotated Anodyne Cc1cc(C)c(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c(C)c1 ZINC000587214423 EI Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1 ZINC000587214495 EI Annotated Anodyne CC(C)c1c(C2C(=O)CC(C)(C)CC2=O)nc2cccc3c2c1CC3 ZINC000587214502 EI Annotated Anodyne COc1cc(OC)c(-c2cc3c4c(cccc4n2)CC3)cc1C(C)=O ZINC000587214855 EI Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2CC4)-c2ccccc21 ZINC000587214861 EI Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2CC4)-c2ccccc21 ZINC000587214863 EI Annotated Anodyne CCOc1ccccc1[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 ZINC000587215035 EI Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 ZINC000587215036 EI Annotated Anodyne C=C1CC(c2nc3cccc4c3c(c2CCCC2OCCO2)CC4)C1 ZINC000587215147 EI Annotated Mild O=C(O)CC1=C(c2ccccc2)Cc2c1nc1cccc3c1c2CC3 ZINC000587215205 EI Annotated Anodyne CC1(C)COC2(C[C@H]3Cc4nc5cccc6c5c(c4[C@@H]3C2)CC6)OC1 ZINC000587215371 EI Annotated Anodyne CC1(C)COC2(C[C@@H]3Cc4nc5cccc6c5c(c4[C@@H]3C2)CC6)OC1 ZINC000587215373 EI Annotated Anodyne CC1(C)COC2(C[C@@H]3Cc4nc5cccc6c5c(c4[C@H]3C2)CC6)OC1 ZINC000587215376 EI Annotated Anodyne CC1(C)COC2(C[C@@H]3c4c(nc5cccc6c5c4CC6)C[C@@H]3C2)OC1 ZINC000587215377 EI Annotated Anodyne CCOC(=O)c1oc2c(c1C)-c1nc3cccc4c3c(c1CC2)CC4 ZINC000587215532 EI Annotated Anodyne c1cc2c3c(c4c(nc3c1)CC[C@H](C1CCC3(CC1)OCCO3)C4)CC2 ZINC000587215646 EI Annotated Anodyne c1cc2c3c(c4c(nc3c1)CC[C@@H](C1CCC3(CC1)OCCO3)C4)CC2 ZINC000587215647 EI Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1ccc(OC[C@@H]2CO2)cc1)CC3 ZINC000587215649 EI Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1ccc(OC[C@H]2CO2)cc1)CC3 ZINC000587215650 EI Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)CCC3)nc2cccc3c2c1CC3 ZINC000587215955 EI Annotated Anodyne O=C(O)C12C[C@H]3C[C@@H](C1)CC(c1cc4c5c(cccc5n1)CC4)(C3)C2 ZINC000587216109 EI Annotated Anodyne c1ccc(-c2nc3cccc4c3c(c2CC2OCCCO2)CC4)cc1 ZINC000587216159 EI Annotated Anodyne Cc1cc(=O)oc2c(-c3cc4c5c(cccc5n3)CC4)c(O)ccc12 ZINC000587216166 EI Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(C)cc1 ZINC000587216504 EI Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(C)cc1 ZINC000587216505 EI Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587216509 EI Annotated Unstable COc1ccc2cc(-c3cc4c5c(cccc5n3)CC4)c(=O)oc2c1 ZINC000587216630 EI Annotated Anodyne COC(=O)c1sccc1O[C@H](C)c1cc2c3c(cccc3n1)CC2 ZINC000587216720 EI Annotated Anodyne COC(=O)c1sccc1O[C@@H](C)c1cc2c3c(cccc3n1)CC2 ZINC000587216721 EI Annotated Anodyne CSc1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587216746 EI Annotated Anodyne CSc1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587216747 EI Annotated Anodyne Cc1c(-c2cccc(S(=O)(=O)Cl)c2)nc2cccc3c2c1CC3 ZINC000587216808 EI Annotated Unstable CCOC(=O)c1c(N)sc(-c2cc3c4c(cccc4n2)CC3)c1C ZINC000587216858 EI Annotated Anodyne COc1cccc2cc(-c3cc4c5c(cccc5n3)CC4)c(=O)oc12 ZINC000587216902 EI Annotated Anodyne C=CCc1cccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c12 ZINC000587217170 EI Annotated Mild C=CCc1cccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c12 ZINC000587217175 EI Annotated Mild CSc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 ZINC000587217392 EI Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(F)c2[nH]1)c1ccccc1 ZINC000587221279 EI Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(F)c2[nH]1)c1ccccc1 ZINC000587221280 EI Annotated Anodyne COc1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587223474 EI Annotated Anodyne COc1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587223481 EI Annotated Anodyne Cc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 ZINC000587223532 EI Annotated Anodyne Cc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 ZINC000587223538 EI Annotated Anodyne Cc1cc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c(C)n1 ZINC000587224136 EI Annotated Anodyne Cc1cc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c(C)n1 ZINC000587224137 EI Annotated Anodyne Cc1nccc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 ZINC000587224207 EI Annotated Anodyne Cc1nccc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 ZINC000587224209 EI Annotated Anodyne Cc1cccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587224355 EI Annotated Anodyne Cc1cccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587224358 EI Annotated Anodyne Cc1cncc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587224797 EI Annotated Anodyne Cc1cncc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587224799 EI Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587224829 EI Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587224832 EI Annotated Anodyne Cc1cnc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC000587225595 EI Annotated Anodyne Cc1cnc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 ZINC000587225596 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(O)cc2[nH]1)C1CCCC1 ZINC000587226095 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(O)cc2[nH]1)C1CCCC1 ZINC000587226096 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cccc(O)c2[nH]1)C1CCCC1 ZINC000587226114 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(O)c2[nH]1)C1CCCC1 ZINC000587226115 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C#N)cc2[nH]1)C1CCCC1 ZINC000587226527 EI Annotated Mild CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C#N)cc2[nH]1)C1CCCC1 ZINC000587226529 EI Annotated Mild CC(C)(C)OC(=O)N[C@H](c1nc2ccc(F)cc2[nH]1)C1CCCC1 ZINC000587226575 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(F)cc2[nH]1)C1CCCC1 ZINC000587226577 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cccc(F)c2[nH]1)C1CCCC1 ZINC000587226874 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(F)c2[nH]1)C1CCCC1 ZINC000587226885 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cccc(C#N)c2[nH]1)C1CCCC1 ZINC000587227227 EI Annotated Mild CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(C#N)c2[nH]1)C1CCCC1 ZINC000587227228 EI Annotated Mild COc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587227489 EI Annotated Anodyne COc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587227490 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587228639 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587228642 EI Annotated Anodyne COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1F ZINC000587228879 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587228923 EI Annotated Anodyne COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1C ZINC000587228978 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587229078 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587229106 EI Annotated Anodyne Clc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 ZINC000587229148 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587229161 EI Annotated Anodyne c1ccc(CNc2ncccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000587229215 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587229233 EI Annotated Anodyne N#Cc1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229318 EI Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587229337 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587229498 EI Annotated Anodyne Clc1cncc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229549 EI Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587229567 EI Annotated Anodyne Cc1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c(C)n1 ZINC000587229896 EI Annotated Anodyne N#Cc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 ZINC000587229967 EI Annotated Mild O=[N+]([O-])c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229995 EI Annotated Bother N#Cc1cccnc1NCc1cccc(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000587230063 EI Annotated Mild Cc1ccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2c1 ZINC000587230065 EI Annotated Mild Clc1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587230235 EI Annotated Anodyne Cc1cccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c12 ZINC000587230487 EI Annotated Mild Clc1nccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587230615 EI Annotated Anodyne Clc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 ZINC000587230671 EI Annotated Anodyne Clc1ccnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 ZINC000587230723 EI Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000587231025 EI Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cccc(F)c3[nH]2)c1 ZINC000587231169 EI Annotated Mild CCNC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587231359 EI Annotated Reactive Clc1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231425 EI Annotated Anodyne Clc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 ZINC000587231579 EI Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1F ZINC000587231667 EI Annotated Anodyne Clc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 ZINC000587232366 EI Annotated Anodyne Fc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1F ZINC000587232376 EI Annotated Anodyne Cc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c(C)n1 ZINC000587232400 EI Annotated Anodyne Fc1cc(F)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232407 EI Annotated Anodyne Clc1ccnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 ZINC000587232644 EI Annotated Anodyne Clc1nccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232661 EI Annotated Anodyne Clc1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232689 EI Annotated Anodyne Cc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587232713 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587232714 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587232718 EI Annotated Anodyne CCc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587232733 EI Annotated Anodyne Cc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587232765 EI Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587232766 EI Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587232778 EI Annotated Anodyne CCc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587232793 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000587232861 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587232930 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000587232951 EI Annotated Anodyne COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587233010 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587233016 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)c1 ZINC000587233058 EI Annotated Anodyne COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587233089 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 ZINC000587233143 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587233285 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587233312 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233325 EI Annotated Anodyne Cc1c(F)ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233331 EI Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587233356 EI Annotated Anodyne Cc1c(F)ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233365 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 ZINC000587233372 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)c1 ZINC000587233421 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587233432 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587233440 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 ZINC000587233442 EI Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587233496 EI Annotated Anodyne Cc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587233554 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587233562 EI Annotated Anodyne Cc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587233587 EI Annotated Anodyne C=CCc1cccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233605 EI Annotated Mild CNc1cccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587233612 EI Annotated Bother CNc1cccc(-c2cccc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 ZINC000587233652 EI Annotated Anodyne Cc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587233662 EI Annotated Anodyne Cc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587233689 EI Annotated Anodyne CC(=O)NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC(C)CC1 ZINC000587233798 EI Annotated Anodyne CSc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233905 EI Annotated Anodyne C=CCc1cccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233953 EI Annotated Mild CSc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587234082 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 ZINC000587234226 EI Annotated Anodyne CC(=O)NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCC(C)CC1 ZINC000587234336 EI Annotated Anodyne CC(=O)NC1(c2nc3ccc(C(C)(C)C)cc3[nH]2)CCC(C)CC1 ZINC000587234362 EI Annotated Anodyne CC(=O)NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCC(C)CC1 ZINC000587234475 EI Annotated Anodyne CC(=O)NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCC(C)CC1 ZINC000587234486 EI Annotated Anodyne CC(=O)NC1(c2nc3cccc(C(C)(C)C)c3[nH]2)CCC(C)CC1 ZINC000587234491 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 ZINC000587234641 EI Annotated Anodyne COc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587235029 EI Annotated Anodyne Cc1cccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587235057 EI Annotated Anodyne Cc1cc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587235166 EI Annotated Anodyne COc1cccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587235417 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000587235719 EI Annotated Anodyne Cc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587236011 EI Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(F)c2[nH]1 ZINC000587236088 EI Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 ZINC000587236132 EI Annotated Anodyne Cc1ccc(NC2(c3nc4nc(Cl)c[nH]c-4n3)CCCC2)cc1 ZINC000587236548 EI Annotated Anodyne Cc1ccc(NC2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CCCC2)cc1 ZINC000587236688 EI Annotated Bother CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587236755 EI Annotated Reactive CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587236756 EI Annotated Reactive CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587236757 EI Annotated Reactive CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587236758 EI Annotated Reactive Cc1ccc(NC2(c3nc4c(Cl)ncnc4[nH]3)CCCC2)cc1 ZINC000587236877 EI Annotated Anodyne Cc1ccc(NC2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CCCC2)cc1 ZINC000587237241 EI Annotated Bother Cc1ccc(NC2(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CCCC2)cc1 ZINC000587237278 EI Annotated Anodyne Cc1ccc(NC2(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CCCC2)cc1 ZINC000587237279 EI Annotated Anodyne Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)OCO5)CCCC2)cc1 ZINC000587237538 EI Annotated Anodyne Cc1ccc(NC2(c3nc4cnc(Cl)[nH]c-4n3)CCCC2)cc1 ZINC000587237558 EI Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(C(=O)O)cc4[nH]3)CCCC2)cc1 ZINC000587237573 EI Annotated Anodyne Cc1ccc(NC2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCCC2)cc1 ZINC000587237594 EI Annotated Anodyne Cc1ccc(NC2(c3nc4cc(C#N)c(C#N)cc4[nH]3)CCCC2)cc1 ZINC000587237789 EI Annotated Mild Cc1ccc(NC2(c3nc4ccc(CCO)cc4[nH]3)CCCC2)cc1 ZINC000587237807 EI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587238195 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1C ZINC000587238485 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(Cl)c(C)c3[nH]2)c1C ZINC000587238506 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)cc(C)c3[nH]2)c1C ZINC000587238509 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1C ZINC000587238634 EI Annotated Anodyne CSc1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 ZINC000587238673 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c1C ZINC000587238852 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc4c(c3[nH]2)CCCC4)c1C ZINC000587238921 EI Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587239110 EI Annotated Anodyne Cc1ccc2c(ccc3nc(CC(=O)Nc4cccc(C)c4C)[nH]c32)n1 ZINC000587239209 EI Annotated Anodyne Cc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Cl ZINC000587239316 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1C ZINC000587239542 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1C ZINC000587239609 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c1C ZINC000587239708 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)c(F)cc3[nH]2)c1C ZINC000587239760 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)cc(F)c3[nH]2)c1C ZINC000587239765 EI Annotated Anodyne COc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Cl ZINC000587239874 EI Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(OC(C)C)cc3[nH]2)c1C ZINC000587239880 EI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587239923 EI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587240388 EI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587240449 EI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587240702 EI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587240930 EI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(ccc3nc(C)ccc32)[nH]1 ZINC000587241199 EI Annotated Anodyne CCc1ccccc1NC(=O)c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587241303 EI Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccnc(O)c2[nH]1 ZINC000587241337 EI Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587241467 EI Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccnc(O)c3[nH]2)c1 ZINC000587241547 EI Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587241833 EI Annotated Anodyne COc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cn1 ZINC000587241934 EI Annotated Anodyne OCCc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 ZINC000587242189 EI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000587242221 EI Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 ZINC000587242467 EI Annotated Anodyne COc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2n1 ZINC000587242530 EI Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000587242541 EI Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(F)c3[nH]2)c1 ZINC000587242673 EI Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587242752 EI Annotated Anodyne COc1nccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 ZINC000587242906 EI Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000587242941 EI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cn1 ZINC000587244364 EI Annotated Anodyne C=CCc1cccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12 ZINC000587245079 EI Annotated Mild CC(C)(C)C(=O)Nc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cn1 ZINC000587245181 EI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cn1 ZINC000587245186 EI Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(CN)c3)[nH]c2c1C ZINC000587245868 EI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(C(C)(C)C)c3[nH]1)C2 ZINC000587246526 EI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(C(C)(C)C)c3[nH]1)C2 ZINC000587246528 EI Annotated Anodyne NCc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587246652 EI Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C1 ZINC000587246692 EI Annotated Anodyne NCc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587246893 EI Annotated Anodyne NCc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587247277 EI Annotated Anodyne N[C@@H]1CC[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C1 ZINC000587247339 EI Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccnc(O)c2[nH]1 ZINC000587247477 EI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4ccccc4cc3[nH]1)C2 ZINC000587247596 EI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4ccccc4cc3[nH]1)C2 ZINC000587247597 EI Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(C)(C)C)cc3[nH]1)C2 ZINC000587247636 EI Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(C)(C)C)cc3[nH]1)C2 ZINC000587247637 EI Annotated Anodyne Cc1c(F)ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12 ZINC000587247741 EI Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cn1 ZINC000587247774 EI Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2c1 ZINC000587247879 EI Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccnc2[nH]1 ZINC000587247918 EI Annotated Anodyne N=c1cc[nH]cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587248654 EI Annotated Anodyne Nc1cccc(O)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587249013 EI Annotated Anodyne N#Cc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1N ZINC000587249027 EI Annotated Mild N#Cc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1N ZINC000587249076 EI Annotated Mild Cc1ccc(CCc2nc3cc(Br)c(F)cc3[nH]2)cc1N ZINC000587249479 EI Annotated Anodyne N=c1cc[nH]cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587249583 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000587249622 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587249629 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000587249672 EI Annotated Anodyne Cc1ccc(CCc2nc3cccc(Br)c3[nH]2)cc1N ZINC000587249730 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587250058 EI Annotated Anodyne Cc1ccc(CCc2nc3ccc(F)c(Br)c3[nH]2)cc1N ZINC000587250088 EI Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(N)c(C#N)c3)[nH]c2c1C ZINC000587250149 EI Annotated Mild Cc1cc(Br)c2[nH]c(CCc3ccc(C)c(N)c3)nc2c1 ZINC000587250207 EI Annotated Anodyne Cc1ccc(CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1N ZINC000587250247 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587250363 EI Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587250369 EI Annotated Anodyne N#Cc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1N ZINC000587250409 EI Annotated Mild Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587250453 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000587250466 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587250495 EI Annotated Anodyne Cc1ccc(CCc2nc3ccc(Br)c(F)c3[nH]2)cc1N ZINC000587250536 EI Annotated Anodyne Cc1ccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1N ZINC000587250552 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587250555 EI Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000587250570 EI Annotated Mild Cc1ccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1N ZINC000587250607 EI Annotated Anodyne Cc1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1N ZINC000587250618 EI Annotated Anodyne Cc1ccc(CCc2nc3cc(Br)cc(F)c3[nH]2)cc1N ZINC000587250827 EI Annotated Anodyne Cc1ccc(CCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1N ZINC000587250836 EI Annotated Mild N#Cc1nc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc12 ZINC000587250837 EI Annotated Mild Cc1ccc(CCc2nc3cc(C)c(Br)cc3[nH]2)cc1N ZINC000587250840 EI Annotated Anodyne Nc1cccc(O)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587250844 EI Annotated Anodyne Cc1ccc(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1N ZINC000587251060 EI Annotated Anodyne Cc1ccc(CCc2nc3cc(Br)cc(C)c3[nH]2)cc1N ZINC000587251088 EI Annotated Anodyne Cc1ccc(CCc2nc3cc(F)cc(Br)c3[nH]2)cc1N ZINC000587251111 EI Annotated Anodyne Cc1ccc(CCc2nc3ccc(Br)c(C)c3[nH]2)cc1N ZINC000587251150 EI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587251199 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587251216 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587251217 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587251229 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587251230 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587251236 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587251237 EI Annotated Anodyne Nc1cc(-c2nc3ccc(Br)nc3[nH]2)c2ccccc2c1 ZINC000587251273 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587251362 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587251363 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587251465 EI Annotated Bother Nc1ccc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587251466 EI Annotated Bother Nc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc2c1 ZINC000587251501 EI Annotated Anodyne Nc1ccc2oc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2c1 ZINC000587251505 EI Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2c1 ZINC000587251513 EI Annotated Anodyne Nc1ccc2oc(-c3nc4cccc(Br)c4[nH]3)cc2c1 ZINC000587251535 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587251576 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587251577 EI Annotated Anodyne Nc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c2ccccc2c1 ZINC000587251590 EI Annotated Anodyne Nc1cc(-c2nc3cc(Br)cnc3[nH]2)c2ccccc2c1 ZINC000587251684 EI Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000587251713 EI Annotated Anodyne Nc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc2c1 ZINC000587251719 EI Annotated Anodyne Nc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc2c1 ZINC000587251761 EI Annotated Anodyne Nc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2c1 ZINC000587251774 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587251806 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587251807 EI Annotated Anodyne Cc1nc2[nH]c(-c3cc4cc(N)ccc4o3)nc2cc1Br ZINC000587251841 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 ZINC000587251842 EI Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 ZINC000587251843 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587251877 EI Annotated Bother Nc1ccc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587251879 EI Annotated Bother Nc1ccc2oc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2c1 ZINC000587251934 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 ZINC000587251952 EI Annotated Anodyne Nc1cc(-c2nc3c(Br)ccnc3[nH]2)c2ccccc2c1 ZINC000587251956 EI Annotated Anodyne Nc1ccc2oc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2c1 ZINC000587251979 EI Annotated Bother Cc1cc(Br)cc2nc(/C=C\c3ccc(N)cc3)[nH]c12 ZINC000587251987 EI Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/c3ccc(N)cc3)[nH]c12 ZINC000587251989 EI Annotated Anodyne N#Cc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cc1C(F)(F)F ZINC000587252004 EI Annotated Mild Nc1cc(-c2nc3cc(Br)ncc3[nH]2)c2ccccc2c1 ZINC000587252031 EI Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2c1 ZINC000587252042 EI Annotated Anodyne Cc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1Br ZINC000587252100 EI Annotated Anodyne Cc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br ZINC000587252101 EI Annotated Anodyne N#Cc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1C(F)(F)F ZINC000587252129 EI Annotated Mild N#Cc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1C(F)(F)F ZINC000587252130 EI Annotated Mild Nc1cc(-c2nc3ccnc(Br)c3[nH]2)c2ccccc2c1 ZINC000587252191 EI Annotated Anodyne Nc1ccc2oc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2c1 ZINC000587252284 EI Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2c1 ZINC000587252296 EI Annotated Anodyne Nc1cnc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)nc1 ZINC000587252303 EI Annotated Reactive Cc1c(Br)ccc2nc(/C=C/c3ccc(N)cc3)[nH]c12 ZINC000587252319 EI Annotated Anodyne Cc1c(Br)ccc2nc(/C=C\c3ccc(N)cc3)[nH]c12 ZINC000587252320 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587252325 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587252326 EI Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000587252338 EI Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000587252339 EI Annotated Anodyne Nc1ccc2oc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2c1 ZINC000587252518 EI Annotated Anodyne Nc1ccc2oc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2c1 ZINC000587252585 EI Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc2ccccc12 ZINC000587253095 EI Annotated Anodyne N=c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 ZINC000587253204 EI Annotated Anodyne N=c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc2[nH]1 ZINC000587253224 EI Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc2ccccc12 ZINC000587253515 EI Annotated Anodyne COc1cncc(N)c1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587253516 EI Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 ZINC000587253608 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 ZINC000587253759 EI Annotated Anodyne Nc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc2ccccc12 ZINC000587253769 EI Annotated Anodyne N=c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 ZINC000587253830 EI Annotated Anodyne N=c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc2[nH]1 ZINC000587253839 EI Annotated Anodyne Nc1c(-c2nc3cc(Br)ncc3[nH]2)ccc2ccccc12 ZINC000587253963 EI Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c[nH]1 ZINC000587254024 EI Annotated Anodyne N=c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc2[nH]1 ZINC000587254052 EI Annotated Anodyne Nc1cncc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587254101 EI Annotated Anodyne Nc1ncccc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587254349 EI Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc2ccccc12 ZINC000587254377 EI Annotated Anodyne N=c1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c[nH]1 ZINC000587254547 EI Annotated Anodyne N=c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2ccccc2[nH]1 ZINC000587254671 EI Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc2ccccc12 ZINC000587254699 EI Annotated Anodyne Nc1c(-c2nc3ccc(Br)nc3[nH]2)ccc2ccccc12 ZINC000587254736 EI Annotated Anodyne Nc1c(-c2nc3c(Br)ccnc3[nH]2)ccc2ccccc12 ZINC000587254752 EI Annotated Anodyne N=c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c2ccccc2[nH]1 ZINC000587254777 EI Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 ZINC000587254807 EI Annotated Anodyne Nc1c(-c2nc3ccnc(Br)c3[nH]2)ccc2ccccc12 ZINC000587254914 EI Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 ZINC000587255106 EI Annotated Anodyne Cc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1Cl ZINC000587255111 EI Annotated Anodyne NC1CCC(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 ZINC000587256901 EI Annotated Anodyne C=CC[C@@](C)(N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587257578 EI Annotated Mild C=CC[C@@](C)(N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587257593 EI Annotated Mild CCCOc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br ZINC000587257626 EI Annotated Anodyne C=CC[C@@](C)(N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587257680 EI Annotated Mild C=CC[C@@](C)(N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587257719 EI Annotated Mild C=CC[C@@](C)(N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587257792 EI Annotated Mild CC(C)Oc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br ZINC000587258012 EI Annotated Anodyne CC(C)[C@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587258418 EI Annotated Anodyne COc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1F ZINC000587258490 EI Annotated Anodyne COc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1C ZINC000587258598 EI Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1 ZINC000587258685 EI Annotated Mild N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1cccc2ccccc12 ZINC000587258699 EI Annotated Anodyne Cc1cc2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2cc1[N+](=O)[O-] ZINC000587258749 EI Annotated Bother CC(C)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587258821 EI Annotated Anodyne CC(C)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587258952 EI Annotated Anodyne N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1cccc2ccccc12 ZINC000587259001 EI Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br ZINC000587259100 EI Annotated Anodyne CC(C)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587259103 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc12 ZINC000587259140 EI Annotated Anodyne CC(C)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587259141 EI Annotated Anodyne CCCCOc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br ZINC000587259569 EI Annotated Anodyne [N-]=[N+]=NCCCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587259645 EI Annotated Clean Cc1c(Br)cnc2[nH]c(CCCCCCN=[N+]=[N-])nc12 ZINC000587259650 EI Annotated Clean CCOC(=O)Cc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 ZINC000587259818 EI Annotated Clean [N-]=[N+]=NCCCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587260259 EI Annotated Clean [N-]=[N+]=NCCCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587260281 EI Annotated Clean [N-]=[N+]=NCCCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587260626 EI Annotated Clean COC(=O)c1cc(Cl)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1 ZINC000587260658 EI Annotated Clean Cc1nc2[nH]c(CCCCCCN=[N+]=[N-])nc2cc1Br ZINC000587260673 EI Annotated Clean COc1cc(-c2nc3cc(C)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260688 EI Annotated Bother Cc1c(-c2nc3cccc(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587260791 EI Annotated Bother Cc1c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587260805 EI Annotated Mild COc1cc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260821 EI Annotated Bother Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587260902 EI Annotated Bother Cc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261082 EI Annotated Bother Cc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261165 EI Annotated Bother COc1cc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261229 EI Annotated Bother Cc1cc(C#Cc2nc3cccc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261507 EI Annotated Mild Cc1cc(C#Cc2nc3ccc(Cl)c(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261587 EI Annotated Mild Cc1cc(C#Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261648 EI Annotated Mild Cc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Cl ZINC000587261715 EI Annotated Mild C=CCc1cccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12 ZINC000587261716 EI Annotated Mild Cc1cc(C#Cc2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261911 EI Annotated Mild Cc1cc(C#Cc2nc3cccc(C(C)(C)C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262313 EI Annotated Mild Cc1cc(C#Cc2nc3cc(Cl)cc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262398 EI Annotated Mild Cc1cc(C#Cc2nc3cc4ccccc4cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262436 EI Annotated Mild Cc1cc(C#Cc2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262464 EI Annotated Mild Cc1ccc2c(ccc3nc(C#Cc4ccc([N+](=O)[O-])c(C)c4)[nH]c32)n1 ZINC000587262616 EI Annotated Mild Cc1cc(C#Cc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262630 EI Annotated Mild Cc1cc(C#Cc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262712 EI Annotated Mild Cc1cc(C#Cc2nc3ccc4c(c3[nH]2)CCCC4)ccc1[N+](=O)[O-] ZINC000587262745 EI Annotated Mild COc1cc(OCc2nc3cc(C)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262926 EI Annotated Bother COc1cc(OCc2nc3ccc(Cl)c(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262976 EI Annotated Bother COc1cc(OCc2nc3cc(Cl)cc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263086 EI Annotated Bother COc1cc(OCc2nc3cc4ccccc4cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263353 EI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)nccc3[nH]2)o1 ZINC000587264168 EI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(Cl)cc3[nH]2)o1 ZINC000587264496 EI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnc(Cl)cc3[nH]2)o1 ZINC000587264519 EI Annotated Bother N#Cc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 ZINC000587264630 EI Annotated Mild O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nccc(Cl)c3[nH]2)o1 ZINC000587264656 EI Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587264900 EI Annotated Bother N#Cc1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587265160 EI Annotated Mild O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)cncc3[nH]2)o1 ZINC000587265175 EI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)o1 ZINC000587265583 EI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)o1 ZINC000587265594 EI Annotated Bother COc1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587265666 EI Annotated Bother Cc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c(C)n1 ZINC000587265845 EI Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)ccc3[nH]2)o1 ZINC000587266349 EI Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587267632 EI Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587268339 EI Annotated Bother Cc1oc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000587268520 EI Annotated Bother Cc1oc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000587268550 EI Annotated Bother Cc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Br ZINC000587268552 EI Annotated Bother Cc1oc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268563 EI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(Cl)c3[nH]2)c1 ZINC000587268649 EI Annotated Bother Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1C ZINC000587268745 EI Annotated Bother Cc1ccc(C)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 ZINC000587268780 EI Annotated Bother Cc1oc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268849 EI Annotated Bother Cc1oc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268927 EI Annotated Bother CCc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587268994 EI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000587269005 EI Annotated Bother Cc1cc(Br)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 ZINC000587269087 EI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587269298 EI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000587269309 EI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587269318 EI Annotated Bother CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587269395 EI Annotated Bother C=CCc1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587269457 EI Annotated Mild Cc1oc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269619 EI Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(F)c4[nH]3)c2)c1 ZINC000587269924 EI Annotated Bother Cc1cc(F)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 ZINC000587269948 EI Annotated Bother CC(C)(C)c1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587270102 EI Annotated Bother N#Cc1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587270297 EI Annotated Mild COc1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587270341 EI Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3ccccc3cc2[nH]1 ZINC000587270357 EI Annotated Bother Cc1cc(C)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 ZINC000587270369 EI Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000587270376 EI Annotated Bother Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1C ZINC000587270417 EI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)cc3[nH]2)c1 ZINC000587270440 EI Annotated Bother Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1F ZINC000587270452 EI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cccc(Br)c3[nH]2)c1 ZINC000587270706 EI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000587270732 EI Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000587270891 EI Annotated Bother Cc1ccc2c(ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c32)n1 ZINC000587270956 EI Annotated Bother CCCC/C=C/C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273745 EI Annotated Mild CCCC/C=C\C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273830 EI Annotated Mild CCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274087 EI Annotated Anodyne Cn1nc([N+](=O)[O-])cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587274744 EI Annotated Bother C[C@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275646 EI Annotated Bother C[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275648 EI Annotated Bother O=C(c1cncc(Br)c1)c1coc2ccc(Cl)cc12 ZINC000587275784 EI Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275820 EI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275822 EI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275823 EI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275826 EI Annotated Clean O=C(c1ccc(Br)cn1)c1coc2ccc(Cl)cc12 ZINC000587276095 EI Annotated Anodyne O=C(COc1ccc([N+](=O)[O-])cc1)c1coc2ccc(Cl)cc12 ZINC000587276428 EI Annotated Bother O=C(COc1ccccc1[N+](=O)[O-])c1coc2ccc(Cl)cc12 ZINC000587276456 EI Annotated Bother O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1coc2ccc(Cl)cc12 ZINC000587276527 EI Annotated Bother O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)c1coc2ccc(Cl)cc12 ZINC000587276738 EI Annotated Reactive Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1coc2ccc(Cl)cc12 ZINC000587276749 EI Annotated Bother O=C(c1coc2ccc(Cl)cc12)C1(Br)CCOCC1 ZINC000587276772 EI Annotated Anodyne O=C(Cc1ccc2c(c1)OCCO2)c1coc2ccc(Cl)cc12 ZINC000587276781 EI Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)c1coc3ccc(Cl)cc13)OC2=O ZINC000587276938 EI Annotated Anodyne CC1(C)[C@]2(C(=O)c3coc4ccc(Cl)cc34)CC[C@@]1(C)C(=O)O2 ZINC000587276945 EI Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277432 EI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277433 EI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277434 EI Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnccc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277435 EI Annotated Clean N#Cc1ccc2c(C(=O)Cn3nc(C4CC4)cc3C(F)F)coc2c1 ZINC000587277613 EI Annotated Mild N#Cc1ccc2c(C(=O)c3c(F)cccc3Br)coc2c1 ZINC000587277620 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccccc3OC(F)(F)F)coc2c1 ZINC000587277655 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cc([N+](=O)[O-])ccc3Cl)coc2c1 ZINC000587277699 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(C(=O)C(F)(F)F)cc3)coc2c1 ZINC000587277716 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)coc2c1 ZINC000587277736 EI Annotated Mild Cn1nc(C(F)(F)F)cc1C(=O)c1coc2ccc(Cl)cc12 ZINC000587277759 EI Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc(F)c(Cl)nc3Cl)coc2c1 ZINC000587277838 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cc(F)ccc3Br)coc2c1 ZINC000587277854 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cc(F)cc(Br)c3)coc2c1 ZINC000587277873 EI Annotated Mild COc1cc(C(=O)c2coc3cc(C#N)ccc23)ccc1OC(F)F ZINC000587277877 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])coc2c1 ZINC000587277910 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cccc(Cl)c3[N+](=O)[O-])coc2c1 ZINC000587277952 EI Annotated Mild COc1cc(C(=O)c2coc3cc(C#N)ccc23)ccc1OC(C)C ZINC000587277963 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)coc2c1 ZINC000587277965 EI Annotated Mild Cc1c(C(=O)c2coc3cc(C#N)ccc23)cnn1-c1ccc(F)cc1 ZINC000587278008 EI Annotated Mild Cc1oc(-c2ccccc2)nc1C(=O)c1coc2cc(C#N)ccc12 ZINC000587278054 EI Annotated Mild O=C(c1coc2ccc(Cl)cc12)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000587278180 EI Annotated Anodyne O=C(c1coc2ccc(Cl)cc12)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000587278182 EI Annotated Anodyne N#Cc1ccc2c(C(=O)c3ccc(Br)cc3F)coc2c1 ZINC000587278253 EI Annotated Mild CC(C)n1nc(C(F)(F)F)cc1C(=O)c1coc2cc(C#N)ccc12 ZINC000587278258 EI Annotated Mild N#Cc1ccc2c(C(=O)CS[C@@H](Cl)C(F)(F)F)coc2c1 ZINC000587278265 EI Annotated Reactive N#Cc1ccc2c(C(=O)CS[C@H](Cl)C(F)(F)F)coc2c1 ZINC000587278266 EI Annotated Reactive N#Cc1ccc2c(C(=O)c3cccc(OC(F)(F)F)c3)coc2c1 ZINC000587278274 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cc(Br)ccc3F)coc2c1 ZINC000587278317 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cccc(Br)c3F)coc2c1 ZINC000587278328 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(F)cc3Br)coc2c1 ZINC000587278329 EI Annotated Mild C[C@H](Oc1ccc(F)cc1F)C(=O)c1coc2cc(C#N)ccc12 ZINC000587278349 EI Annotated Mild C[C@@H](Oc1ccc(F)cc1F)C(=O)c1coc2cc(C#N)ccc12 ZINC000587278352 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(F)c(Br)c3)coc2c1 ZINC000587278360 EI Annotated Mild Cc1[nH]c2ccccc2c1C(=O)C(=O)c1coc2cc(C#N)ccc12 ZINC000587278369 EI Annotated Mild Cn1ncc(C(=O)c2coc3ccc(Cl)cc23)c1C(F)(F)F ZINC000587278395 EI Annotated Anodyne O=C(c1cc(Cl)nnc1Cl)c1coc2ccc(Cl)cc12 ZINC000587278398 EI Annotated Anodyne O=C(c1cc(Cl)nc(Cl)n1)c1coc2ccc(Cl)cc12 ZINC000587278412 EI Annotated Anodyne N#Cc1ccc2c(C(=O)c3cccc(Br)c3)coc2c1 ZINC000587278471 EI Annotated Mild N#Cc1ccc2c(C(=O)Cc3cccc(Br)c3)coc2c1 ZINC000587278548 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(Br)c(F)c3)coc2c1 ZINC000587278622 EI Annotated Mild Cc1nn(-c2ccccc2)nc1C(=O)c1coc2ccc(Cl)cc12 ZINC000587278649 EI Annotated Anodyne O=C(c1nn2cccnc2c1Cl)c1coc2ccc(Cl)cc12 ZINC000587278774 EI Annotated Anodyne N#Cc1ccc2c(C(=O)c3ccc(Br)cc3)coc2c1 ZINC000587278797 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(OC(F)(F)F)cc3)coc2c1 ZINC000587278874 EI Annotated Mild Cc1nc(C(F)(F)F)ccc1C(=O)c1coc2cc(C#N)ccc12 ZINC000587278912 EI Annotated Mild CC(C)Oc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587278922 EI Annotated Bother O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587278935 EI Annotated Mild O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587278936 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccsc3Br)coc2c1 ZINC000587278949 EI Annotated Mild N#Cc1ccc2c(C(=O)c3cscc3Br)coc2c1 ZINC000587278961 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(-c4csnn4)cc3)coc2c1 ZINC000587279013 EI Annotated Mild O=C(c1cccc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279017 EI Annotated Bother COc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1C ZINC000587279023 EI Annotated Bother Cc1nc(C(F)(F)F)c(C(=O)c2coc3cc(C#N)ccc23)s1 ZINC000587279070 EI Annotated Mild Cn1cc(C(=O)c2coc3ccc(Cl)cc23)c(C(F)(F)F)n1 ZINC000587279088 EI Annotated Anodyne N#Cc1ccc2c(C(=O)c3cccc(F)c3Br)coc2c1 ZINC000587279093 EI Annotated Mild Cc1cc(C(F)(F)F)nn1CC(=O)c1coc2ccc(Cl)cc12 ZINC000587279196 EI Annotated Anodyne O=C(c1cnc(Cl)nc1Cl)c1coc2ccc(Cl)cc12 ZINC000587279236 EI Annotated Anodyne O=C(CCS(=O)(=O)c1ccccc1)c1coc2ccc(Cl)cc12 ZINC000587279240 EI Annotated Anodyne CCOC(=O)Oc1ccc(C(=O)c2coc3cc(C#N)ccc23)cc1 ZINC000587279433 EI Annotated Mild Cc1noc(-c2ccccc2)c1C(=O)c1coc2cc(C#N)ccc12 ZINC000587279445 EI Annotated Mild CCOc1ccc(C(=O)c2coc3cc(C#N)ccc23)cc1OCC ZINC000587279451 EI Annotated Mild N#Cc1ccc2c(C(=O)Cc3ccc(Br)cc3)coc2c1 ZINC000587279463 EI Annotated Mild Cc1c(C(=O)c2coc3cc(C#N)ccc23)cnn1-c1ccccc1 ZINC000587279474 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(Br)s3)coc2c1 ZINC000587279537 EI Annotated Mild O=C(CCCCCBr)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279547 EI Annotated Reactive Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cnn1-c1ccccc1 ZINC000587279556 EI Annotated Bother CCOC(=O)CCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279584 EI Annotated Bother O=C(c1ccc(-c2ncccn2)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279595 EI Annotated Bother N#Cc1ccc2c(C(=O)Cc3ccccc3Br)coc2c1 ZINC000587279646 EI Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)c1coc2cc(C#N)ccc12 ZINC000587279650 EI Annotated Mild N#Cc1ccc2c(C(=O)C3(c4ccccc4)CCOCC3)coc2c1 ZINC000587279652 EI Annotated Mild N#Cc1ccc2c(C(=O)c3ccccc3Br)coc2c1 ZINC000587279662 EI Annotated Mild Cc1[nH]c2ccccc2c1C(=O)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279680 EI Annotated Clean O=C(c1ccc(Br)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279698 EI Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(Br)CCCC1 ZINC000587279758 EI Annotated Bother CCSc1ncccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279794 EI Annotated Bother O=C(c1cc(Cl)cnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279805 EI Annotated Bother O=C(c1nc(Cl)ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279837 EI Annotated Bother O=C(Cl)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)s1 ZINC000587279839 EI Annotated Reactive O=C(c1cc([N+](=O)[O-])ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279846 EI Annotated Bother COc1ccc(CCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587279893 EI Annotated Bother O=C(c1ccccc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279913 EI Annotated Bother CSc1nsc(SC)c1C(=O)c1coc2cc(C#N)ccc12 ZINC000587279946 EI Annotated Mild O=C(CCCCBr)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279964 EI Annotated Reactive N#Cc1ccc2c(C(=O)c3cc(Br)cs3)coc2c1 ZINC000587279965 EI Annotated Mild O=C(COc1ccc(Cl)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280050 EI Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(c2ccc(F)cc2)CC1 ZINC000587280106 EI Annotated Bother O=C(c1cnc(Cl)c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280142 EI Annotated Bother CCCSc1ncccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280150 EI Annotated Bother O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280154 EI Annotated Bother O=C(c1ccc(OC(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280158 EI Annotated Bother O=C(c1ccnc(Cl)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280160 EI Annotated Bother O=C(c1ncoc1-c1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280161 EI Annotated Bother O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280162 EI Annotated Bother C[C@@H](Oc1ccc(F)cc1F)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280187 EI Annotated Bother C[C@H](Oc1ccc(F)cc1F)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280188 EI Annotated Bother O=C(c1ccc(Cl)nc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280191 EI Annotated Bother COc1cccc(CCC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F ZINC000587280250 EI Annotated Bother O=C(c1cccc(Cl)c1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280262 EI Annotated Bother O=C(c1ccc([N+](=O)[O-])c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280283 EI Annotated Bother O=C(c1csc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280298 EI Annotated Bother O=C(c1ncsc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280302 EI Annotated Bother O=C(c1c(Cl)ccnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280417 EI Annotated Bother N#Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1Cl ZINC000587280460 EI Annotated Mild O=C(c1coc2ccccc12)[C@@H](Br)CCBr ZINC000587280499 EI Annotated Reactive O=C(c1coc2ccccc12)[C@H](Br)CCBr ZINC000587280502 EI Annotated Reactive O=C(c1cc(F)c(F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280557 EI Annotated Bother O=C(c1cc(Cl)nc(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280559 EI Annotated Bother O=C(c1cc([N+](=O)[O-])ccc1Br)c1coc2ccccc12 ZINC000587280570 EI Annotated Bother Cc1cc(=O)oc2c(OCC(=O)c3coc4ccccc34)cccc12 ZINC000587280794 EI Annotated Anodyne O=C(CCCS(=O)(=O)c1ccc(F)cc1)c1coc2ccccc12 ZINC000587280831 EI Annotated Anodyne CSc1nc(Cl)c(C(=O)c2coc3ccccc23)c(Cl)n1 ZINC000587280925 EI Annotated Anodyne Cc1ccc(S(=O)(=O)CCCC(=O)c2coc3ccccc23)cc1 ZINC000587280931 EI Annotated Anodyne O=C(c1coc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000587281059 EI Annotated Anodyne O=C(c1coc2ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000587281060 EI Annotated Anodyne O=C(CCCS(=O)(=O)Cc1ccccc1)c1coc2ccccc12 ZINC000587281125 EI Annotated Anodyne C[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323552 EI Annotated Reactive C[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323554 EI Annotated Reactive C[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323555 EI Annotated Reactive C[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323556 EI Annotated Reactive CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324822 EI Annotated Reactive CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324825 EI Annotated Reactive CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324826 EI Annotated Reactive CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324827 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587325436 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587325437 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587325438 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587325439 EI Annotated Reactive C[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325890 EI Annotated Reactive C[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325891 EI Annotated Reactive C[C@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325892 EI Annotated Reactive C[C@@]1(CCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325893 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327079 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327083 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327085 EI Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327087 EI Annotated Reactive O=C1c2ccc(O)cc2OC2(CC(F)(F)C2)[C@H]1c1ccc(F)cc1 ZINC000587332701 EI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(F)(F)C2)[C@@H]1c1ccc(F)cc1 ZINC000587332710 EI Annotated Anodyne CC[C@]1([C@H](C)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332816 EI Annotated Mild CC[C@]1([C@@H](C)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332824 EI Annotated Mild CC[C@]1([C@@H](C)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332826 EI Annotated Mild CC[C@]1([C@H](C)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332829 EI Annotated Mild CCC[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336379 EI Annotated Mild CCC[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336382 EI Annotated Mild CCC[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336385 EI Annotated Mild CCC[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336389 EI Annotated Mild C[C@]1(CCCC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338011 EI Annotated Mild C[C@@]1(CCCC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338014 EI Annotated Mild C[C@@]1(CCCC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338017 EI Annotated Mild C[C@]1(CCCC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338020 EI Annotated Mild C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340139 EI Annotated Anodyne C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340140 EI Annotated Anodyne C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340141 EI Annotated Anodyne C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340142 EI Annotated Anodyne C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340835 EI Annotated Anodyne C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340836 EI Annotated Anodyne C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340837 EI Annotated Anodyne C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340838 EI Annotated Anodyne CC(C)[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340852 EI Annotated Mild CC(C)[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340854 EI Annotated Mild CC(C)[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340856 EI Annotated Mild CC(C)[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340857 EI Annotated Mild CC[C@H](C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341221 EI Annotated Mild CC[C@H](C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341222 EI Annotated Mild CC[C@H](C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341224 EI Annotated Mild CC[C@H](C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341225 EI Annotated Mild C[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343141 EI Annotated Anodyne C[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343145 EI Annotated Anodyne C[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343146 EI Annotated Anodyne C[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343149 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c[nH]cc32)[C@@H]1c1ccc(F)cc1 ZINC000587343664 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c[nH]cc32)[C@H]1c1ccc(F)cc1 ZINC000587343672 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c[nH]cc32)[C@H]1c1ccc(F)cc1 ZINC000587343676 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c[nH]cc32)[C@@H]1c1ccc(F)cc1 ZINC000587343678 EI Annotated Anodyne C[C@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344370 EI Annotated Anodyne C[C@@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344371 EI Annotated Anodyne C[C@@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344372 EI Annotated Anodyne C[C@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344373 EI Annotated Anodyne COC(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345100 EI Annotated Anodyne COC(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345102 EI Annotated Anodyne COC(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345104 EI Annotated Anodyne COC(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345106 EI Annotated Anodyne C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345407 EI Annotated Anodyne C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345410 EI Annotated Anodyne C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345413 EI Annotated Anodyne C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345418 EI Annotated Anodyne CC(C)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346635 EI Annotated Anodyne CC(C)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346637 EI Annotated Anodyne CC(C)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346638 EI Annotated Anodyne CC(C)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346640 EI Annotated Anodyne CCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348693 EI Annotated Anodyne CCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348696 EI Annotated Anodyne CCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348701 EI Annotated Anodyne CCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348705 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587348720 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587348725 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587348727 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587348728 EI Annotated Anodyne CCC(=O)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349500 EI Annotated Anodyne CCC(=O)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349504 EI Annotated Anodyne CCC(=O)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349507 EI Annotated Anodyne CCC(=O)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349512 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587350678 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587350689 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587350695 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587350698 EI Annotated Anodyne CCC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351517 EI Annotated Anodyne CCC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351522 EI Annotated Anodyne COCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351760 EI Annotated Anodyne COCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351761 EI Annotated Anodyne COCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351762 EI Annotated Anodyne COCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351763 EI Annotated Anodyne C[C@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351832 EI Annotated Anodyne C[C@@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351833 EI Annotated Anodyne C[C@@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351834 EI Annotated Anodyne C[C@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351836 EI Annotated Anodyne C#C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351986 EI Annotated Mild C#C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351997 EI Annotated Mild C#C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352001 EI Annotated Mild C#C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352007 EI Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3C=CC[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587353344 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C=CC[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587353351 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C=CC[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587353355 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C=CC[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587353358 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C=CC[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587353366 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3C=CC[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587353369 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3C=CC[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587353769 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3C=CC[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587353772 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587353774 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587353776 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587353777 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587353779 EI Annotated Anodyne C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353912 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353914 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353915 EI Annotated Anodyne C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353916 EI Annotated Anodyne C[C@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354110 EI Annotated Mild C[C@@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354112 EI Annotated Mild C[C@@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354113 EI Annotated Mild C[C@]1(CCCC=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354114 EI Annotated Mild CC1(C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354718 EI Annotated Anodyne CC1(C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354720 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3C[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587356178 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3C[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587356179 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587356180 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587356181 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587356182 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H]3C[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587356183 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H]3C[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587356184 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587356185 EI Annotated Anodyne CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357095 EI Annotated Anodyne CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357098 EI Annotated Anodyne CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357099 EI Annotated Anodyne CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357101 EI Annotated Anodyne O=C1c2ccc(O)cc2OC(C2CC2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587357128 EI Annotated Anodyne O=C1c2ccc(O)cc2OC(C2CC2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587357130 EI Annotated Anodyne CC1(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357532 EI Annotated Anodyne CC1(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357533 EI Annotated Anodyne CC1(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357534 EI Annotated Anodyne CC1(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357536 EI Annotated Anodyne C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357634 EI Annotated Anodyne C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357636 EI Annotated Anodyne C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357638 EI Annotated Anodyne C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357640 EI Annotated Anodyne C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357867 EI Annotated Anodyne C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357868 EI Annotated Anodyne C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357869 EI Annotated Anodyne C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357871 EI Annotated Anodyne CC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357945 EI Annotated Anodyne CC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357946 EI Annotated Anodyne CC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357947 EI Annotated Anodyne CC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357948 EI Annotated Anodyne CCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357949 EI Annotated Anodyne CCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357950 EI Annotated Anodyne CCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358329 EI Annotated Anodyne CCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358330 EI Annotated Anodyne CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587358469 EI Annotated Anodyne CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587358470 EI Annotated Anodyne CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587358473 EI Annotated Anodyne CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587358475 EI Annotated Anodyne C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358865 EI Annotated Anodyne C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358867 EI Annotated Anodyne C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358870 EI Annotated Anodyne C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358872 EI Annotated Anodyne CCOC(=O)Nc1snc(C)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587359144 EI Annotated Anodyne C[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359447 EI Annotated Anodyne C[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359451 EI Annotated Anodyne C[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359455 EI Annotated Anodyne C[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359456 EI Annotated Anodyne CCOC(=O)C(=C1SCS1)c1cc2c3c(cccc3n1)CC2 ZINC000587359713 EI Annotated Anodyne Brc1nc2c(s1)-c1nc3cccc4c3c(c1CC2)CC4 ZINC000587360889 EI Annotated Anodyne COc1cccc(-c2cc(C(=O)N(C)C)nc3c2oc2ccccc23)c1 ZINC000587361027 EI Annotated Anodyne CC(=O)C(=C1SCCCS1)c1cc2c3c(cccc3n1)CC2 ZINC000587361125 EI Annotated Mild O=C(O)Cc1c(-c2ccc(Cl)s2)nc2cccc3c2c1CC3 ZINC000587361538 EI Annotated Anodyne Cc1nc(-c2cnccn2)sc1-c1cc2c3c(cccc3n1)CC2 ZINC000587361728 EI Annotated Anodyne COC(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587361911 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CNCC3)c1 ZINC000587362091 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCNCC3)c1 ZINC000587362533 EI Annotated Anodyne COc1cccc(-c2c(C)c(C(N)=O)nc3c2oc2ccccc23)c1 ZINC000587362740 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](N)CC3)c1 ZINC000587363492 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](N)CC3)c1 ZINC000587363495 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(=O)O)c1 ZINC000587365010 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(=O)O)c1 ZINC000587365011 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C3)c1 ZINC000587365095 EI Annotated Anodyne COc1cccc(-c2c(CCO)c(C)nc3c2oc2ccccc23)c1 ZINC000587365283 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3CO)c1 ZINC000587366277 EI Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3CO)c1 ZINC000587366278 EI Annotated Anodyne COc1cccc(-c2cc(C(N)=S)nc3c2oc2ccccc23)c1 ZINC000587366498 EI Annotated Anodyne Cc1cc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)ccc1F ZINC000587367915 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ccccc4F)cc3)nc2n1 ZINC000587367924 EI Annotated Anodyne CC(C)c1cc2c(O)nc(O)nc2nc1-c1cccc(C(F)(F)F)c1 ZINC000587367983 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(-c4ccccc4Cl)c3)nc2n1 ZINC000587368181 EI Annotated Anodyne Cc1cc(Cl)c(C)c(-c2ccc3c(O)nc(O)nc3n2)c1Cl ZINC000587368296 EI Annotated Anodyne CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(C(F)(F)F)cc1 ZINC000587368304 EI Annotated Anodyne Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1F ZINC000587368338 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4Cl)o3)nc2n1 ZINC000587368360 EI Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(-c2ccccc2F)cc1 ZINC000587368472 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ccccc4)c(F)c3)nc2n1 ZINC000587368518 EI Annotated Anodyne Cc1cc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)ccc1F ZINC000587368527 EI Annotated Anodyne Cc1ccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1F ZINC000587368691 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4cccc(Cl)c4)cc3)nc2n1 ZINC000587368749 EI Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587368778 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Cl)c(Cl)c3Cl)nc2n1 ZINC000587368904 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Cl)cc4)cc3)nc2n1 ZINC000587369104 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(-c4ccc(Cl)cc4)c3)nc2n1 ZINC000587369130 EI Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H](Cl)CCCCCCCCC3 ZINC000587369248 EI Annotated Reactive Oc1nc(O)c2cc3c(nc2n1)[C@@H](Cl)CCCCCCCCC3 ZINC000587369249 EI Annotated Reactive CSCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369731 EI Annotated Anodyne CSCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369732 EI Annotated Anodyne CSCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369733 EI Annotated Anodyne CSCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369734 EI Annotated Anodyne CC[C@@]1(CSC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369888 EI Annotated Anodyne CC[C@]1(CSC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369889 EI Annotated Anodyne CC[C@@]1(CSC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369890 EI Annotated Anodyne CC[C@]1(CSC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369891 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1)O2 ZINC000587370238 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1)O2 ZINC000587370239 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCSC2)[C@H]1c1ccc(F)cc1 ZINC000587370363 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCSC2)[C@@H]1c1ccc(F)cc1 ZINC000587370366 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCSC2)[C@@H]1c1ccc(F)cc1 ZINC000587370367 EI Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCSC2)[C@H]1c1ccc(F)cc1 ZINC000587370369 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1)O2 ZINC000587370705 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1)O2 ZINC000587370707 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@@H](C)Cl)O2 ZINC000587370816 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@H](C)Cl)O2 ZINC000587370817 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@H](C)Cl)O2 ZINC000587370818 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@@H](C)Cl)O2 ZINC000587370819 EI Annotated Reactive Cc1ccc([C@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587370820 EI Annotated Reactive Cc1ccc([C@@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587370827 EI Annotated Reactive C[C@@H]1SCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587371392 EI Annotated Anodyne C[C@@H]1SCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587371393 EI Annotated Anodyne C[C@@H]1SCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587371394 EI Annotated Anodyne C[C@@H]1SCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587371395 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCC3)O2 ZINC000587371574 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCC3)O2 ZINC000587371575 EI Annotated Reactive CCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371893 EI Annotated Reactive CCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371895 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1Br)O2 ZINC000587371933 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1Br)O2 ZINC000587371934 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1Br)O2 ZINC000587371935 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1Br)O2 ZINC000587371936 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(Cl)Cl)O2 ZINC000587372066 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(Cl)Cl)O2 ZINC000587372091 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cccc3cc[nH]c13)O2 ZINC000587372339 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cccc3cc[nH]c13)O2 ZINC000587372342 EI Annotated Reactive COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587372782 EI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587372788 EI Annotated Anodyne Cc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587372908 EI Annotated Reactive Cc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587372909 EI Annotated Reactive CCOc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372924 EI Annotated Reactive CCOc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372926 EI Annotated Reactive COc1ccc([C@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372993 EI Annotated Reactive COc1ccc([C@@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372995 EI Annotated Reactive COc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373022 EI Annotated Reactive COc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373024 EI Annotated Reactive COc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373025 EI Annotated Reactive COc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373027 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)ccc1C)O2 ZINC000587373182 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)ccc1C)O2 ZINC000587373184 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)cc1Cl)O2 ZINC000587373317 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)cc1Cl)O2 ZINC000587373319 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](Cl)(C3)C2 ZINC000587373376 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](Cl)(C3)C2 ZINC000587373379 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc(Cl)c1Cl)O2 ZINC000587373405 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc(Cl)c1Cl)O2 ZINC000587373410 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(Cl)cc(C)c1O)O2 ZINC000587373506 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(Cl)cc(C)c1O)O2 ZINC000587373508 EI Annotated Anodyne CC[C@]1(c2ccc(Cl)c(N)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373531 EI Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(N)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373544 EI Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373548 EI Annotated Reactive Cc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373557 EI Annotated Reactive Cc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373559 EI Annotated Reactive Cc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373562 EI Annotated Reactive CCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587373589 EI Annotated Reactive CCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587373598 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1N(C)C)O2 ZINC000587373617 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1N(C)C)O2 ZINC000587373619 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cc(C)c(Cl)c1C)O2 ZINC000587374037 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cc(C)c(Cl)c1C)O2 ZINC000587374039 EI Annotated Anodyne COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374105 EI Annotated Anodyne COc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374106 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O)c(Cl)c1)O2 ZINC000587374125 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O)c(Cl)c1)O2 ZINC000587374126 EI Annotated Anodyne C[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374144 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000587374145 EI Annotated Bother C[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374146 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000587374147 EI Annotated Bother C[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374148 EI Annotated Anodyne C[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374150 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(Cl)c1Cl)O2 ZINC000587374165 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(Cl)c1Cl)O2 ZINC000587374166 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCCl)cc1)O2 ZINC000587374169 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCCl)cc1)O2 ZINC000587374177 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(C)c(C)c1)O2 ZINC000587374304 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(C)c(C)c1)O2 ZINC000587374305 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Cl)cc1)O2 ZINC000587374326 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Cl)cc1)O2 ZINC000587374327 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1)O2 ZINC000587374622 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1)O2 ZINC000587374630 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3ccccc13)O2 ZINC000587374678 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3ccccc13)O2 ZINC000587374683 EI Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374714 EI Annotated Anodyne COc1cc(C)c(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374719 EI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCSCC2)[C@H]1c1ccc(F)cc1 ZINC000587374737 EI Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCSCC2)[C@@H]1c1ccc(F)cc1 ZINC000587374739 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CCl)C3(C)C)O2 ZINC000587374828 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CCl)C3(C)C)O2 ZINC000587374833 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cccc(Cl)c1)O2 ZINC000587374878 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cccc(Cl)c1)O2 ZINC000587374881 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1C)O2 ZINC000587375015 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1C)O2 ZINC000587375016 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1ccc(Cl)c(Cl)c1)O2 ZINC000587375260 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1ccc(Cl)c(Cl)c1)O2 ZINC000587375261 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(O)c1Cl)O2 ZINC000587375399 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(O)c1Cl)O2 ZINC000587375400 EI Annotated Anodyne CCOc1c(Cl)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375405 EI Annotated Anodyne CCOc1c(Cl)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375406 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(C)c1)O2 ZINC000587375690 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(C)c1)O2 ZINC000587375693 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccc(O)cc1)O2 ZINC000587375740 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccc(O)cc1)O2 ZINC000587375745 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Cl)c1O)O2 ZINC000587375770 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Cl)c1O)O2 ZINC000587375771 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cc(Cl)cc1Cl)O2 ZINC000587375772 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cc(Cl)cc1Cl)O2 ZINC000587375773 EI Annotated Anodyne COc1c(C)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587375774 EI Annotated Anodyne COc1c(C)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587375775 EI Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O ZINC000587375789 EI Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O ZINC000587375790 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(Cl)cc1O)O2 ZINC000587375795 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(Cl)cc1O)O2 ZINC000587375796 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1Br)O2 ZINC000587375951 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1Br)O2 ZINC000587375952 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(CCCCl)(CCCCl)O2 ZINC000587376110 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1C)O2 ZINC000587376116 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1C)O2 ZINC000587376117 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587376137 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587376139 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Br)O2 ZINC000587376177 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Br)O2 ZINC000587376179 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)c(Br)c1)O2 ZINC000587376185 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)c(Br)c1)O2 ZINC000587376189 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CBr)cc1)O2 ZINC000587376200 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CBr)cc1)O2 ZINC000587376208 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cccc1Br)O2 ZINC000587376243 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cccc1Br)O2 ZINC000587376244 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN=[N+]=[N-])(c1ccc(Cl)cc1)O2 ZINC000587376451 EI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](CN=[N+]=[N-])(c1ccc(Cl)cc1)O2 ZINC000587376452 EI Annotated Clean COc1cc(Cl)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587376453 EI Annotated Anodyne COc1cc(Cl)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587376454 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CCl ZINC000587376709 EI Annotated Reactive COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CCl ZINC000587376712 EI Annotated Reactive COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CCl ZINC000587376839 EI Annotated Reactive COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CCl ZINC000587376844 EI Annotated Reactive CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376860 EI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376862 EI Annotated Anodyne COc1cccc(Cl)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376881 EI Annotated Anodyne COc1cccc(Cl)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376882 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(O)cc1Cl)O2 ZINC000587376896 EI Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376965 EI Annotated Anodyne COc1ccc(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376966 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587377018 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587377020 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587377022 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587377024 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(O)cc1Cl)O2 ZINC000587377174 EI Annotated Anodyne CC[C@]1([C@@H](C)S)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377212 EI Annotated Mild CC[C@]1([C@H](C)S)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377216 EI Annotated Mild CC[C@]1([C@H](C)S)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377219 EI Annotated Mild CC[C@]1([C@@H](C)S)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377222 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])cc1Cl)O2 ZINC000587377234 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])cc1Cl)O2 ZINC000587377236 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CCCl)cc1)O2 ZINC000587377269 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CCCl)cc1)O2 ZINC000587377272 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O)cc1Cl)O2 ZINC000587377280 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O)cc1Cl)O2 ZINC000587377281 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Cl)cc1Cl)O2 ZINC000587377379 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Cl)cc1Cl)O2 ZINC000587377380 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)cccc1[N+](=O)[O-])O2 ZINC000587377578 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)cccc1[N+](=O)[O-])O2 ZINC000587377581 EI Annotated Bother Cc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377603 EI Annotated Anodyne Cc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377605 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1C)O2 ZINC000587377833 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1C)O2 ZINC000587377835 EI Annotated Anodyne Cc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587377948 EI Annotated Anodyne Cc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587377950 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccc(Cl)c3n1)O2 ZINC000587378129 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccc(Cl)c3n1)O2 ZINC000587378130 EI Annotated Anodyne CC[C@@H](C)n1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378171 EI Annotated Anodyne CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378172 EI Annotated Anodyne CC[C@@H](C)n1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378173 EI Annotated Anodyne CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378174 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Cl)c(Cl)c1)O2 ZINC000587378211 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Cl)c(Cl)c1)O2 ZINC000587378224 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(Cl)ccc31)O2 ZINC000587378225 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc(Cl)ccc31)O2 ZINC000587378227 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3ccccc3c1Cl)O2 ZINC000587378258 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3ccccc3c1Cl)O2 ZINC000587378268 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc(Cl)c1)O2 ZINC000587378273 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc(Cl)c1)O2 ZINC000587378275 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Cl)cc2C[C@@H]1C ZINC000587378280 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Cl)cc2C[C@H]1C ZINC000587378285 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(Cl)cc2C[C@@H]1C ZINC000587378287 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(Cl)cc2C[C@H]1C ZINC000587378288 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(Cl)ccc3n1)O2 ZINC000587378348 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(Cl)ccc3n1)O2 ZINC000587378349 EI Annotated Anodyne COc1ccc2c(c1Cl)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378431 EI Annotated Anodyne COc1ccc2c(c1Cl)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378434 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(Cl)cccc13)O2 ZINC000587378437 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(Cl)cccc13)O2 ZINC000587378438 EI Annotated Anodyne CCCCn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl ZINC000587378445 EI Annotated Anodyne CCCCn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl ZINC000587378452 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccc(Cl)cc3n1)O2 ZINC000587378574 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccc(Cl)cc3n1)O2 ZINC000587378575 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1Br)O2 ZINC000587378623 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3[nH]cc(Cl)c13)O2 ZINC000587378624 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1Br)O2 ZINC000587378625 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3[nH]cc(Cl)c13)O2 ZINC000587378626 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)ccnc1Cl)O2 ZINC000587378685 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)ccnc1Cl)O2 ZINC000587378687 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)O2 ZINC000587378742 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)O2 ZINC000587378745 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccc(Cl)cc13)O2 ZINC000587378866 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccc(Cl)cc13)O2 ZINC000587378867 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(Cl)cc3[nH]1)O2 ZINC000587378920 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(Cl)cc3[nH]1)O2 ZINC000587378921 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CBr)c1)O2 ZINC000587378951 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CBr)c1)O2 ZINC000587378952 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)c1)O2 ZINC000587378961 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)c1)O2 ZINC000587378962 EI Annotated Anodyne CCCCc1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)[nH]1 ZINC000587379049 EI Annotated Anodyne CCCCc1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)[nH]1 ZINC000587379052 EI Annotated Anodyne CCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379097 EI Annotated Anodyne CCOc1ccc(Cl)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379098 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)c1ccccc1Cl)O2 ZINC000587379105 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)c1ccccc1Cl)O2 ZINC000587379106 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)c1ccccc1Cl)O2 ZINC000587379107 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)c1ccccc1Cl)O2 ZINC000587379108 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3ccncc13)O2 ZINC000587379126 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc3ccncc13)O2 ZINC000587379127 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc(Cl)c13)O2 ZINC000587379141 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc(Cl)c13)O2 ZINC000587379142 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)ccc1[N+](=O)[O-])O2 ZINC000587379161 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)ccc1[N+](=O)[O-])O2 ZINC000587379162 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c3cccnc13)O2 ZINC000587379273 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c3cccnc13)O2 ZINC000587379275 EI Annotated Anodyne COc1cc2c(cc1Cl)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379277 EI Annotated Anodyne COc1cc2c(cc1Cl)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379278 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)n(C)c3ccccc13)O2 ZINC000587379306 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)n(C)c3ccccc13)O2 ZINC000587379307 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccccc1Cl)O2 ZINC000587379377 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(C)cc(Cl)cc31)O2 ZINC000587379378 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccccc1Cl)O2 ZINC000587379379 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(C)cc(Cl)cc31)O2 ZINC000587379381 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC#N)(c1ccc(Cl)cc1)O2 ZINC000587379386 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CCC#N)(c1ccc(Cl)cc1)O2 ZINC000587379389 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(Cl)cc1)O2 ZINC000587379395 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(Cl)cc1)O2 ZINC000587379397 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(Cl)cc31)O2 ZINC000587379457 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(Cl)cc31)O2 ZINC000587379459 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Cl)ccc3C1)O2 ZINC000587379537 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Cl)ccc3C1)O2 ZINC000587379542 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Cl)ccc13)O2 ZINC000587379590 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Cl)ccc13)O2 ZINC000587379593 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cnc(Cl)cc3c1)O2 ZINC000587379643 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cnc(Cl)cc3c1)O2 ZINC000587379644 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3cccnc13)O2 ZINC000587379739 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc3cccnc13)O2 ZINC000587379742 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cc(Cl)ccc31)O2 ZINC000587379838 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cc(Cl)ccc31)O2 ZINC000587379850 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587379866 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587379867 EI Annotated Bother CCCCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379868 EI Annotated Anodyne CCCCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379870 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3cccnc13)O2 ZINC000587379884 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3cccnc13)O2 ZINC000587379885 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Cl)ccc3[nH]1)O2 ZINC000587379912 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Cl)ccc3[nH]1)O2 ZINC000587379913 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(Cl)cc31)O2 ZINC000587379920 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(Cl)cc31)O2 ZINC000587379921 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cccc(Cl)c3C1)O2 ZINC000587379996 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cccc(Cl)c3C1)O2 ZINC000587379997 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(Cl)ncc3c1)O2 ZINC000587380016 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(Cl)ncc3c1)O2 ZINC000587380017 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2C[C@@H]1C ZINC000587380020 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2C[C@H]1C ZINC000587380021 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2C[C@@H]1C ZINC000587380022 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2C[C@H]1C ZINC000587380023 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(Cl)cc3C1)O2 ZINC000587380051 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(Cl)cc3C1)O2 ZINC000587380052 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCNc3cc(Cl)ccc31)O2 ZINC000587380056 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCNc3cc(Cl)ccc31)O2 ZINC000587380057 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cccc(Cl)c31)O2 ZINC000587380065 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cccc(Cl)c31)O2 ZINC000587380066 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Cl)cnc3o1)O2 ZINC000587380156 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Cl)cnc3o1)O2 ZINC000587380164 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(C(F)(F)F)c1)O2 ZINC000587380204 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(C(F)(F)F)c1)O2 ZINC000587380205 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(Cl)cccc31)O2 ZINC000587380211 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(Cl)cccc31)O2 ZINC000587380212 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)ccc(C)c31)O2 ZINC000587380229 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)ccc(C)c31)O2 ZINC000587380230 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Cl)ccc3n1C)O2 ZINC000587380251 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Cl)ccc3n1C)O2 ZINC000587380252 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(F)(F)F)c1O)O2 ZINC000587380282 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(F)(F)F)c1O)O2 ZINC000587380283 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Cl)cc1Cl)O2 ZINC000587380320 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Cl)cc1Cl)O2 ZINC000587380322 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc3ccc(Cl)cc13)O2 ZINC000587380323 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc3ccc(Cl)cc13)O2 ZINC000587380325 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)cc1C(F)(F)F)O2 ZINC000587380330 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1C(F)(F)F)O2 ZINC000587380331 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(CC(C)C)c1Cl)O2 ZINC000587380336 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(CC(C)C)c1Cl)O2 ZINC000587380344 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1C(F)(F)F)O2 ZINC000587380405 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3cc(C)c(Cl)cc31)O2 ZINC000587380408 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1C(F)(F)F)O2 ZINC000587380409 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3cc(C)c(Cl)cc31)O2 ZINC000587380411 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(Cl)cccc31)O2 ZINC000587380438 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c(Cl)cccc31)O2 ZINC000587380439 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3nc1Cl)O2 ZINC000587380445 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3nc1Cl)O2 ZINC000587380446 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncc3ccccc13)O2 ZINC000587380460 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncc3ccccc13)O2 ZINC000587380462 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(Cl)nccc3c1)O2 ZINC000587380502 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(Cl)nccc3c1)O2 ZINC000587380505 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCNc3ccc(Cl)cc31)O2 ZINC000587380535 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCNc3ccc(Cl)cc31)O2 ZINC000587380538 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1N1CCCC1)O2 ZINC000587380544 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)cnc1Cl)O2 ZINC000587380547 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)cnc1Cl)O2 ZINC000587380548 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1N1CCCC1)O2 ZINC000587380549 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)ccc(Cl)c1F)O2 ZINC000587380698 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)ccc(Cl)c1F)O2 ZINC000587380700 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(Cl)cc1F)O2 ZINC000587380702 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(Cl)cc1F)O2 ZINC000587380704 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OCC3CC3)c1)O2 ZINC000587380709 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OCC3CC3)c1)O2 ZINC000587380711 EI Annotated Anodyne COc1ccc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587380716 EI Annotated Anodyne COc1ccc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587380718 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(F)c1)O2 ZINC000587380776 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(F)c1)O2 ZINC000587380777 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccnc(Cl)c3c1)O2 ZINC000587380906 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccnc(Cl)c3c1)O2 ZINC000587380908 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)nc1Cl)O2 ZINC000587380971 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)nc1Cl)O2 ZINC000587380973 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)[nH]c3cccc(Cl)c13)O2 ZINC000587380977 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)[nH]c3cccc(Cl)c13)O2 ZINC000587380979 EI Annotated Anodyne CC[C@]1(c2c(F)cc(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381022 EI Annotated Anodyne CC[C@@]1(c2c(F)cc(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381023 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)C(F)(F)F)cc1)O2 ZINC000587381121 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)C(F)(F)F)cc1)O2 ZINC000587381122 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(C(F)(F)F)c1)O2 ZINC000587381129 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(C(F)(F)F)c1)O2 ZINC000587381130 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1C(F)(F)F)O2 ZINC000587381141 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1C(F)(F)F)O2 ZINC000587381142 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1F)O2 ZINC000587381143 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1F)O2 ZINC000587381144 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(F)F)cc1)O2 ZINC000587381160 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(F)F)cc1)O2 ZINC000587381162 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1OC(F)F)O2 ZINC000587381232 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1OC(F)F)O2 ZINC000587381233 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1OC(F)F)O2 ZINC000587381234 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1OC(F)F)O2 ZINC000587381235 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(F)cc1Cl)O2 ZINC000587381326 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(F)cc1Cl)O2 ZINC000587381328 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(C(C)C)O2 ZINC000587381343 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(C(C)C)O2 ZINC000587381344 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1F)O2 ZINC000587381452 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1F)O2 ZINC000587381453 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(F)(F)F)O2 ZINC000587381516 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(F)(F)F)O2 ZINC000587381517 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C)c1OC(F)F)O2 ZINC000587381543 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C)c1OC(F)F)O2 ZINC000587381550 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(F)c(C)c1)O2 ZINC000587381595 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(F)c(C)c1)O2 ZINC000587381598 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(C(F)(F)F)c1)O2 ZINC000587381718 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(C(F)(F)F)c1)O2 ZINC000587381719 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1O)O2 ZINC000587381736 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1O)O2 ZINC000587381737 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1C(F)(F)F)O2 ZINC000587381751 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1C(F)(F)F)O2 ZINC000587381752 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(F)(F)F)c1F)O2 ZINC000587381763 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(F)(F)F)c1F)O2 ZINC000587381764 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(F)c(Cl)c1)O2 ZINC000587381791 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(F)c(Cl)c1)O2 ZINC000587381792 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(C)c1)(C1CC1)O2 ZINC000587381807 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)ccc1OC(F)F)O2 ZINC000587381808 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)ccc1OC(F)F)O2 ZINC000587381809 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(C)c1)(C1CC1)O2 ZINC000587381811 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(C(F)(F)F)ccc31)O2 ZINC000587381828 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(C(F)(F)F)ccc31)O2 ZINC000587381836 EI Annotated Anodyne CC[C@@]1(c2cc(F)c(OC)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381897 EI Annotated Anodyne CC[C@]1(c2cc(F)c(OC)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381898 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)cc1F)O2 ZINC000587381936 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)cc1F)O2 ZINC000587381937 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1OC(F)F)O2 ZINC000587381962 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1OC(F)F)O2 ZINC000587381963 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)F)c1)O2 ZINC000587381967 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(F)(F)F)c1)O2 ZINC000587381968 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)O2 ZINC000587381994 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)O2 ZINC000587381996 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)c(F)c1)O2 ZINC000587382003 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)c(F)c1)O2 ZINC000587382004 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1c(F)cccc1Cl)O2 ZINC000587382075 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1c(F)cccc1Cl)O2 ZINC000587382076 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(C(F)(F)F)c1)O2 ZINC000587382086 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(C(F)(F)F)c1)O2 ZINC000587382088 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(F)cccc1F)O2 ZINC000587382173 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(F)cccc1F)O2 ZINC000587382174 EI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C(F)F ZINC000587382197 EI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C(F)F ZINC000587382198 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C(F)(F)F)c(C)s1)O2 ZINC000587382241 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C(F)(F)F)c(C)s1)O2 ZINC000587382242 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC(F)F)c1)O2 ZINC000587382243 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC(F)F)c1)O2 ZINC000587382244 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCC(C(F)(F)F)CC1)O2 ZINC000587382265 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCC(C(F)(F)F)CC1)O2 ZINC000587382276 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCCF)cc1)O2 ZINC000587382285 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCCF)cc1)O2 ZINC000587382287 EI Annotated Anodyne CC[C@]1(c2cc(F)c(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382347 EI Annotated Anodyne CC[C@@]1(c2cc(F)c(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382349 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(F)c(Cl)c1F)O2 ZINC000587382364 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(F)c(Cl)c1F)O2 ZINC000587382365 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cc(Cl)cc1F)O2 ZINC000587382366 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587382368 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cc(Cl)cc1F)O2 ZINC000587382369 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587382370 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3ccccc13)O2 ZINC000587382460 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3ccccc13)O2 ZINC000587382461 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(F)ccc1F)(C(C)C)O2 ZINC000587382477 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(F)ccc1F)(C(C)C)O2 ZINC000587382478 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)s1)O2 ZINC000587382522 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)s1)O2 ZINC000587382523 EI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1Cl ZINC000587382635 EI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1Cl ZINC000587382637 EI Annotated Anodyne COc1cc(Cl)cc(F)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382647 EI Annotated Anodyne COc1cc(Cl)cc(F)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382649 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(C(F)(F)F)cccc31)O2 ZINC000587382696 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(C(F)(F)F)cccc31)O2 ZINC000587382698 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1C(F)(F)F)O2 ZINC000587382736 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1C(F)(F)F)O2 ZINC000587382738 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(N3CCCC3)c1)O2 ZINC000587382743 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(N3CCCC3)c1)O2 ZINC000587382744 EI Annotated Anodyne CC[C@@]1(c2ccccc2OC(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382829 EI Annotated Anodyne CC[C@]1(c2ccccc2OC(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382833 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1C(F)(F)F)O2 ZINC000587382837 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1C(F)(F)F)O2 ZINC000587382839 EI Annotated Anodyne CC[C@]1(c2c(F)ccc(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382859 EI Annotated Anodyne CC[C@@]1(c2c(F)ccc(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382860 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCF)cc1)O2 ZINC000587382888 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCF)cc1)O2 ZINC000587382890 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(C(F)(F)F)cc31)O2 ZINC000587382903 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(C(F)(F)F)cc31)O2 ZINC000587382904 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)c(C)c1)O2 ZINC000587382990 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)c(C)c1)O2 ZINC000587382995 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC3CCC3)c1)O2 ZINC000587383022 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC3CCC3)c1)O2 ZINC000587383025 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(F)c(F)c1F)O2 ZINC000587383041 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(F)c(F)c1F)O2 ZINC000587383048 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)nc1C)O2 ZINC000587383247 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)nc1C)O2 ZINC000587383254 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(C)c1)O2 ZINC000587383270 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(C)c1)O2 ZINC000587383272 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(F)c3)nc1)O2 ZINC000587383356 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(F)c3)nc1)O2 ZINC000587383360 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)(c3ccc(F)cc3)C1)O2 ZINC000587383392 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C#N)(c1cccc(F)c1)O2 ZINC000587383405 EI Annotated Mild CC[C@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383407 EI Annotated Anodyne CC[C@@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383408 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C#N)(c1cccc(F)c1)O2 ZINC000587383416 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C#N)(c1cccc(F)c1)O2 ZINC000587383418 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C#N)(c1cccc(F)c1)O2 ZINC000587383420 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(C(F)(F)F)c1)O2 ZINC000587383423 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(C(F)(F)F)c1)O2 ZINC000587383425 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCC[C@@H](C(F)(F)F)C1)O2 ZINC000587383534 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCC[C@H](C(F)(F)F)C1)O2 ZINC000587383535 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCC[C@@H](C(F)(F)F)C1)O2 ZINC000587383536 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCC[C@H](C(F)(F)F)C1)O2 ZINC000587383537 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](Cl)CCCCC[C@@H]1Cl ZINC000587383630 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H](Cl)CCCCC[C@H]1Cl ZINC000587383636 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Cl)CCCCC[C@H]1Cl ZINC000587383638 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](C)Cl)O2 ZINC000587383761 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](C)Cl)O2 ZINC000587383762 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H](C)Cl)O2 ZINC000587383763 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@@H](C)Cl)O2 ZINC000587383764 EI Annotated Reactive CC[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383804 EI Annotated Anodyne CC[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383805 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C1CCC(F)(F)CC1)O2 ZINC000587383895 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C1CCC(F)(F)CC1)O2 ZINC000587383898 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CSC(F)F)o1)O2 ZINC000587383913 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CSC(F)F)o1)O2 ZINC000587383915 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccccc1F)O2 ZINC000587384135 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccccc1F)O2 ZINC000587384136 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(F)F)c1)O2 ZINC000587384304 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(F)F)c1)O2 ZINC000587384305 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](c3ccc(F)cc3)C1)O2 ZINC000587384312 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](c3ccc(F)cc3)C1)O2 ZINC000587384313 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](c3ccc(F)cc3)C1)O2 ZINC000587384314 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](c3ccc(F)cc3)C1)O2 ZINC000587384315 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cc(F)ccc3o1)O2 ZINC000587384324 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cc(F)ccc3o1)O2 ZINC000587384325 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3cc(F)c(F)cc31)O2 ZINC000587384346 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3cc(F)c(F)cc31)O2 ZINC000587384347 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccc(F)cc1)O2 ZINC000587384392 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccc(F)cc1)O2 ZINC000587384393 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1OCC1CC1)O2 ZINC000587384433 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1OCC1CC1)O2 ZINC000587384434 EI Annotated Anodyne COCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384506 EI Annotated Anodyne COCCC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384507 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(F)cc1)O2 ZINC000587384534 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(F)cc1)O2 ZINC000587384535 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Cl)c1ccc(F)cc1)O2 ZINC000587384555 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Cl)c1ccc(F)cc1)O2 ZINC000587384556 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Cl)c1ccc(F)cc1)O2 ZINC000587384557 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Cl)c1ccc(F)cc1)O2 ZINC000587384558 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cc(F)ccc3s1)O2 ZINC000587384568 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cc(F)ccc3s1)O2 ZINC000587384569 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccccn1)O2 ZINC000587384580 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccccn1)O2 ZINC000587384581 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccc(F)c3)no1)O2 ZINC000587384592 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccc(F)c3)no1)O2 ZINC000587384593 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)c(F)c1)O2 ZINC000587384611 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)c(F)c1)O2 ZINC000587384612 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C#N)(c1ccccc1F)O2 ZINC000587384631 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C#N)(c1ccccc1F)O2 ZINC000587384632 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C#N)(c1ccccc1F)O2 ZINC000587384633 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C#N)(c1ccccc1F)O2 ZINC000587384634 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1OCC1CC1)O2 ZINC000587384678 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1OCC1CC1)O2 ZINC000587384679 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1F)(C(C)C)O2 ZINC000587384682 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1F)(C(C)C)O2 ZINC000587384683 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1F)O2 ZINC000587384690 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1F)O2 ZINC000587384691 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1-c1ccc(F)cc1)O2 ZINC000587384706 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1-c1ccc(F)cc1)O2 ZINC000587384707 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(C(C)C)O2 ZINC000587384753 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(C(C)C)O2 ZINC000587384754 EI Annotated Anodyne CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587384792 EI Annotated Anodyne CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587384795 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(-c3ccccc3F)c1)O2 ZINC000587384876 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(-c3ccccc3F)c1)O2 ZINC000587384877 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCc3ccc(F)cc31)O2 ZINC000587384989 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCc3ccc(F)cc31)O2 ZINC000587384991 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3ccc(F)cc31)O2 ZINC000587384993 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3ccc(F)cc31)O2 ZINC000587384997 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(C)(C)c1ccc(F)cc1)O2 ZINC000587385064 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(C)(C)c1ccc(F)cc1)O2 ZINC000587385073 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@@H]1c1ccc(F)cc1)O2 ZINC000587385083 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C[C@H]1c1ccc(F)cc1)O2 ZINC000587385087 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C[C@@H]1c1ccc(F)cc1)O2 ZINC000587385090 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@H]1c1ccc(F)cc1)O2 ZINC000587385096 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(F)cc3)on1)O2 ZINC000587385121 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(F)cc3)on1)O2 ZINC000587385124 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(F)cc3)n1)O2 ZINC000587385319 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(F)cc3)n1)O2 ZINC000587385320 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3c(F)cccc31)O2 ZINC000587385399 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3c(F)cccc31)O2 ZINC000587385401 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccncc3)cc1F)O2 ZINC000587385405 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccncc3)cc1F)O2 ZINC000587385407 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Cl)cc(F)cc31)O2 ZINC000587385466 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Cl)cc(F)cc31)O2 ZINC000587385476 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3cc(F)ccc31)O2 ZINC000587385506 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3cc(F)ccc31)O2 ZINC000587385511 EI Annotated Anodyne Cc1ccc([C@]2(CCCC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385596 EI Annotated Mild Cc1ccc([C@@]2(CCCC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385606 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cccc(F)c3o1)O2 ZINC000587385681 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cccc(F)c3o1)O2 ZINC000587385682 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1N(C)C1CC1)O2 ZINC000587385775 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1N(C)C1CC1)O2 ZINC000587385778 EI Annotated Anodyne CSc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587385786 EI Annotated Anodyne CSc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587385791 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(F)c(C)c3n1C)O2 ZINC000587385819 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1ccc(F)cc31)O2 ZINC000587385830 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(F)c(C)c3n1C)O2 ZINC000587385832 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1ccc(F)cc31)O2 ZINC000587385835 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1F)(C1CC1)O2 ZINC000587385974 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1ccccn1)O2 ZINC000587386044 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1F)(C1CC1)O2 ZINC000587386131 EI Annotated Anodyne Cc1cccc([C@]2(C[C@H](C)C#N)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386137 EI Annotated Mild Cc1cccc([C@@]2(C[C@@H](C)C#N)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386138 EI Annotated Mild Cc1cccc([C@]2(C[C@@H](C)C#N)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386139 EI Annotated Mild Cc1cccc([C@@]2(C[C@H](C)C#N)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386141 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3F)no1)O2 ZINC000587386186 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3F)no1)O2 ZINC000587386188 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(F)c2CC[C@@H]1C ZINC000587386192 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(F)c2CC[C@H]1C ZINC000587386195 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(F)c2CC[C@H]1C ZINC000587386197 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(F)c2CC[C@@H]1C ZINC000587386199 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C#N)c3)o1)O2 ZINC000587386205 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C#N)c3)o1)O2 ZINC000587386208 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(F)c(F)c1)O2 ZINC000587386218 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(F)c(F)c1)O2 ZINC000587386219 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1ccccn1)O2 ZINC000587386234 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ncccc3F)o1)O2 ZINC000587386246 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ncccc3F)o1)O2 ZINC000587386248 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(F)cc1)O2 ZINC000587386425 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(F)cc1)O2 ZINC000587386426 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccc(F)cc3s1)O2 ZINC000587386429 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccc(F)cc3s1)O2 ZINC000587386430 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccco1)O2 ZINC000587386440 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccco1)O2 ZINC000587386442 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1c1ccc(F)cc1)O2 ZINC000587386444 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1c1ccc(F)cc1)O2 ZINC000587386446 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1c1ccc(F)cc1)O2 ZINC000587386448 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1c1ccc(F)cc1)O2 ZINC000587386450 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(F)c1)O2 ZINC000587386539 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(F)c1)O2 ZINC000587386540 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1oc3ccc(F)cc3c1C)O2 ZINC000587386549 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1oc3ccc(F)cc3c1C)O2 ZINC000587386550 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccnc1)O2 ZINC000587386559 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccnc1)O2 ZINC000587386560 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(F)cn1)O2 ZINC000587386651 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(F)cn1)O2 ZINC000587386653 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(F)cc1Cl)O2 ZINC000587386685 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(F)cc1Cl)O2 ZINC000587386686 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(C3CC3)c1F)O2 ZINC000587386697 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(C3CC3)c1F)O2 ZINC000587386698 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCc3cc(C#N)ccc31)O2 ZINC000587386954 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCc3cc(C#N)ccc31)O2 ZINC000587386956 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(Cl)cc1F)O2 ZINC000587386959 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(Cl)cc1F)O2 ZINC000587386960 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)([C@@H](C)CC#N)O2 ZINC000587387029 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)([C@@H](C)CC#N)O2 ZINC000587387031 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)([C@H](C)CC#N)O2 ZINC000587387032 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)([C@H](C)CC#N)O2 ZINC000587387034 EI Annotated Mild CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587387090 EI Annotated Clean CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587387091 EI Annotated Clean Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C#N)(c3ccccc3)CC1)O2 ZINC000587387274 EI Annotated Mild CCCc1ccc([C@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587387393 EI Annotated Mild CCCc1ccc([C@@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587387394 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(F)ccc(Cl)c31)O2 ZINC000587387513 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(F)ccc(Cl)c31)O2 ZINC000587387514 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@](C)(CCC#N)c1ccccc1)O2 ZINC000587387535 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@](C)(CCC#N)c1ccccc1)O2 ZINC000587387536 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@](C)(CCC#N)c1ccccc1)O2 ZINC000587387537 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@](C)(CCC#N)c1ccccc1)O2 ZINC000587387538 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc3ccccc3o1)O2 ZINC000587387743 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc3ccccc3o1)O2 ZINC000587387744 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc3c(c1)CCCC3)O2 ZINC000587388002 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc3c(c1)CCCC3)O2 ZINC000587388003 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3c(F)ccc(F)c31)O2 ZINC000587388024 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3c(F)ccc(F)c31)O2 ZINC000587388025 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3C#N)o1)O2 ZINC000587388038 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3C#N)o1)O2 ZINC000587388039 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cccc(N)c21 ZINC000587388524 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cccc(N)c21 ZINC000587388525 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1N)O2 ZINC000587388530 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1N)O2 ZINC000587388531 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N)cc1)O2 ZINC000587388538 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N)cc1)O2 ZINC000587388539 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(N)c1)O2 ZINC000587388615 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(N)c1)O2 ZINC000587388616 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccccc3c1[N+](=O)[O-])O2 ZINC000587388655 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccccc3c1[N+](=O)[O-])O2 ZINC000587388656 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(N)cc3)o1)O2 ZINC000587388743 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(N)cc3)o1)O2 ZINC000587388745 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2c(N)cccc21 ZINC000587388832 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2c(N)cccc21 ZINC000587388834 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(-c3ccccc3C)c1)O2 ZINC000587388858 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(-c3ccccc3C)c1)O2 ZINC000587388900 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-n3cccc3)c1)O2 ZINC000587388936 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-n3cccc3)c1)O2 ZINC000587388937 EI Annotated Anodyne CC(=O)n1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587388956 EI Annotated Anodyne CC(=O)n1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587388959 EI Annotated Anodyne Cc1cccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388996 EI Annotated Anodyne Cc1cccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388997 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)n(C)c3ccccc13)O2 ZINC000587389101 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)n(C)c3ccccc13)O2 ZINC000587389104 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)O2 ZINC000587389213 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)O2 ZINC000587389216 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1Nc1ccccc1)O2 ZINC000587389239 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1Nc1ccccc1)O2 ZINC000587389243 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1Nc1ccccc1)O2 ZINC000587389244 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1Nc1ccccc1)O2 ZINC000587389245 EI Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389364 EI Annotated Anodyne COc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389366 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-n3nc(C)cc3C)c1)O2 ZINC000587389411 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-n3nc(C)cc3C)c1)O2 ZINC000587389414 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1N)(C1CCCC1)O2 ZINC000587389486 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1N)(C1CCCC1)O2 ZINC000587389489 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1C(C)C)O2 ZINC000587389744 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1C(C)C)O2 ZINC000587389745 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1n(C)c1ccccc31)O2 ZINC000587389879 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1n(C)c1ccccc31)O2 ZINC000587389881 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(CC(C)C)c1C)O2 ZINC000587390027 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(CC(C)C)c1C)O2 ZINC000587390032 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cc(C)cc1-n1cccn1)O2 ZINC000587390068 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(C)cc1-n1cccn1)O2 ZINC000587390205 EI Annotated Anodyne COc1cccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587390347 EI Annotated Anodyne COc1cccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587390349 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(Cc3ccccc3)c1)O2 ZINC000587390416 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(Cc3ccccc3)c1)O2 ZINC000587390421 EI Annotated Anodyne CCC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390519 EI Annotated Bother CCC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390523 EI Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(C)c1-n1cccn1)O2 ZINC000587390783 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(C)c1-n1cccn1)O2 ZINC000587390784 EI Annotated Anodyne CCCCC[C@@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391081 EI Annotated Anodyne CCCCC[C@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391084 EI Annotated Anodyne CCCn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 ZINC000587391089 EI Annotated Anodyne CCCn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 ZINC000587391091 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(N)cc21 ZINC000587391130 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(N)cc21 ZINC000587391133 EI Annotated Anodyne C=CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587391163 EI Annotated Mild C=CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587391169 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3nc(C)cc3C)cc1)O2 ZINC000587391221 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3nc(C)cc3C)cc1)O2 ZINC000587391223 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1C)O2 ZINC000587391488 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1C)O2 ZINC000587391492 EI Annotated Anodyne CCn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587391494 EI Annotated Anodyne CCn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587391496 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)c3ccccc13)O2 ZINC000587391553 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)c3ccccc13)O2 ZINC000587391556 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cccc3)cc1)O2 ZINC000587391650 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cccc3)cc1)O2 ZINC000587391651 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1c1ccccc1n3C)O2 ZINC000587391670 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1c1ccccc1n3C)O2 ZINC000587391673 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccnc3)c1C)O2 ZINC000587391783 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccnc3)c1C)O2 ZINC000587391784 EI Annotated Anodyne CCCCn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 ZINC000587391870 EI Annotated Anodyne CCCCn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 ZINC000587391879 EI Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391970 EI Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391973 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C)c3cc(C)ccc13)O2 ZINC000587391993 EI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C)c3cc(C)ccc13)O2 ZINC000587392011 EI Annotated Clean C#CCn1c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587392013 EI Annotated Mild C#CCn1c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587392016 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(C)c(C)c3)c1)O2 ZINC000587392103 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(C)c(C)c3)c1)O2 ZINC000587392106 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1C)O2 ZINC000587392229 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1C)O2 ZINC000587392230 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(C)c3ccc(C)cc13)O2 ZINC000587392268 EI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(C)c3ccc(C)cc13)O2 ZINC000587392269 EI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cc(N)ccc21 ZINC000587392329 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cc(N)ccc21 ZINC000587392333 EI Annotated Anodyne COc1ccccc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392394 EI Annotated Anodyne COc1ccccc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392395 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccc1)O2 ZINC000587392400 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccccc1)O2 ZINC000587392402 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCC3)cc1)O2 ZINC000587392728 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCC3)cc1)O2 ZINC000587392729 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(CC3CCCCC3)n1)O2 ZINC000587392909 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(CC3CCCCC3)n1)O2 ZINC000587392910 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1C1CCCCC1)O2 ZINC000587392917 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1C1CCCCC1)O2 ZINC000587392918 EI Annotated Anodyne Cc1cccc([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393161 EI Annotated Anodyne Cc1cccc([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393176 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(C)(C)C)nc1C(C)C)O2 ZINC000587393184 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(C)(C)C)nc1C(C)C)O2 ZINC000587393185 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccccn3)c1)O2 ZINC000587393252 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccccn3)c1)O2 ZINC000587393253 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3C)nc1)O2 ZINC000587393274 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3C)nc1)O2 ZINC000587393275 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C(C)C)n3ccccc13)O2 ZINC000587393474 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C(C)C)n3ccccc13)O2 ZINC000587393475 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(C1CCCCC1)O2 ZINC000587393559 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(C1CCCCC1)O2 ZINC000587393562 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccn3)cc1)O2 ZINC000587393563 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccn3)cc1)O2 ZINC000587393564 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccnc3O)c1)O2 ZINC000587393699 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccnc3O)c1)O2 ZINC000587393700 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccccn3)c1)O2 ZINC000587393727 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccccn3)c1)O2 ZINC000587393728 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3)nc1C)O2 ZINC000587393733 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3)nc1C)O2 ZINC000587393734 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C3CCCCC3)nc1)O2 ZINC000587393764 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C3CCCCC3)nc1)O2 ZINC000587393765 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)cn1)O2 ZINC000587393788 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3)cn1)O2 ZINC000587393789 EI Annotated Anodyne Cc1ccc(-c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)no2)cc1 ZINC000587393864 EI Annotated Anodyne Cc1ccc(-c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)no2)cc1 ZINC000587393865 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C)cc(C)c3nc1O)O2 ZINC000587393866 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C)cc(C)c3nc1O)O2 ZINC000587393867 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(C)c(C)cc3n1)O2 ZINC000587393957 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(C)c(C)cc3n1)O2 ZINC000587393959 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1cccnc1)O2 ZINC000587393967 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1cccnc1)O2 ZINC000587393969 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(-c3ccccc3)oc1C)O2 ZINC000587394011 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(-c3ccccc3)oc1C)O2 ZINC000587394012 EI Annotated Anodyne Cc1ccc([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587394031 EI Annotated Anodyne Cc1ccc([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587394032 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccccn1)O2 ZINC000587394065 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccccn1)O2 ZINC000587394066 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccnc3)cc1)O2 ZINC000587394089 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccnc3)cc1)O2 ZINC000587394090 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccnc3)cc1)O2 ZINC000587394115 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccnc3)cc1)O2 ZINC000587394117 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cccnc1)O2 ZINC000587394134 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cccnc1)O2 ZINC000587394135 EI Annotated Anodyne Cc1cccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 ZINC000587394138 EI Annotated Anodyne Cc1cccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 ZINC000587394140 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3)nc1)O2 ZINC000587394243 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3)nc1)O2 ZINC000587394244 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3ncccc3C)C1)O2 ZINC000587394263 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3ncccc3C)C1)O2 ZINC000587394264 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3ncccc3C)C1)O2 ZINC000587394265 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3ncccc3C)C1)O2 ZINC000587394266 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)nc1)O2 ZINC000587394301 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3)nc1)O2 ZINC000587394302 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccn3)cc1)O2 ZINC000587394311 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccn3)cc1)O2 ZINC000587394312 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(-c3ccccc3)no1)O2 ZINC000587394372 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(-c3ccccc3)no1)O2 ZINC000587394373 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)noc1-c1ccccc1)O2 ZINC000587394374 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)noc1-c1ccccc1)O2 ZINC000587394375 EI Annotated Anodyne CCc1nc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2o1 ZINC000587394376 EI Annotated Anodyne CCc1nc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2o1 ZINC000587394377 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cccc3ccncc13)O2 ZINC000587394396 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc3ccncc13)O2 ZINC000587394397 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc3cnccc3c1)O2 ZINC000587394425 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc3cnccc3c1)O2 ZINC000587394426 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccnc3)ccc1O)O2 ZINC000587394613 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccnc3)ccc1O)O2 ZINC000587394614 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cc(O)ccn3)c1)O2 ZINC000587394638 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cc(O)ccn3)c1)O2 ZINC000587394639 EI Annotated Anodyne Cc1ccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)co2)cc1 ZINC000587394700 EI Annotated Anodyne Cc1ccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)co2)cc1 ZINC000587394701 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccncc3)cc1)O2 ZINC000587394891 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccncc3)cc1)O2 ZINC000587394893 EI Annotated Anodyne CCOc1nc2ccccc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395074 EI Annotated Anodyne CCOc1nc2ccccc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395075 EI Annotated Anodyne CCOc1ccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587395273 EI Annotated Anodyne CCOc1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587395280 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(-c3ccccc3)noc1C)O2 ZINC000587395284 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(-c3ccccc3)noc1C)O2 ZINC000587395286 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncc1)(c1ccccc1)O2 ZINC000587395326 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncc1)(c1ccccc1)O2 ZINC000587395327 EI Annotated Anodyne CCOc1ccc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587395330 EI Annotated Anodyne CCOc1ccc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587395331 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccncc3)c1)O2 ZINC000587395639 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccncc3)c1)O2 ZINC000587395640 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1c(C)cc(C)cc31)O2 ZINC000587395701 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1c(C)cc(C)cc31)O2 ZINC000587395702 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c[nH]c3cc(C)ccc13)O2 ZINC000587395711 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c[nH]c3cc(C)ccc13)O2 ZINC000587395712 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)(C1CC1)O2 ZINC000587395713 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)(C1CC1)O2 ZINC000587395714 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1c(C)cccc31)O2 ZINC000587395715 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1c(C)cccc31)O2 ZINC000587395716 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c4ccccc4c31)O2 ZINC000587395743 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c4ccccc4c31)O2 ZINC000587395744 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(-c3ccccc3)c1)O2 ZINC000587395840 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc(-c3ccccc3)c1)O2 ZINC000587395842 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccnc3)c1)O2 ZINC000587395918 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccnc3)c1)O2 ZINC000587395920 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1C1CCCCC1)O2 ZINC000587395959 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1C1CCCCC1)O2 ZINC000587395960 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3[nH]c4ccc(C)cc4c3C1)O2 ZINC000587395995 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3[nH]c4ccc(C)cc4c3C1)O2 ZINC000587395996 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c[nH]c3ccccc13)O2 ZINC000587396001 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c[nH]c3ccccc13)O2 ZINC000587396002 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1ccc(C)cc31)O2 ZINC000587396011 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1ccc(C)cc31)O2 ZINC000587396012 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccncc1)O2 ZINC000587396091 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccncc1)O2 ZINC000587396092 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cnc3ccccc3c1)O2 ZINC000587396186 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cnc3ccccc3c1)O2 ZINC000587396187 EI Annotated Anodyne Cc1ccc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396201 EI Annotated Anodyne Cc1ccc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396203 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)cc1C)O2 ZINC000587396265 EI Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)cc1C)O2 ZINC000587396266 EI Annotated Clean CCc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396361 EI Annotated Anodyne CCc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396362 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1[nH]c(-c3ccccc3)nc1C)O2 ZINC000587396391 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1[nH]c(-c3ccccc3)nc1C)O2 ZINC000587396392 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccccc31)O2 ZINC000587396551 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccccc31)O2 ZINC000587396552 EI Annotated Anodyne CCN1c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@@H]1C ZINC000587396570 EI Annotated Anodyne CCN1c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@@H]1C ZINC000587396572 EI Annotated Anodyne CCN1c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@H]1C ZINC000587396574 EI Annotated Anodyne CCN1c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@H]1C ZINC000587396576 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]cc1-c1ccccc1)O2 ZINC000587396700 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]cc1-c1ccccc1)O2 ZINC000587396703 EI Annotated Anodyne CCOc1cccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587396855 EI Annotated Anodyne CCOc1cccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587396856 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)c(C)c1)O2 ZINC000587397273 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)c(C)c1)O2 ZINC000587397274 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c(C)[nH]c3ccccc13)O2 ZINC000587397354 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c(C)[nH]c3ccccc13)O2 ZINC000587397356 EI Annotated Mild COc1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1C ZINC000587397361 EI Annotated Anodyne COc1ccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1C ZINC000587397364 EI Annotated Anodyne CCc1ccc(-c2c[nH]nc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397396 EI Annotated Anodyne CCc1ccc(-c2c[nH]nc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397398 EI Annotated Anodyne CCN1CCCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587397484 EI Annotated Anodyne CCN1CCCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587397491 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cc(C)ccc1C)O2 ZINC000587397492 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cc(C)ccc1C)O2 ZINC000587397494 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c4c(ccc13)CCC4)O2 ZINC000587397556 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c4c(ccc13)CCC4)O2 ZINC000587397557 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(C)c(C)c1)O2 ZINC000587397564 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(C)c(C)c1)O2 ZINC000587397565 EI Annotated Anodyne CCOc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587397623 EI Annotated Anodyne CCOc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587397628 EI Annotated Anodyne CCOC(=O)C[C@]1(CCCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397649 EI Annotated Anodyne CCOC(=O)C[C@@]1(CCCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397653 EI Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 ZINC000587397817 EI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 ZINC000587397831 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3CCCCC3)c1)O2 ZINC000587397952 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3CCCCC3)c1)O2 ZINC000587397957 EI Annotated Anodyne COc1ccc2[nH]c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)c2c1 ZINC000587397962 EI Annotated Anodyne COc1ccc2[nH]c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)c2c1 ZINC000587397964 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCCCC1)O2 ZINC000587397966 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCCCC1)O2 ZINC000587397969 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(C)C)cc1)O2 ZINC000587398038 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(C)C)cc1)O2 ZINC000587398040 EI Annotated Anodyne CCCCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398041 EI Annotated Anodyne CCCCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398043 EI Annotated Anodyne COc1ccccc1C[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398277 EI Annotated Anodyne COc1ccccc1C[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398278 EI Annotated Anodyne CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587398341 EI Annotated Anodyne CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587398342 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(C)C)cc1)O2 ZINC000587398409 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(C)C)cc1)O2 ZINC000587398410 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCCOc1ccccc1)O2 ZINC000587398515 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCCOc1ccccc1)O2 ZINC000587398516 EI Annotated Anodyne CO[C@@H](C)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398541 EI Annotated Anodyne CO[C@@H](C)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398542 EI Annotated Anodyne CO[C@H](C)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398543 EI Annotated Anodyne CO[C@H](C)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398544 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COCc1ccccc1)(C(C)C)O2 ZINC000587398560 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COCc1ccccc1)(C(C)C)O2 ZINC000587398563 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1OCC1CC1)O2 ZINC000587398588 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1OCC1CC1)O2 ZINC000587398594 EI Annotated Anodyne CCOc1c(C)cc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398625 EI Annotated Anodyne CCOc1c(C)cc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398626 EI Annotated Anodyne CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398689 EI Annotated Anodyne CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398690 EI Annotated Anodyne COc1ccccc1[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398703 EI Annotated Anodyne COc1ccccc1[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398705 EI Annotated Anodyne CCCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587398727 EI Annotated Anodyne CCCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587398728 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(C)C)cc1)O2 ZINC000587398852 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(C)C)cc1)O2 ZINC000587398854 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(C)C)c(C)c1)O2 ZINC000587398893 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(C)C)c(C)c1)O2 ZINC000587398895 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3cc4ccccc4cc31)O2 ZINC000587398919 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3cc4ccccc4cc31)O2 ZINC000587398921 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(C)(C)C)O2 ZINC000587398947 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(C)(C)C)O2 ZINC000587398948 EI Annotated Anodyne CCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399026 EI Annotated Anodyne CCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399028 EI Annotated Anodyne CCOc1ccc([C@@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399056 EI Annotated Anodyne CCOc1ccc([C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399059 EI Annotated Anodyne CCCc1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399095 EI Annotated Anodyne CCCc1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399098 EI Annotated Anodyne CCOc1ccc(OCC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399124 EI Annotated Anodyne CCOc1ccc(OCC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399127 EI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C ZINC000587399260 EI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C ZINC000587399263 EI Annotated Anodyne CCCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399352 EI Annotated Anodyne CCCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399355 EI Annotated Anodyne CCOc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587399364 EI Annotated Anodyne CCOc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587399366 EI Annotated Anodyne COc1cccc([C@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399485 EI Annotated Anodyne COc1cccc([C@@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399486 EI Annotated Anodyne COC(=O)CCCCCCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399594 EI Annotated Anodyne COC(=O)CCCCCCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399596 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCN3C(C)C)O2 ZINC000587399601 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCN3C(C)C)O2 ZINC000587399602 EI Annotated Anodyne C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC ZINC000587399699 EI Annotated Mild C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC ZINC000587399702 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(C)(C)C)cc1)O2 ZINC000587399764 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(C)(C)C)cc1)O2 ZINC000587399765 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(C)C)c1)O2 ZINC000587399787 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(C)C)c1)O2 ZINC000587399788 EI Annotated Anodyne CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587399798 EI Annotated Anodyne CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587399800 EI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587399808 EI Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587399811 EI Annotated Anodyne CCCOc1ccc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399851 EI Annotated Anodyne CCCOc1ccc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399852 EI Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CC ZINC000587399853 EI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CC ZINC000587399855 EI Annotated Anodyne CCCOc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399876 EI Annotated Anodyne CCCOc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399877 EI Annotated Anodyne COc1cc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587399883 EI Annotated Anodyne COc1cc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587399887 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)C ZINC000587399936 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)C ZINC000587399940 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC3CC3)c(C)c1)O2 ZINC000587399953 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC3CC3)c(C)c1)O2 ZINC000587399954 EI Annotated Anodyne CCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)CCC2 ZINC000587400091 EI Annotated Anodyne CCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)CCC2 ZINC000587400094 EI Annotated Anodyne CCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400124 EI Annotated Anodyne CCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400125 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(OC(C)C)cc1)O2 ZINC000587400162 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(OC(C)C)cc1)O2 ZINC000587400165 EI Annotated Anodyne COc1c(C)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587400185 EI Annotated Anodyne COc1c(C)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587400188 EI Annotated Anodyne CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400231 EI Annotated Anodyne CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400233 EI Annotated Anodyne COc1cc(C)c(C)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400280 EI Annotated Anodyne COc1cc(C)c(C)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400282 EI Annotated Anodyne CC(C)=C1NCCc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc21 ZINC000587400320 EI Annotated Anodyne CC(C)=C1NCCc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc21 ZINC000587400323 EI Annotated Anodyne COc1c(C)cc(C)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400351 EI Annotated Anodyne COc1c(C)cc(C)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400352 EI Annotated Anodyne COc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C ZINC000587400358 EI Annotated Anodyne COc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C ZINC000587400360 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1CCCCCC1)O2 ZINC000587400645 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1CCCCCC1)O2 ZINC000587400649 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1N1CCCCCC1)O2 ZINC000587400652 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1N1CCCCCC1)O2 ZINC000587400654 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)C ZINC000587400782 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)C ZINC000587400784 EI Annotated Anodyne CCCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400856 EI Annotated Anodyne CCCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400857 EI Annotated Anodyne CCCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400858 EI Annotated Anodyne CCCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400859 EI Annotated Anodyne CCCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400864 EI Annotated Anodyne CCCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400865 EI Annotated Anodyne CCOc1ccc([C@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401036 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(C)C)c1 ZINC000587401043 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(C)C)c1 ZINC000587401044 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(C)C)c1)O2 ZINC000587401078 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(C)C)c1)O2 ZINC000587401081 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1)O2 ZINC000587401099 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1)O2 ZINC000587401101 EI Annotated Anodyne CC[C@@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401108 EI Annotated Anodyne CC[C@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401110 EI Annotated Anodyne CC[C@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401113 EI Annotated Anodyne CC[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401116 EI Annotated Anodyne CCOc1ccc([C@@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401229 EI Annotated Anodyne COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C ZINC000587401286 EI Annotated Anodyne COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C ZINC000587401287 EI Annotated Anodyne CCc1ccc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401316 EI Annotated Anodyne CCc1ccc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401318 EI Annotated Anodyne COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401344 EI Annotated Anodyne COc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401345 EI Annotated Anodyne CCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC ZINC000587401379 EI Annotated Anodyne CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC ZINC000587401381 EI Annotated Anodyne C#CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CC=C ZINC000587401464 EI Annotated Mild C#CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CC=C ZINC000587401465 EI Annotated Mild CC[C@@H](C)Oc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401495 EI Annotated Anodyne CC[C@H](C)Oc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401497 EI Annotated Anodyne CC[C@H](C)Oc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401498 EI Annotated Anodyne CC[C@@H](C)Oc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401500 EI Annotated Anodyne CCOc1ccc(CC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401721 EI Annotated Anodyne CCOc1ccc(CC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401722 EI Annotated Anodyne CC[C@@]1(c2cc(C)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401860 EI Annotated Anodyne CC[C@]1(c2cc(C)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401861 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OC(C)C)O2 ZINC000587402022 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OC(C)C)O2 ZINC000587402023 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3c1ccccc1)O2 ZINC000587402066 EI Annotated Anodyne COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)CCCC2 ZINC000587402352 EI Annotated Anodyne COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)CCCC2 ZINC000587402353 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(C)C)O2 ZINC000587402421 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(C)C)O2 ZINC000587402422 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(C)C)cc1O)O2 ZINC000587402458 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(C)C)cc1O)O2 ZINC000587402463 EI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402588 EI Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402590 EI Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402591 EI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402592 EI Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)C ZINC000587402604 EI Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)C ZINC000587402605 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 ZINC000587402635 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 ZINC000587402636 EI Annotated Anodyne COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587402713 EI Annotated Anodyne COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587402715 EI Annotated Anodyne COc1ccc2c(c1)CCCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402794 EI Annotated Anodyne COc1ccc2c(c1)CCCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402796 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)ccc1O)O2 ZINC000587402968 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)ccc1O)O2 ZINC000587402971 EI Annotated Anodyne COc1ccc(C)c2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403142 EI Annotated Anodyne COc1ccc(C)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403143 EI Annotated Anodyne COc1cc2ccccc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403150 EI Annotated Anodyne COc1cc2ccccc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403151 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3cc(O)ccc3c1)O2 ZINC000587403346 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3cc(O)ccc3c1)O2 ZINC000587403347 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(C)o1)(c1ccc(C)o1)O2 ZINC000587403362 EI Annotated Anodyne COc1ccc([C@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403420 EI Annotated Anodyne COc1ccc([C@@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403421 EI Annotated Anodyne COc1ccc([C@@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403482 EI Annotated Anodyne COc1ccc([C@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403483 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(C)(C)C)c1O)O2 ZINC000587403507 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(C)(C)C)c1O)O2 ZINC000587403508 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(O)cc21 ZINC000587403596 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(O)cc21 ZINC000587403599 EI Annotated Anodyne COc1ccc2c(c1)C(C)(C)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403603 EI Annotated Anodyne COc1ccc2c(c1)C(C)(C)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403604 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(c3ccc(O)cc3)CC1)O2 ZINC000587403621 EI Annotated Anodyne COc1ccc([C@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403639 EI Annotated Anodyne COc1ccc([C@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403640 EI Annotated Anodyne COc1ccc([C@@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403642 EI Annotated Anodyne COc1ccc([C@@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403643 EI Annotated Anodyne COc1ccc([C@H]2C[C@@H]2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403693 EI Annotated Anodyne COc1ccc([C@H]2C[C@@H]2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403694 EI Annotated Anodyne COc1ccc2c(c1)[C@@H](C)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403728 EI Annotated Anodyne COc1ccc2c(c1)[C@@H](C)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403731 EI Annotated Anodyne COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403734 EI Annotated Anodyne COc1ccc2c(c1)[C@H](C)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403736 EI Annotated Anodyne CCO[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 ZINC000587403794 EI Annotated Anodyne CCO[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 ZINC000587403801 EI Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 ZINC000587403802 EI Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 ZINC000587403803 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C=O)cc1)(C1CCCC1)O2 ZINC000587403967 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C=O)cc1)(C1CCCC1)O2 ZINC000587403968 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C)c(C=O)c(C)c1C)O2 ZINC000587404015 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C)c(C=O)c(C)c1C)O2 ZINC000587404020 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1O)O2 ZINC000587404136 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1O)O2 ZINC000587404137 EI Annotated Anodyne CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(CC)c1O ZINC000587404179 EI Annotated Anodyne CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(CC)c1O ZINC000587404180 EI Annotated Anodyne CC(=O)c1c(C)cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587404338 EI Annotated Anodyne CC(=O)c1c(C)cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587404341 EI Annotated Anodyne CCC[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404392 EI Annotated Anodyne CCC[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404393 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(O)c1)O2 ZINC000587404445 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(O)c1)O2 ZINC000587404446 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](Oc3ccccc3)C1(C)C)O2 ZINC000587404606 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](Oc3ccccc3)C1(C)C)O2 ZINC000587404609 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](Oc3ccccc3)C1(C)C)O2 ZINC000587404610 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](Oc3ccccc3)C1(C)C)O2 ZINC000587404611 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3cc1C=O)O2 ZINC000587405387 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(C(C)(C)C)c1)O2 ZINC000587405392 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(C(C)(C)C)c1)O2 ZINC000587405393 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3cc1C=O)O2 ZINC000587405395 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C=O)c1)(C1CCC1)O2 ZINC000587405445 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C=O)c1)(C1CCC1)O2 ZINC000587405450 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1O)O2 ZINC000587405979 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1O)O2 ZINC000587405980 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)C3CCC3)c1)O2 ZINC000587406469 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)C3CCC3)c1)O2 ZINC000587406472 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1)(c1ccccc1)O2 ZINC000587406648 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C=O)c1)(C1CCCC1)O2 ZINC000587406831 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C=O)c1)(C1CCCC1)O2 ZINC000587406832 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCC3)Oc3ccccc31)O2 ZINC000587406913 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCC3)Oc3ccccc31)O2 ZINC000587406914 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCO3)(C(C)C)O2 ZINC000587406976 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCO3)(C(C)C)O2 ZINC000587406977 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)oc3ccc(O)cc13)O2 ZINC000587407078 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)oc3ccc(O)cc13)O2 ZINC000587407079 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)cc(C)c(C=O)c1C)O2 ZINC000587407216 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)cc(C)c(C=O)c1C)O2 ZINC000587407218 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@H]3CCCCO3)o1)O2 ZINC000587407221 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@@H]3CCCCO3)o1)O2 ZINC000587407222 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@H]3CCCCO3)o1)O2 ZINC000587407223 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@@H]3CCCCO3)o1)O2 ZINC000587407224 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc4c(cc31)CCC4)O2 ZINC000587407270 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc4c(cc31)CCC4)O2 ZINC000587407271 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(C)cc(C)c3c1=O)O2 ZINC000587407371 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(C)cc(C)c3c1=O)O2 ZINC000587407373 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(C)cc(C)cc3c1=O)O2 ZINC000587408353 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(C)cc(C)cc3c1=O)O2 ZINC000587408354 EI Annotated Anodyne CSc1ccc2c(c1)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408420 EI Annotated Anodyne CSc1ccc2c(c1)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408424 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C3CCC(=O)CC3)CC1)O2 ZINC000587408533 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(Cl)s1)O2 ZINC000587408632 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(Cl)s1)O2 ZINC000587408633 EI Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1SC ZINC000587408645 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1SC ZINC000587408646 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(C)c(C)cc3c1=O)O2 ZINC000587408679 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(C)c(C)cc3c1=O)O2 ZINC000587408680 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Cl)s1)O2 ZINC000587408698 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Cl)s1)O2 ZINC000587408700 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2-c2ccccc21 ZINC000587408965 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)s1)O2 ZINC000587409097 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)s1)O2 ZINC000587409098 EI Annotated Anodyne CSc1ccccc1C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409215 EI Annotated Anodyne CSc1ccccc1C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409218 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)s1)O2 ZINC000587409240 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)s1)O2 ZINC000587409243 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccsc1N)(C(C)(C)C)O2 ZINC000587409262 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccsc1N)(C(C)(C)C)O2 ZINC000587409265 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@H]3CCCO3)s1)O2 ZINC000587409278 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@@H]3CCCO3)s1)O2 ZINC000587409282 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@H]3CCCO3)s1)O2 ZINC000587409285 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@@H]3CCCO3)s1)O2 ZINC000587409287 EI Annotated Anodyne CCCC[C@]1(CCCCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409448 EI Annotated Anodyne CCCC[C@@]1(CCCCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409449 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC[C@H]1Cc1ccccc1C2 ZINC000587409483 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccn3)s1)O2 ZINC000587409616 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccn3)s1)O2 ZINC000587409626 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)Sc1ccccc1)O2 ZINC000587409663 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)Sc1ccccc1)O2 ZINC000587409669 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sccc1Br)O2 ZINC000587410033 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sccc1Br)O2 ZINC000587410035 EI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1SC ZINC000587410062 EI Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1SC ZINC000587410065 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3cccc(C(=O)O)c13)O2 ZINC000587410151 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3cccc(C(=O)O)c13)O2 ZINC000587410156 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(Br)c1)O2 ZINC000587410182 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(Br)c1)O2 ZINC000587410184 EI Annotated Anodyne CSc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410206 EI Annotated Reactive CSc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410211 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(N)sc(C)c1C)(C1CC1)O2 ZINC000587410725 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(N)sc(C)c1C)(C1CC1)O2 ZINC000587410726 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)sc1C)O2 ZINC000587410738 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)sc1C)O2 ZINC000587410739 EI Annotated Reactive CSc1ccc2c(c1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410790 EI Annotated Anodyne CSc1ccc2c(c1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410794 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(C(C)(C)C)cc1N)O2 ZINC000587410836 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(C(C)(C)C)cc1N)O2 ZINC000587410837 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C1\CCCO1)(c1ccccc1)O2 ZINC000587410858 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C1\CCCO1)(c1ccccc1)O2 ZINC000587410862 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C1/CCCO1)(c1ccccc1)O2 ZINC000587410866 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C1/CCCO1)(c1ccccc1)O2 ZINC000587410869 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(C)c(C)cc31)O2 ZINC000587410939 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc(C)c(C)cc31)O2 ZINC000587410943 EI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1SC ZINC000587411013 EI Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1SC ZINC000587411015 EI Annotated Anodyne Cc1ccc(SC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411058 EI Annotated Anodyne Cc1ccc(SC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411060 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cscc1Br)O2 ZINC000587411077 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cscc1Br)O2 ZINC000587411081 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCSc1ccccc1)O2 ZINC000587411171 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCSc1ccccc1)O2 ZINC000587411175 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3)cs1)O2 ZINC000587411277 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3)cs1)O2 ZINC000587411278 EI Annotated Anodyne CCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587411313 EI Annotated Reactive CCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587411314 EI Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(C(C)C)nc1C)O2 ZINC000587411614 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(C(C)C)nc1C)O2 ZINC000587411615 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1cccs1)O2 ZINC000587411628 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1cccs1)O2 ZINC000587411635 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cs1)O2 ZINC000587411802 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cs1)O2 ZINC000587411804 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1C1CCOCC1)O2 ZINC000587411821 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1C1CCOCC1)O2 ZINC000587411827 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3occ(C)c31)O2 ZINC000587412065 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3occ(C)c31)O2 ZINC000587412066 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1nccs1)O2 ZINC000587412123 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1nccs1)O2 ZINC000587412126 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccsc1Br)O2 ZINC000587412128 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccsc1Br)O2 ZINC000587412131 EI Annotated Anodyne COc1cccc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 ZINC000587412161 EI Annotated Anodyne COc1cccc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 ZINC000587412164 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(C(C)C)cccc31)O2 ZINC000587412317 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(C(C)C)cccc31)O2 ZINC000587412318 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3sc(C=O)cc3s1)O2 ZINC000587412364 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3sc(C=O)cc3s1)O2 ZINC000587412365 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)CC(C)(C)CC3)O2 ZINC000587412396 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)CC(C)(C)CC3)O2 ZINC000587412397 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)CC[C@H]1C(C)(C)S)O2 ZINC000587412487 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)CC[C@@H]1C(C)(C)S)O2 ZINC000587412490 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)CC[C@@H]1C(C)(C)S)O2 ZINC000587412491 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)CC[C@H]1C(C)(C)S)O2 ZINC000587412492 EI Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nccs3)cc1)O2 ZINC000587412569 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nccs3)cc1)O2 ZINC000587412570 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3nccs3)c1)O2 ZINC000587412579 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3nccs3)c1)O2 ZINC000587412581 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(C)o3)s1)O2 ZINC000587412590 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(C)o3)s1)O2 ZINC000587412595 EI Annotated Anodyne COc1ccc2occ([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587412777 EI Annotated Anodyne COc1ccc2occ([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587412778 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCC(C)(C)O3)O2 ZINC000587412794 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCC(C)(C)O3)O2 ZINC000587412795 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2SC[C@H]1C ZINC000587412849 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2SC[C@@H]1C ZINC000587412850 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2SC[C@H]1C ZINC000587412851 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2SC[C@@H]1C ZINC000587412852 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3)s1)O2 ZINC000587413042 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3)s1)O2 ZINC000587413043 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS[C@H](c3cccs3)C1)O2 ZINC000587413119 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS[C@@H](c3cccs3)C1)O2 ZINC000587413124 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS[C@H](c3cccs3)C1)O2 ZINC000587413126 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS[C@@H](c3cccs3)C1)O2 ZINC000587413128 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Cl)nc1Cl)O2 ZINC000587413441 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Cl)nc1Cl)O2 ZINC000587413442 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C3CCCC3)s1)O2 ZINC000587413461 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C3CCCC3)s1)O2 ZINC000587413462 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccsc3)nc1)O2 ZINC000587413506 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccsc3)nc1)O2 ZINC000587413509 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c3c(c1)CC(C)(C)O3)O2 ZINC000587413599 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c3c(c1)CC(C)(C)O3)O2 ZINC000587413600 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccccc3)o1)O2 ZINC000587413609 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccccc3)o1)O2 ZINC000587413610 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccs3)n1)O2 ZINC000587413870 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccs3)n1)O2 ZINC000587413871 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccco3)s1)O2 ZINC000587413872 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccco3)s1)O2 ZINC000587413873 EI Annotated Anodyne CC[C@@]1(c2ccc3c(c2)CCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413889 EI Annotated Anodyne CC[C@]1(c2ccc3c(c2)CCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413890 EI Annotated Anodyne Cc1ccc([C@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414026 EI Annotated Anodyne Cc1ccc([C@@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414032 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3ccc(C)cc31)O2 ZINC000587414198 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3ccc(C)cc31)O2 ZINC000587414199 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3cccs3)oc1C)O2 ZINC000587414246 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3cccs3)oc1C)O2 ZINC000587414247 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccsc3)s1)O2 ZINC000587414248 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccsc3)s1)O2 ZINC000587414249 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C=O)sc3s1)O2 ZINC000587414339 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C=O)sc3s1)O2 ZINC000587414341 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c1ccc(C)c3C)O2 ZINC000587414608 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c1ccc(C)c3C)O2 ZINC000587414609 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccs3)s1)O2 ZINC000587414687 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cccs3)s1)O2 ZINC000587414688 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(-c3ccccc3)s1)O2 ZINC000587414741 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(-c3ccccc3)s1)O2 ZINC000587414742 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(C3CC3)nc1C)O2 ZINC000587414762 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(C3CC3)nc1C)O2 ZINC000587414764 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc3ccccc3s1)O2 ZINC000587414877 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc3ccccc3s1)O2 ZINC000587414879 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)OC1(C)C)O2 ZINC000587414966 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)OC1(C)C)O2 ZINC000587414967 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)OC1(C)C)O2 ZINC000587414968 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)OC1(C)C)O2 ZINC000587414969 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc(C(C)C)cc31)O2 ZINC000587414972 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(C(C)C)cc31)O2 ZINC000587414974 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(C)cc(C)cc31)O2 ZINC000587414996 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(C)cc(C)cc31)O2 ZINC000587414997 EI Annotated Anodyne CCC[C@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415006 EI Annotated Anodyne CCC[C@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415007 EI Annotated Anodyne CCC[C@@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415008 EI Annotated Anodyne CCC[C@@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415009 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c3ccsc3c1)O2 ZINC000587415215 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c3ccsc3c1)O2 ZINC000587415217 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1-c1ccsc1)O2 ZINC000587415232 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1-c1ccsc1)O2 ZINC000587415234 EI Annotated Anodyne COc1ccc([C@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415269 EI Annotated Anodyne COc1ccc([C@@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415270 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccsc3)n1)O2 ZINC000587415278 EI Annotated Anodyne CC[C@@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 ZINC000587415301 EI Annotated Anodyne CC[C@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 ZINC000587415302 EI Annotated Anodyne CC[C@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 ZINC000587415303 EI Annotated Anodyne CC[C@@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 ZINC000587415305 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccsc3)n1)O2 ZINC000587415357 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)on1)O2 ZINC000587415385 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)on1)O2 ZINC000587415386 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)Sc3ccccc31)O2 ZINC000587415736 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)Sc3ccccc31)O2 ZINC000587415737 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)Sc3ccccc31)O2 ZINC000587415738 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)Sc3ccccc31)O2 ZINC000587415739 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCSc3ccccc31)O2 ZINC000587415809 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCSc3ccccc31)O2 ZINC000587415810 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(s1)CCCC3)O2 ZINC000587415902 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(s1)CCCC3)O2 ZINC000587415907 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)Sc3sccc31)O2 ZINC000587415990 EI Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)Sc3sccc31)O2 ZINC000587415995 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587416637 EI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587416639 EI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587416641 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587416643 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(Cl)Cl)[C@@H](C2)C3=O ZINC000587416922 EI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(C(Cl)Cl)[C@@H](C2)C3=O ZINC000587416923 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587416986 EI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587416987 EI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417024 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417025 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C(Cl)Cl)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587417105 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C(Cl)Cl)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587417110 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587417241 EI Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587417243 EI Annotated Reactive CCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417324 EI Annotated Reactive CCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417327 EI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(C)cc(Cl)cc1C)[C@@H](C2)C3=O ZINC000587417588 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(Cl)cc1C)[C@@H](C2)C3=O ZINC000587417589 EI Annotated Anodyne CCOc1ccc(Cl)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417590 EI Annotated Anodyne CCOc1ccc(Cl)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417591 EI Annotated Anodyne CC[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417628 EI Annotated Anodyne CC[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417629 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417889 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417890 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417892 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417895 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417943 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417944 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1OC)[C@@H](C2)C3=O ZINC000587418012 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)ccc1OC)[C@@H](C2)C3=O ZINC000587418014 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418042 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418044 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418045 EI Annotated Reactive COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418046 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587418063 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587418352 EI Annotated Anodyne CC[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418418 EI Annotated Anodyne CC[C@@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418420 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418474 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418476 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587418538 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587418541 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418578 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418581 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587418723 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587418728 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587418730 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587418732 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587418768 EI Annotated Reactive COc1cc2c3c(c1)O[C@@H](C1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587418770 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)ccc1C)[C@@H](C2)C3=O ZINC000587418771 EI Annotated Reactive COc1cc2c3c(c1)O[C@H](C1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587418783 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587418870 EI Annotated Reactive COc1cc2c3c(c1)O[C@](CCCCl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587418884 EI Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587418891 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587418894 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587418897 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587418898 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(C)c1)[C@@H](C2)C3=O ZINC000587418913 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(C)c1)[C@@H](C2)C3=O ZINC000587418918 EI Annotated Anodyne CCCCC(Cl)(Cl)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418998 EI Annotated Anodyne CCCCC(Cl)(Cl)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419004 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587419327 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587419340 EI Annotated Anodyne CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Cl ZINC000587419433 EI Annotated Anodyne CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Cl ZINC000587419436 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4[nH]cc(Cl)c14)[C@@H](C2)C3=O ZINC000587419443 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4[nH]cc(Cl)c14)[C@@H](C2)C3=O ZINC000587419444 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4C[C@@H]1C)[C@@H](C2)C3=O ZINC000587419471 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4C[C@@H]1C)[C@@H](C2)C3=O ZINC000587419473 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4C[C@H]1C)[C@@H](C2)C3=O ZINC000587419476 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4C[C@H]1C)[C@@H](C2)C3=O ZINC000587419480 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4ccccc4c1Cl)[C@@H](C2)C3=O ZINC000587419509 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccccc4c1Cl)[C@@H](C2)C3=O ZINC000587419511 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)cc(C)c(Cl)c1C)[C@@H](C2)C3=O ZINC000587419608 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419610 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419611 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)cc(C)c(Cl)c1C)[C@@H](C2)C3=O ZINC000587419612 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(CCCl)cc1)[C@@H](C2)C3=O ZINC000587419627 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(CCCl)cc1)[C@@H](C2)C3=O ZINC000587419630 EI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCc4cccc(Cl)c4C1)[C@@H](C2)C3=O ZINC000587420046 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cccc(Cl)c4C1)[C@@H](C2)C3=O ZINC000587420060 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420097 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420101 EI Annotated Anodyne COc1cc(Cl)cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587420149 EI Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587420150 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587420174 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587420177 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(Cl)cc4C1)[C@@H](C2)C3=O ZINC000587420207 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Cl)cc4C1)[C@@H](C2)C3=O ZINC000587420212 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(CCl)c1)[C@@H](C2)C3=O ZINC000587420352 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cccc(CCl)c1)[C@@H](C2)C3=O ZINC000587420354 EI Annotated Reactive COc1cc2c3c(c1)O[C@@H](CCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587420616 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587420619 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587420723 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587420724 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(C(F)F)[C@@H](C2)C3=O ZINC000587420741 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccccc1)(C(F)F)[C@@H](C2)C3=O ZINC000587420744 EI Annotated Anodyne CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420768 EI Annotated Anodyne CC[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420771 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c(Cl)cc1C)[C@@H](C2)C3=O ZINC000587420792 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Cl)cc1C)[C@@H](C2)C3=O ZINC000587420794 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)c(Cl)cc(C)c1O)[C@@H](C2)C3=O ZINC000587420835 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(Cl)cc(C)c1O)[C@@H](C2)C3=O ZINC000587420838 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420924 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420926 EI Annotated Anodyne CCOc1c(Cl)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420979 EI Annotated Anodyne CCOc1c(Cl)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420980 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587421374 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587421376 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O ZINC000587421419 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O ZINC000587421431 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C)c1OC(F)F)[C@@H](C2)C3=O ZINC000587421488 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C)c1OC(F)F)[C@@H](C2)C3=O ZINC000587421491 EI Annotated Anodyne COc1cc2c3c(c1)OC1(CC(c4cccc(Cl)c4)C1)[C@@H](C2)C3=O ZINC000587421577 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O ZINC000587421599 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O ZINC000587421601 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587421662 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587421664 EI Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587421736 EI Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587421738 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C)c1Cl)[C@@H](C2)C3=O ZINC000587421989 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C)c1Cl)[C@@H](C2)C3=O ZINC000587421995 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(F)ccc1F)(C(C)C)[C@@H](C2)C3=O ZINC000587422038 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(F)ccc1F)(C(C)C)[C@@H](C2)C3=O ZINC000587422047 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422257 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422259 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(F)c1F)[C@@H](C2)C3=O ZINC000587422273 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(F)c1F)[C@@H](C2)C3=O ZINC000587422276 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C1CC1)[C@@H](C2)C3=O ZINC000587422536 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C1CC1)[C@@H](C2)C3=O ZINC000587422538 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)ccc4C1)[C@@H](C2)C3=O ZINC000587422541 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)ccc4C1)[C@@H](C2)C3=O ZINC000587422544 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422567 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422573 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(Cl)cccc14)[C@@H](C2)C3=O ZINC000587422599 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(Cl)cccc14)[C@@H](C2)C3=O ZINC000587422602 EI Annotated Anodyne CC[C@]1(c2cc(F)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422857 EI Annotated Anodyne CC[C@@]1(c2cc(F)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422861 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587422885 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587422886 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O ZINC000587422945 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O ZINC000587422946 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1F)[C@@H](C2)C3=O ZINC000587422958 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)ccc1F)[C@@H](C2)C3=O ZINC000587422960 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(CCCCF)c1)[C@@H](C2)C3=O ZINC000587422992 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(CCCCF)c1)[C@@H](C2)C3=O ZINC000587422998 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(F)cc1F)[C@@H](C2)C3=O ZINC000587423000 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(F)cc1F)[C@@H](C2)C3=O ZINC000587423002 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1CCCCF)[C@@H](C2)C3=O ZINC000587423011 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1CCCCF)[C@@H](C2)C3=O ZINC000587423013 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587423042 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587423043 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccc(Cl)cc4[nH]1)[C@@H](C2)C3=O ZINC000587423049 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccc(Cl)cc4[nH]1)[C@@H](C2)C3=O ZINC000587423051 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423456 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423457 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587423483 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587423487 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423514 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423515 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4C[C@@H]1C)[C@@H](C2)C3=O ZINC000587423552 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4C[C@@H]1C)[C@@H](C2)C3=O ZINC000587423553 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4C[C@H]1C)[C@@H](C2)C3=O ZINC000587423554 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4C[C@H]1C)[C@@H](C2)C3=O ZINC000587423555 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423576 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423583 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Cl)cccc1OC)[C@@H](C2)C3=O ZINC000587423683 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)cccc1OC)[C@@H](C2)C3=O ZINC000587423685 EI Annotated Anodyne CCc1cccc(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423712 EI Annotated Anodyne CCc1cccc(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423713 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423724 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587423728 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587423839 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587423840 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587423871 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587423874 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(SC(F)F)cc1)[C@@H](C2)C3=O ZINC000587423959 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SC(F)F)cc1)[C@@H](C2)C3=O ZINC000587423960 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587423963 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587423964 EI Annotated Anodyne CC[C@]1(c2c(F)cc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423979 EI Annotated Anodyne CC[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423980 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O ZINC000587423983 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O ZINC000587423984 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O ZINC000587424031 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587424035 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O ZINC000587424036 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587424037 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O ZINC000587424043 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O ZINC000587424044 EI Annotated Anodyne COc1cc2c3c(c1)OC(CCCCl)(CCCCl)[C@@H](C2)C3=O ZINC000587424101 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587424111 EI Annotated Reactive COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587424113 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424145 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424147 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587424148 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587424149 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587424189 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587424221 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)cc(C)c1Cl)[C@@H](C2)C3=O ZINC000587424285 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(C)c1Cl)[C@@H](C2)C3=O ZINC000587424309 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CCl)C4(C)C)[C@@H](C2)C3=O ZINC000587424369 EI Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CCl)C4(C)C)[C@@H](C2)C3=O ZINC000587424378 EI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O ZINC000587424379 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O ZINC000587424381 EI Annotated Anodyne COc1cc2c3c(c1)OC1(CC(c4ccc(Cl)cc4)C1)[C@@H](C2)C3=O ZINC000587424402 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424473 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424478 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587424479 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587424484 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(F)c1Cl)[C@@H](C2)C3=O ZINC000587424558 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(F)c1Cl)[C@@H](C2)C3=O ZINC000587424560 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)c(C)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587424609 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)c(C)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587424610 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587424695 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587424696 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O ZINC000587424711 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O ZINC000587424712 EI Annotated Anodyne CC[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424719 EI Annotated Anodyne CC[C@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424720 EI Annotated Anodyne CC[C@]1(c2c(F)cccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424767 EI Annotated Anodyne CC[C@@]1(c2c(F)cccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424768 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O ZINC000587424783 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O ZINC000587424784 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587424833 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1Cl)[C@@H](C2)C3=O ZINC000587424834 EI Annotated Anodyne CC[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424845 EI Annotated Anodyne CC[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424846 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(F)c1Cl)[C@@H](C2)C3=O ZINC000587424859 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)ccc(F)c1Cl)[C@@H](C2)C3=O ZINC000587424860 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587424876 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587424877 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(F)c1Cl)[C@@H](C2)C3=O ZINC000587424985 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(F)c1Cl)[C@@H](C2)C3=O ZINC000587424986 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(C)cc1F)[C@@H](C2)C3=O ZINC000587425005 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(C)cc1F)[C@@H](C2)C3=O ZINC000587425006 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587425295 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587425298 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(F)c1)[C@@H](C2)C3=O ZINC000587425476 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(F)c1)[C@@H](C2)C3=O ZINC000587425478 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(F)c1Cl)[C@@H](C2)C3=O ZINC000587425530 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(F)c1Cl)[C@@H](C2)C3=O ZINC000587425531 EI Annotated Anodyne CC[C@]1(c2ccc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425539 EI Annotated Anodyne CC[C@@]1(c2ccc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425540 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)(C(C)C)[C@@H](C2)C3=O ZINC000587425582 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)(C(C)C)[C@@H](C2)C3=O ZINC000587425585 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1F)[C@@H](C2)C3=O ZINC000587425601 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1F)[C@@H](C2)C3=O ZINC000587425602 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC)c(F)c1)[C@@H](C2)C3=O ZINC000587425799 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)c(F)c1)[C@@H](C2)C3=O ZINC000587425800 EI Annotated Anodyne CC[C@]1(c2cccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425943 EI Annotated Anodyne CC[C@@]1(c2cccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425944 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587425957 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587425958 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(C4CC4)c1F)[C@@H](C2)C3=O ZINC000587425987 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(C4CC4)c1F)[C@@H](C2)C3=O ZINC000587425988 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccccc4F)c1)[C@@H](C2)C3=O ZINC000587426087 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccccc4F)c1)[C@@H](C2)C3=O ZINC000587426088 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587426117 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587426118 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccc(F)c(C)c4[nH]1)[C@@H](C2)C3=O ZINC000587426158 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccc(F)c(C)c4[nH]1)[C@@H](C2)C3=O ZINC000587426159 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587426207 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587426208 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587426209 EI Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587426210 EI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CC[C@@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587426234 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587426235 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587426236 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587426237 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426247 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426249 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426251 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426252 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c4ccccc14)[C@@H](C2)C3=O ZINC000587426268 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c4ccccc14)[C@@H](C2)C3=O ZINC000587426270 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426524 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426525 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426527 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426529 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587426560 EI Annotated Mild COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587426561 EI Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587426563 EI Annotated Mild COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587426565 EI Annotated Mild CC[C@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426819 EI Annotated Anodyne CC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426821 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O ZINC000587426843 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O ZINC000587426845 EI Annotated Anodyne CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587426878 EI Annotated Anodyne CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587426879 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(F)ccc4o1)[C@@H](C2)C3=O ZINC000587427008 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cc(F)ccc4o1)[C@@H](C2)C3=O ZINC000587427012 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587427013 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(F)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587427021 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427136 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427137 EI Annotated Anodyne CC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427146 EI Annotated Anodyne CC[C@]1(c2cc(F)cc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427148 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(F)c1F)[C@@H](C2)C3=O ZINC000587427245 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc(F)c1F)[C@@H](C2)C3=O ZINC000587427246 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587427270 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587427271 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1Nc1ccccc1)[C@@H](C2)C3=O ZINC000587427387 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1Nc1ccccc1)[C@@H](C2)C3=O ZINC000587427388 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1Nc1ccccc1)[C@@H](C2)C3=O ZINC000587427389 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1Nc1ccccc1)[C@@H](C2)C3=O ZINC000587427390 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(C)(C)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427620 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C(C)(C)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427622 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587427817 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587427818 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)(C(C)C)[C@@H](C2)C3=O ZINC000587427832 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)(C(C)C)[C@@H](C2)C3=O ZINC000587427833 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cccc(F)c4o1)[C@@H](C2)C3=O ZINC000587427898 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cccc(F)c4o1)[C@@H](C2)C3=O ZINC000587427899 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(F)ccc(Cl)c41)[C@@H](C2)C3=O ZINC000587427907 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(F)ccc(Cl)c41)[C@@H](C2)C3=O ZINC000587427913 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427920 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427921 EI Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427923 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](Cl)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427925 EI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587427999 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587428000 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587428007 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587428009 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587428053 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587428055 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O ZINC000587428121 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O ZINC000587428122 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCl)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587428234 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587428238 EI Annotated Reactive CCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428330 EI Annotated Anodyne CCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428332 EI Annotated Anodyne CC[C@@]1(c2c(F)ccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428434 EI Annotated Anodyne CC[C@]1(c2c(F)ccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428437 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCCc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428950 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCCc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428951 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O ZINC000587429082 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O ZINC000587429084 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cc(F)cc41)[C@@H](C2)C3=O ZINC000587429301 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(Cl)cc(F)cc41)[C@@H](C2)C3=O ZINC000587429303 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587429312 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587429317 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429333 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429334 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1oc4ccc(F)cc4c1C)[C@@H](C2)C3=O ZINC000587429343 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1oc4ccc(F)cc4c1C)[C@@H](C2)C3=O ZINC000587429348 EI Annotated Anodyne C=CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587429364 EI Annotated Mild C=CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587429366 EI Annotated Mild COc1cc2c3c(c1)O[C@]1(c4cccc(F)c4CC[C@H]1C)[C@@H](C2)C3=O ZINC000587429620 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(F)c4CC[C@H]1C)[C@@H](C2)C3=O ZINC000587429621 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(F)c4CC[C@@H]1C)[C@@H](C2)C3=O ZINC000587429622 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(F)c4CC[C@@H]1C)[C@@H](C2)C3=O ZINC000587429623 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(F)cc4c1C)[C@@H](C2)C3=O ZINC000587429761 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(F)cc4c1C)[C@@H](C2)C3=O ZINC000587429764 EI Annotated Anodyne CCCc1ccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587429936 EI Annotated Mild CCCc1ccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587429939 EI Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccc4c(F)cccc14)[C@@H](C2)C3=O ZINC000587429942 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4c(F)cccc14)[C@@H](C2)C3=O ZINC000587429945 EI Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C)(c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587429999 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587430062 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587430063 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCC#N)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430167 EI Annotated Mild COc1cc2c3c(c1)O[C@](CCCC#N)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430168 EI Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O ZINC000587430194 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O ZINC000587430200 EI Annotated Anodyne CCn1ccc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cccc21 ZINC000587430328 EI Annotated Anodyne CCn1ccc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cccc21 ZINC000587430330 EI Annotated Anodyne CCn1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587430375 EI Annotated Clean CCn1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587430383 EI Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(CC(C)C)c1C)[C@@H](C2)C3=O ZINC000587430527 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(CC(C)C)c1C)[C@@H](C2)C3=O ZINC000587430528 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430562 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430563 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccccc4C)c1)[C@@H](C2)C3=O ZINC000587430613 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccccc4C)c1)[C@@H](C2)C3=O ZINC000587430614 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587430654 EI Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587430655 EI Annotated Clean CCn1ccc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587430865 EI Annotated Anodyne CCn1ccc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587430867 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1N(C)C(C)C)[C@@H](C2)C3=O ZINC000587430885 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1N(C)C(C)C)[C@@H](C2)C3=O ZINC000587430888 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@](C)(CCC#N)c1ccccc1)[C@@H](C2)C3=O ZINC000587431023 EI Annotated Mild CCn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587431028 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@](C)(CCC#N)c1ccccc1)[C@@H](C2)C3=O ZINC000587431029 EI Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@](C)(CCC#N)c1ccccc1)[C@@H](C2)C3=O ZINC000587431030 EI Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@](C)(CCC#N)c1ccccc1)[C@@H](C2)C3=O ZINC000587431031 EI Annotated Mild CCn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587431034 EI Annotated Anodyne CCCn1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431101 EI Annotated Anodyne CCCn1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431103 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1CCC(C)C)[C@@H](C2)C3=O ZINC000587431116 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1CCC(C)C)[C@@H](C2)C3=O ZINC000587431117 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(Cc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587431253 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(Cc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587431256 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587431315 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587431319 EI Annotated Anodyne CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587431709 EI Annotated Anodyne CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587431710 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O ZINC000587431759 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O ZINC000587431761 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1N)(C1CCCC1)[C@@H](C2)C3=O ZINC000587431975 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1N)(C1CCCC1)[C@@H](C2)C3=O ZINC000587431976 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1C(C)C)[C@@H](C2)C3=O ZINC000587431977 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1C(C)C)[C@@H](C2)C3=O ZINC000587431980 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587432190 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587432191 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1C1CCCCC1)[C@@H](C2)C3=O ZINC000587432577 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1C1CCCCC1)[C@@H](C2)C3=O ZINC000587432578 EI Annotated Anodyne CCn1ccc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc21 ZINC000587432651 EI Annotated Anodyne CCn1ccc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc21 ZINC000587432652 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587432667 EI Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587432668 EI Annotated Clean COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1C)[C@@H](C2)C3=O ZINC000587432779 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1C)[C@@H](C2)C3=O ZINC000587432782 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(N)cc4)o1)[C@@H](C2)C3=O ZINC000587433966 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(N)cc4)o1)[C@@H](C2)C3=O ZINC000587433967 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(C)cc4)on1)[C@@H](C2)C3=O ZINC000587435092 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(C)cc4)on1)[C@@H](C2)C3=O ZINC000587435093 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c4ncccc4c1)[C@@H](C2)C3=O ZINC000587435098 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c4ncccc4c1)[C@@H](C2)C3=O ZINC000587435099 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4ncccc4C)C1)[C@@H](C2)C3=O ZINC000587435231 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4ncccc4C)C1)[C@@H](C2)C3=O ZINC000587435234 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4ncccc4C)C1)[C@@H](C2)C3=O ZINC000587435238 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4ncccc4C)C1)[C@@H](C2)C3=O ZINC000587435241 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)cn1)[C@@H](C2)C3=O ZINC000587435465 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)cn1)[C@@H](C2)C3=O ZINC000587435466 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O ZINC000587435651 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O ZINC000587435652 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587435704 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587435705 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccn4)c1)[C@@H](C2)C3=O ZINC000587435730 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccn4)c1)[C@@H](C2)C3=O ZINC000587435731 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)noc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587435890 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)noc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587435891 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccncc1)[C@@H](C2)C3=O ZINC000587435966 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccncc1)[C@@H](C2)C3=O ZINC000587435967 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cncc(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587435970 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cncc(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587435971 EI Annotated Anodyne CCc1nc2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2o1 ZINC000587436161 EI Annotated Anodyne CCc1nc2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2o1 ZINC000587436162 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587436247 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587436248 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O ZINC000587436313 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O ZINC000587436314 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C)c4ncccc14)[C@@H](C2)C3=O ZINC000587436387 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C)c4ncccc14)[C@@H](C2)C3=O ZINC000587436388 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(C)c(C)cc4n1)[C@@H](C2)C3=O ZINC000587436492 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(C)c(C)cc4n1)[C@@H](C2)C3=O ZINC000587436493 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4nc(C)ccc4c1)[C@@H](C2)C3=O ZINC000587436700 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4nc(C)ccc4c1)[C@@H](C2)C3=O ZINC000587436703 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4c(C)c(C)[nH]c14)[C@@H](C2)C3=O ZINC000587436800 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4c(C)c(C)[nH]c14)[C@@H](C2)C3=O ZINC000587436802 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)nc4ccccc14)[C@@H](C2)C3=O ZINC000587436835 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)nc4ccccc14)[C@@H](C2)C3=O ZINC000587436837 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)ccc4ncccc14)[C@@H](C2)C3=O ZINC000587436857 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)ccc4ncccc14)[C@@H](C2)C3=O ZINC000587436858 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4c(C)cccc14)[C@@H](C2)C3=O ZINC000587436871 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4c(C)cccc14)[C@@H](C2)C3=O ZINC000587436872 EI Annotated Anodyne CCOc1ccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 ZINC000587436873 EI Annotated Anodyne CCOc1ccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 ZINC000587436874 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587436972 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587436974 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc(-c4ccc(C)cc4)n1)[C@@H](C2)C3=O ZINC000587437012 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc(-c4ccc(C)cc4)n1)[C@@H](C2)C3=O ZINC000587437014 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587437048 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587437050 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437155 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437156 EI Annotated Anodyne CCCC[C@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437195 EI Annotated Anodyne CCCC[C@@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437196 EI Annotated Anodyne CC[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437475 EI Annotated Anodyne CC[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437477 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O ZINC000587437534 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O ZINC000587437536 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(C)cc4c1C)[C@@H](C2)C3=O ZINC000587437537 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(C)cc4c1C)[C@@H](C2)C3=O ZINC000587437538 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)(C1CC1)[C@@H](C2)C3=O ZINC000587437589 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)(C1CC1)[C@@H](C2)C3=O ZINC000587437590 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4c(C)cccc14)[C@@H](C2)C3=O ZINC000587437672 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4c(C)cccc14)[C@@H](C2)C3=O ZINC000587437674 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O ZINC000587437729 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O ZINC000587437734 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437773 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437775 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccccc5c41)[C@@H](C2)C3=O ZINC000587437996 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccccc5c41)[C@@H](C2)C3=O ZINC000587437997 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587437998 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587437999 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)(C(C)C)[C@@H](C2)C3=O ZINC000587438016 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)(C(C)C)[C@@H](C2)C3=O ZINC000587438017 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4c5c(ccc14)CCC5)[C@@H](C2)C3=O ZINC000587438116 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c5c(ccc14)CCC5)[C@@H](C2)C3=O ZINC000587438118 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]cc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587438134 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]cc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587438138 EI Annotated Anodyne CCc1cccc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587438367 EI Annotated Anodyne CCc1cccc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 ZINC000587438369 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc([C@@H](C)OC)cc1)[C@@H](C2)C3=O ZINC000587438392 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc([C@@H](C)OC)cc1)[C@@H](C2)C3=O ZINC000587438396 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc([C@H](C)OC)cc1)[C@@H](C2)C3=O ZINC000587438399 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc([C@H](C)OC)cc1)[C@@H](C2)C3=O ZINC000587438401 EI Annotated Anodyne C=C(C)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438597 EI Annotated Mild C=C(C)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438664 EI Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O ZINC000587438685 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O ZINC000587438688 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(C)c(C)ccc4[nH]1)[C@@H](C2)C3=O ZINC000587438755 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(C)c(C)ccc4[nH]1)[C@@H](C2)C3=O ZINC000587438758 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438802 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438804 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O ZINC000587439004 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O ZINC000587439005 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)c(C)c1)[C@@H](C2)C3=O ZINC000587439157 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)c(C)c1)[C@@H](C2)C3=O ZINC000587439158 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(C)cc(C)cc4[nH]1)[C@@H](C2)C3=O ZINC000587439325 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(C)cc(C)cc4[nH]1)[C@@H](C2)C3=O ZINC000587439327 EI Annotated Anodyne CCCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587439526 EI Annotated Anodyne CCCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587439528 EI Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587439653 EI Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587439656 EI Annotated Anodyne CC[C@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439701 EI Annotated Anodyne CC[C@@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439702 EI Annotated Anodyne CC[C@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439704 EI Annotated Anodyne CC[C@@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439705 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(C)C)[C@@H](C2)C3=O ZINC000587439743 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(C)C)[C@@H](C2)C3=O ZINC000587439744 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O ZINC000587439771 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O ZINC000587439772 EI Annotated Anodyne CCOc1c(C)cc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439781 EI Annotated Anodyne CCOc1c(C)cc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439782 EI Annotated Anodyne CCOc1ccc(CC)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439789 EI Annotated Anodyne CCOc1ccc(CC)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439790 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4c(C)cccc4c1C)[C@@H](C2)C3=O ZINC000587440049 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4c(C)cccc4c1C)[C@@H](C2)C3=O ZINC000587440050 EI Annotated Anodyne CCOc1cccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587440168 EI Annotated Anodyne CCOc1cccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587440170 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587440234 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587440242 EI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440625 EI Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440626 EI Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440629 EI Annotated Anodyne CC[C@@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440632 EI Annotated Anodyne CC[C@@H](C)Oc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440754 EI Annotated Anodyne CC[C@H](C)Oc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440757 EI Annotated Anodyne CC[C@H](C)Oc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440761 EI Annotated Anodyne CC[C@@H](C)Oc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440765 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(C)C)c1)[C@@H](C2)C3=O ZINC000587440787 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(C)C)c1)[C@@H](C2)C3=O ZINC000587440790 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCCCC4)c1)[C@@H](C2)C3=O ZINC000587440998 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(N4CCCCC4)c1)[C@@H](C2)C3=O ZINC000587441000 EI Annotated Anodyne CCCOc1ccc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441061 EI Annotated Anodyne CCCOc1ccc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441066 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587441097 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587441101 EI Annotated Anodyne C=C(C)COc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441117 EI Annotated Mild C=C(C)COc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441120 EI Annotated Mild COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587441194 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587441196 EI Annotated Anodyne CCCc1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441755 EI Annotated Anodyne CCCc1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441757 EI Annotated Anodyne COc1ccc([C@@H](C)[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441857 EI Annotated Anodyne COc1ccc([C@H](C)[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441858 EI Annotated Anodyne COc1ccc([C@H](C)[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441859 EI Annotated Anodyne COc1ccc([C@@H](C)[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441860 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(C)C)c1)[C@@H](C2)C3=O ZINC000587441891 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(C)C)c1)[C@@H](C2)C3=O ZINC000587441892 EI Annotated Anodyne C=C(C)COc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441943 EI Annotated Mild C=C(C)COc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441944 EI Annotated Mild CCCOc1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441994 EI Annotated Anodyne CCCOc1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441995 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587442234 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587442235 EI Annotated Anodyne CCC[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442324 EI Annotated Anodyne CCC[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442326 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587442388 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587442389 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(C)C)[C@@H](C2)C3=O ZINC000587442429 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(C)C)[C@@H](C2)C3=O ZINC000587442430 EI Annotated Anodyne CCOc1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587442535 EI Annotated Anodyne CCOc1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587442536 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c(OC)c(C)c1C)[C@@H](C2)C3=O ZINC000587442789 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OC)c(C)c1C)[C@@H](C2)C3=O ZINC000587442790 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587442810 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587442812 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCCCOc1ccccc1)[C@@H](C2)C3=O ZINC000587442990 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCCOc1ccccc1)[C@@H](C2)C3=O ZINC000587442993 EI Annotated Anodyne CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587443094 EI Annotated Anodyne CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587443096 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1C)[C@@H](C2)C3=O ZINC000587443192 EI Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1C)[C@@H](C2)C3=O ZINC000587443196 EI Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(OC)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587443517 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587443520 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587443694 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587443702 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587443705 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H]1CCCc4ccccc41)[C@@H](C2)C3=O ZINC000587443710 EI Annotated Anodyne CCOc1ccc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443888 EI Annotated Anodyne CCOc1ccc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443889 EI Annotated Anodyne CC[C@@]1(c2cc(C)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443921 EI Annotated Anodyne CC[C@]1(c2cc(C)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443923 EI Annotated Anodyne CCCCOc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444086 EI Annotated Anodyne CCCCOc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444087 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O ZINC000587444180 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O ZINC000587444184 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4cc1OC)[C@@H](C2)C3=O ZINC000587444253 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4cc1OC)[C@@H](C2)C3=O ZINC000587444257 EI Annotated Anodyne CCOc1cc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587444494 EI Annotated Anodyne CCOc1cc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587444495 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC(C)C)c1)[C@@H](C2)C3=O ZINC000587444496 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(C)C)c1)[C@@H](C2)C3=O ZINC000587444497 EI Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC ZINC000587444508 EI Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC ZINC000587444509 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(C(C)C)[C@@H](C2)C3=O ZINC000587444547 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccccc1)(C(C)C)[C@@H](C2)C3=O ZINC000587444548 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1C)(C1CC1)[C@@H](C2)C3=O ZINC000587444650 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1C)(C1CC1)[C@@H](C2)C3=O ZINC000587444651 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)c(C)c1C)[C@@H](C2)C3=O ZINC000587444718 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)c(C)c1C)[C@@H](C2)C3=O ZINC000587444720 EI Annotated Anodyne CCCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587444848 EI Annotated Anodyne CCCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587444849 EI Annotated Anodyne COc1ccc([C@@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444964 EI Annotated Anodyne COc1ccc([C@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444965 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587445163 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587445166 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1CCCC4)[C@@H](C2)C3=O ZINC000587445260 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4c1CCCC4)[C@@H](C2)C3=O ZINC000587445262 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4cc1C=O)[C@@H](C2)C3=O ZINC000587445264 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4cc1C=O)[C@@H](C2)C3=O ZINC000587445267 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)c(C)c1)[C@@H](C2)C3=O ZINC000587445346 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)c(C)c1)[C@@H](C2)C3=O ZINC000587445347 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1(c4ccccc4)CCCC1)[C@@H](C2)C3=O ZINC000587445529 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1(c4ccccc4)CCCC1)[C@@H](C2)C3=O ZINC000587445531 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587445876 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587445881 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1cccc(C)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587446002 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1cccc(C)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587446003 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(C1CCC1)[C@@H](C2)C3=O ZINC000587446010 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(C1CCC1)[C@@H](C2)C3=O ZINC000587446011 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCCc1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587446063 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCc1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587446064 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(C1CC1)[C@@H](C2)C3=O ZINC000587446154 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(C1CC1)[C@@H](C2)C3=O ZINC000587446157 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587446195 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O ZINC000587446196 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c(C)ccc(C)c41)[C@@H](C2)C3=O ZINC000587446221 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c(C)ccc(C)c41)[C@@H](C2)C3=O ZINC000587446224 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4cccc5cccc1c45)[C@@H](C2)C3=O ZINC000587446260 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(Cc4cccc5cccc1c45)[C@@H](C2)C3=O ZINC000587446264 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)C4CCC4)c1)[C@@H](C2)C3=O ZINC000587446463 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)C4CCC4)c1)[C@@H](C2)C3=O ZINC000587446466 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1ccccc1C)[C@@H](C2)C3=O ZINC000587446474 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@@H]1c1ccccc1C)[C@@H](C2)C3=O ZINC000587446475 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1ccccc1C)[C@@H](C2)C3=O ZINC000587446477 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@H]1c1ccccc1C)[C@@H](C2)C3=O ZINC000587446478 EI Annotated Anodyne COc1cc2c3c(c1)OC(c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587446521 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587446670 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587446671 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587446674 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587446675 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c5c(cccc15)CC4)[C@@H](C2)C3=O ZINC000587446852 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c5c(cccc15)CC4)[C@@H](C2)C3=O ZINC000587446853 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC(C)(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587446884 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC(C)(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587446885 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587446967 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587446968 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587446969 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587446970 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587447069 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587447070 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587447071 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587447072 EI Annotated Anodyne COc1cc2c3c(c1)OC1(c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587447172 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587447195 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587447196 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4CCC1(C)C)[C@@H](C2)C3=O ZINC000587447221 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4CCC1(C)C)[C@@H](C2)C3=O ZINC000587447222 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc5ccccc5cc41)[C@@H](C2)C3=O ZINC000587447250 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc5ccccc5cc41)[C@@H](C2)C3=O ZINC000587447251 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587447387 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587447388 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587447389 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O ZINC000587447390 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCCc4ccccc41)[C@@H](C2)C3=O ZINC000587447817 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCCCc4ccccc41)[C@@H](C2)C3=O ZINC000587447818 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CCCCc4ccccc41)[C@@H](C2)C3=O ZINC000587447819 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CCCCc4ccccc41)[C@@H](C2)C3=O ZINC000587447820 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC=C(c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587447847 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC=C(c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587447848 EI Annotated Anodyne CCCC[C@]1(CCCCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447938 EI Annotated Anodyne CCCC[C@@]1(CCCCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447939 EI Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC[C@H]1Cc1ccccc1C4)[C@@H](C2)C3=O ZINC000587447970 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587448131 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587448135 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587448138 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587448139 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587448149 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587448150 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@](C)(c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587448152 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@](C)(c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587448153 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@](C)(c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587448154 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@](C)(c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587448155 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587448173 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587448174 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587448175 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587448176 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587448623 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587448624 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccs1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587448662 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587448663 EI Annotated Anodyne CC[C@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448677 EI Annotated Anodyne CC[C@@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448680 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCl)(c1cccs1)[C@@H](C2)C3=O ZINC000587448720 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1cccs1)[C@@H](C2)C3=O ZINC000587448722 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@H]1C[C@@H]1c1cccs1)[C@@H](C2)C3=O ZINC000587448755 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1cccs1)[C@@H](C2)C3=O ZINC000587448756 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587448782 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587448783 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O ZINC000587448794 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O ZINC000587448796 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccs1)[C@@H](C2)C3=O ZINC000587448800 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccs1)[C@@H](C2)C3=O ZINC000587448803 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)ccc1O)[C@@H](C2)C3=O ZINC000587448851 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)ccc1O)[C@@H](C2)C3=O ZINC000587448852 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(CC(C)C)s1)[C@@H](C2)C3=O ZINC000587448977 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(CC(C)C)s1)[C@@H](C2)C3=O ZINC000587448979 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(C)(C)C)cc1O)[C@@H](C2)C3=O ZINC000587449163 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(C)(C)C)cc1O)[C@@H](C2)C3=O ZINC000587449165 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4ccccc4c1O)[C@@H](C2)C3=O ZINC000587449227 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4ccccc4c1O)[C@@H](C2)C3=O ZINC000587449228 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N=C=S)cc1)[C@@H](C2)C3=O ZINC000587449268 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(N=C=S)cc1)[C@@H](C2)C3=O ZINC000587449273 EI Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc4nc(C)sc4c1)[C@@H](C2)C3=O ZINC000587449350 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4nc(C)sc4c1)[C@@H](C2)C3=O ZINC000587449354 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccccc4)s1)[C@@H](C2)C3=O ZINC000587449589 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccccc4)s1)[C@@H](C2)C3=O ZINC000587449594 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(C(C)C)nc1C)[C@@H](C2)C3=O ZINC000587449742 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(C(C)C)nc1C)[C@@H](C2)C3=O ZINC000587449746 EI Annotated Anodyne CCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587449780 EI Annotated Reactive CCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587449782 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(CCSc1ccccc1)[C@@H](C2)C3=O ZINC000587449810 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCSc1ccccc1)[C@@H](C2)C3=O ZINC000587449812 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)s1)(C(C)C)[C@@H](C2)C3=O ZINC000587449852 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)s1)(C(C)C)[C@@H](C2)C3=O ZINC000587449853 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C)Br)CC2=O ZINC000587450002 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C)Br)CC2=O ZINC000587450003 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)([C@H](C)Br)CC2=O ZINC000587450005 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](C)Br)CC2=O ZINC000587450006 EI Annotated Reactive CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(CC)c1O ZINC000587450014 EI Annotated Anodyne CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(CC)c1O ZINC000587450015 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(C)(C)C)c1O)[C@@H](C2)C3=O ZINC000587450043 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(C)(C)C)c1O)[C@@H](C2)C3=O ZINC000587450045 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](Br)C(C)C)CC2=O ZINC000587450053 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@@H](Br)C(C)C)CC2=O ZINC000587450060 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@H]([C@H](Br)C(C)C)CC2=O ZINC000587450061 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@H](Br)C(C)C)CC2=O ZINC000587450062 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cc4c(s1)CCCC4)[C@@H](C2)C3=O ZINC000587450109 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(s1)CCCC4)[C@@H](C2)C3=O ZINC000587450110 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O ZINC000587450240 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O ZINC000587450243 EI Annotated Anodyne CCSc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587450428 EI Annotated Anodyne CCSc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587450429 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)CC[C@@H]1C(C)(C)S)[C@@H](C2)C3=O ZINC000587450446 EI Annotated Mild COc1cc2c3c(c1)O[C@]1(C[C@@H](C)CC[C@H]1C(C)(C)S)[C@@H](C2)C3=O ZINC000587450447 EI Annotated Mild COc1cc2c3c(c1)O[C@]1(C[C@@H](C)CC[C@@H]1C(C)(C)S)[C@@H](C2)C3=O ZINC000587450448 EI Annotated Mild COc1cc2c3c(c1)O[C@]1(C[C@H](C)CC[C@H]1C(C)(C)S)[C@@H](C2)C3=O ZINC000587450449 EI Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccsc4)nc1)[C@@H](C2)C3=O ZINC000587450532 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccsc4)nc1)[C@@H](C2)C3=O ZINC000587450534 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1-c1ccsc1)[C@@H](C2)C3=O ZINC000587450635 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1-c1ccsc1)[C@@H](C2)C3=O ZINC000587450636 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)Sc1ccccc1)[C@@H](C2)C3=O ZINC000587450745 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)Sc1ccccc1)[C@@H](C2)C3=O ZINC000587450747 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CSc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587450910 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CSc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587450914 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS[C@@H](c4cccs4)C1)[C@@H](C2)C3=O ZINC000587450973 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS[C@H](c4cccs4)C1)[C@@H](C2)C3=O ZINC000587450974 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS[C@@H](c4cccs4)C1)[C@@H](C2)C3=O ZINC000587450975 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS[C@H](c4cccs4)C1)[C@@H](C2)C3=O ZINC000587450976 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N=C=S)c1)[C@@H](C2)C3=O ZINC000587451038 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cccc(N=C=S)c1)[C@@H](C2)C3=O ZINC000587451039 EI Annotated Reactive CCSc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451051 EI Annotated Anodyne CCSc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451052 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4sc(C)nc4c1)[C@@H](C2)C3=O ZINC000587451066 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4sc(C)nc4c1)[C@@H](C2)C3=O ZINC000587451068 EI Annotated Anodyne CC[C@@]1(c2cc(C)sc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451106 EI Annotated Anodyne CC[C@]1(c2cc(C)sc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451108 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4sccc4s1)[C@@H](C2)C3=O ZINC000587451120 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4sccc4s1)[C@@H](C2)C3=O ZINC000587451127 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O ZINC000587451185 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O ZINC000587451187 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c4ccccc14)[C@@H](C2)C3=O ZINC000587451223 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)c4ccccc14)[C@@H](C2)C3=O ZINC000587451224 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccsc1N)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587451687 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccsc1N)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587451688 EI Annotated Anodyne CCCC[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451781 EI Annotated Anodyne CCCC[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451782 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(C)C)(c1ccoc1)[C@@H](C2)C3=O ZINC000587451989 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(C)C)(c1ccoc1)[C@@H](C2)C3=O ZINC000587451992 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C1/CCCO1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452059 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C1/CCCO1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452060 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C1\CCCO1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452061 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C1\CCCO1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587452062 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@H]4CCCCO4)o1)[C@@H](C2)C3=O ZINC000587452104 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@H]4CCCCO4)o1)[C@@H](C2)C3=O ZINC000587452107 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H]4CCCCO4)o1)[C@@H](C2)C3=O ZINC000587452110 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@@H]4CCCCO4)o1)[C@@H](C2)C3=O ZINC000587452111 EI Annotated Anodyne CCCc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587452199 EI Annotated Anodyne CCCc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587452212 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1SC)[C@@H](C2)C3=O ZINC000587452293 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1SC)[C@@H](C2)C3=O ZINC000587452296 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452343 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452345 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)cc(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587452358 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(O)cc(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587452359 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCSc4ccccc41)[C@@H](C2)C3=O ZINC000587452395 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCSc4ccccc41)[C@@H](C2)C3=O ZINC000587452398 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc4c(C)nccc14)[C@@H](C2)C3=O ZINC000587452477 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc4c(C)nccc14)[C@@H](C2)C3=O ZINC000587452478 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1C)[C@@H](C2)C3=O ZINC000587452505 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1C)[C@@H](C2)C3=O ZINC000587452506 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(C4CC4)nc1C)[C@@H](C2)C3=O ZINC000587452641 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(C4CC4)nc1C)[C@@H](C2)C3=O ZINC000587452644 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(C)(C)C)o1)[C@@H](C2)C3=O ZINC000587452653 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(C)(C)C)o1)[C@@H](C2)C3=O ZINC000587452658 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587452666 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587452667 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(CCl)cs1)[C@@H](C2)C3=O ZINC000587452711 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cc(CCl)cs1)[C@@H](C2)C3=O ZINC000587452715 EI Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCc4sc5ccccc5c41)[C@@H](C2)C3=O ZINC000587452925 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4sc5ccccc5c41)[C@@H](C2)C3=O ZINC000587452932 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(SC)cc41)[C@@H](C2)C3=O ZINC000587452937 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(SC)cc41)[C@@H](C2)C3=O ZINC000587452942 EI Annotated Anodyne CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1C ZINC000587453062 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587453064 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587453065 EI Annotated Anodyne CC[C@@H]1S[C@H](C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1C ZINC000587453069 EI Annotated Anodyne CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1C ZINC000587453071 EI Annotated Anodyne CC[C@@H]1S[C@H](C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1C ZINC000587453073 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)Sc4ccccc41)[C@@H](C2)C3=O ZINC000587453123 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)Sc4ccccc41)[C@@H](C2)C3=O ZINC000587453124 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C)Sc4ccccc41)[C@@H](C2)C3=O ZINC000587453125 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C)Sc4ccccc41)[C@@H](C2)C3=O ZINC000587453126 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587453129 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587453130 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453205 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453206 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453207 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453208 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccs4)n1)[C@@H](C2)C3=O ZINC000587453228 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccs4)n1)[C@@H](C2)C3=O ZINC000587453231 EI Annotated Anodyne CCSc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453346 EI Annotated Anodyne CCSc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453349 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4nccs4)c1)[C@@H](C2)C3=O ZINC000587453370 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4nccs4)c1)[C@@H](C2)C3=O ZINC000587453372 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1SC)[C@@H](C2)C3=O ZINC000587453401 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1SC)[C@@H](C2)C3=O ZINC000587453403 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccsc4)n1)[C@@H](C2)C3=O ZINC000587453421 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccsc4)n1)[C@@H](C2)C3=O ZINC000587453423 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)Br)CC2=O ZINC000587453489 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)Br)CC2=O ZINC000587453493 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc4c1CCCC4)[C@@H](C2)C3=O ZINC000587453526 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc4c1CCCC4)[C@@H](C2)C3=O ZINC000587453529 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4SC[C@H]1C)[C@@H](C2)C3=O ZINC000587453533 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4SC[C@@H]1C)[C@@H](C2)C3=O ZINC000587453537 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4SC[C@H]1C)[C@@H](C2)C3=O ZINC000587453542 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4SC[C@@H]1C)[C@@H](C2)C3=O ZINC000587453545 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCl)(c1cccs1)[C@@H](C2)C3=O ZINC000587453710 EI Annotated Reactive COc1cc2c3c(c1)O[C@](CCCCl)(c1cccs1)[C@@H](C2)C3=O ZINC000587453721 EI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(O)cc4ccccc14)[C@@H](C2)C3=O ZINC000587453734 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)cc4ccccc14)[C@@H](C2)C3=O ZINC000587453735 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccco1)[C@@H](C2)C3=O ZINC000587453762 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccco1)[C@@H](C2)C3=O ZINC000587453763 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)sc1C)[C@@H](C2)C3=O ZINC000587453916 EI Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)sc1C)[C@@H](C2)C3=O ZINC000587453919 EI Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C[C@H](C)Sc4sccc41)[C@@H](C2)C3=O ZINC000587453946 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)Sc4sccc41)[C@@H](C2)C3=O ZINC000587453950 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C4CCCC4)s1)[C@@H](C2)C3=O ZINC000587453991 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C4CCCC4)s1)[C@@H](C2)C3=O ZINC000587453994 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587454318 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587454319 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1nccs1)[C@@H](C2)C3=O ZINC000587454376 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1nccs1)[C@@H](C2)C3=O ZINC000587454377 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)c4ccsc4c1)[C@@H](C2)C3=O ZINC000587454523 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(O)c4ccsc4c1)[C@@H](C2)C3=O ZINC000587454524 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O ZINC000587454586 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O ZINC000587454587 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4nccs4)cc1)[C@@H](C2)C3=O ZINC000587454689 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nccs4)cc1)[C@@H](C2)C3=O ZINC000587454690 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCC4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454819 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCC4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454820 EI Annotated Anodyne CCc1oc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455293 EI Annotated Anodyne CCc1oc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455294 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)o1)[C@@H](C2)C3=O ZINC000587455652 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)o1)[C@@H](C2)C3=O ZINC000587455653 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4ccccc4o1)(C1CC1)[C@@H](C2)C3=O ZINC000587455666 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4ccccc4o1)(C1CC1)[C@@H](C2)C3=O ZINC000587455667 EI Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4occ(C)c41)[C@@H](C2)C3=O ZINC000587455713 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4occ(C)c41)[C@@H](C2)C3=O ZINC000587455714 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccco4)cc1)[C@@H](C2)C3=O ZINC000587455735 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccco4)cc1)[C@@H](C2)C3=O ZINC000587455736 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)o1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587455739 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)o1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587455740 EI Annotated Anodyne CCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455887 EI Annotated Anodyne CCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455893 EI Annotated Anodyne CCC[C@@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455894 EI Annotated Anodyne CCC[C@@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455895 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)co1)[C@@H](C2)C3=O ZINC000587456204 EI Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)co1)[C@@H](C2)C3=O ZINC000587456205 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)o1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587456214 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)o1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587456215 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCCBr)CC2=O ZINC000587456368 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CCCBr)CC2=O ZINC000587456369 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)C)CC2=O ZINC000587456376 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(C)C)CC2=O ZINC000587456378 EI Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccco4)c1)[C@@H](C2)C3=O ZINC000587456403 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccco4)c1)[C@@H](C2)C3=O ZINC000587456405 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4ccc(C)cc4o1)[C@@H](C2)C3=O ZINC000587456460 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4ccc(C)cc4o1)[C@@H](C2)C3=O ZINC000587456462 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccco1)[C@@H](C2)C3=O ZINC000587456974 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccco1)[C@@H](C2)C3=O ZINC000587456981 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O ZINC000587457150 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O ZINC000587457151 EI Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O ZINC000587457152 EI Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O ZINC000587457153 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(C(Cl)Cl)CC2=O ZINC000587457951 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(C(Cl)Cl)CC2=O ZINC000587457952 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CC1(Cl)Cl)CC2=O ZINC000587458349 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC1(Cl)Cl)CC2=O ZINC000587458353 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC1(Cl)Cl)CC2=O ZINC000587458354 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC1(Cl)Cl)CC2=O ZINC000587458355 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1OC)CC2=O ZINC000587458440 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1OC)CC2=O ZINC000587458450 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(N)c1)CC2=O ZINC000587458473 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(N)c1)CC2=O ZINC000587458474 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(CCl)ccc1O)CC2=O ZINC000587458620 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(CCl)ccc1O)CC2=O ZINC000587458622 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(O)cc1)CC2=O ZINC000587458649 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(O)cc1)CC2=O ZINC000587458652 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccn1)CC2=O ZINC000587458743 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccn1)CC2=O ZINC000587458749 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1O)CC2=O ZINC000587459161 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1O)CC2=O ZINC000587459162 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nn(CC)cc1Cl)CC2=O ZINC000587459516 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nn(CC)cc1Cl)CC2=O ZINC000587459518 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C)nc1Cl)CC2=O ZINC000587459634 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)nc1Cl)CC2=O ZINC000587459637 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)cc1Cl)CC2=O ZINC000587459964 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)cc1Cl)CC2=O ZINC000587459972 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)cc1C)CC2=O ZINC000587460126 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1C)CC2=O ZINC000587460127 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1N)CC2=O ZINC000587460322 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1N)CC2=O ZINC000587460325 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)ccc1C)CC2=O ZINC000587460372 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)ccc1C)CC2=O ZINC000587460373 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)noc1C)CC2=O ZINC000587460383 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)noc1C)CC2=O ZINC000587460387 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)cc1NC)CC2=O ZINC000587460439 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1NC)CC2=O ZINC000587460450 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1OC)CC2=O ZINC000587460757 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1OC)CC2=O ZINC000587460759 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CC)nn(C)c1Cl)CC2=O ZINC000587460899 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CC)nn(C)c1Cl)CC2=O ZINC000587460901 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cc1N)CC2=O ZINC000587461069 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cc1N)CC2=O ZINC000587461071 EI Annotated Anodyne CCCc1c(O)ccc2c1OC(CCCl)(CCCl)CC2=O ZINC000587461206 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1oc(C)nc1C)CC2=O ZINC000587461243 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1oc(C)nc1C)CC2=O ZINC000587461244 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1C)CC2=O ZINC000587461285 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1C)CC2=O ZINC000587461286 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3nc(Cl)ccc31)CC2=O ZINC000587461458 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3nc(Cl)ccc31)CC2=O ZINC000587461461 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(Cl)c1)CC2=O ZINC000587461532 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(Cl)c1)CC2=O ZINC000587461535 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(Cl)nc31)CC2=O ZINC000587461589 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(Cl)nc31)CC2=O ZINC000587461591 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(OC)ccc1Cl)CC2=O ZINC000587461670 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(OC)ccc1Cl)CC2=O ZINC000587461673 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)[nH]c1C)CC2=O ZINC000587461802 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)[nH]c1C)CC2=O ZINC000587461804 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccnc1Cl)CC2=O ZINC000587461864 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccnc1Cl)CC2=O ZINC000587461866 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1N)CC2=O ZINC000587462243 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1N)CC2=O ZINC000587462244 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(CCCCl)CC2=O ZINC000587462423 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(CCCCl)CC2=O ZINC000587462426 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)nc1)CC2=O ZINC000587462503 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)nc1)CC2=O ZINC000587462504 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)C(F)(F)F)CC2=O ZINC000587462523 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)C(F)(F)F)CC2=O ZINC000587462524 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@@H]1Cl ZINC000587462562 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@@H]1Cl ZINC000587462564 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@H]1Cl ZINC000587462567 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@H]1Cl ZINC000587462700 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCC(C=O)=C1Cl)CC2=O ZINC000587462806 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCC(C=O)=C1Cl)CC2=O ZINC000587462809 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cnn1CC)CC2=O ZINC000587462817 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cnn1CC)CC2=O ZINC000587462818 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1Cl)CC2=O ZINC000587462845 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1Cl)CC2=O ZINC000587462846 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cn1)CC2=O ZINC000587462877 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cn1)CC2=O ZINC000587462878 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCC(C=O)=C1Cl)CC2=O ZINC000587463000 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCC(C=O)=C1Cl)CC2=O ZINC000587463001 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(C)cnc1Cl)CC2=O ZINC000587463073 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cnc1Cl)CC2=O ZINC000587463074 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1N)CC2=O ZINC000587463139 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1N)CC2=O ZINC000587463140 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)c(C)nn1CC)CC2=O ZINC000587463167 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)c(C)nn1CC)CC2=O ZINC000587463168 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1C)CC2=O ZINC000587463284 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1C)CC2=O ZINC000587463285 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1OC)CC2=O ZINC000587463314 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1OC)CC2=O ZINC000587463315 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1N)CC2=O ZINC000587463763 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1N)CC2=O ZINC000587463764 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](F)C#N)CC2=O ZINC000587464366 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](F)C#N)CC2=O ZINC000587464367 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](F)C#N)CC2=O ZINC000587464368 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](F)C#N)CC2=O ZINC000587464369 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(C#N)c1F)CC2=O ZINC000587464794 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(C#N)c1F)CC2=O ZINC000587464795 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(OC)cc1F)CC2=O ZINC000587464810 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(OC)cc1F)CC2=O ZINC000587464811 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(N)c(F)c1)CC2=O ZINC000587464838 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(N)c(F)c1)CC2=O ZINC000587464839 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(C#N)cc1F)CC2=O ZINC000587464850 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(C#N)cc1F)CC2=O ZINC000587464851 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1[N+](=O)[O-])CC2=O ZINC000587464984 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1[N+](=O)[O-])CC2=O ZINC000587464985 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(O)cc1F)CC2=O ZINC000587465008 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(O)cc1F)CC2=O ZINC000587465009 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCF)cc1)CC2=O ZINC000587465062 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(F)cc1)CC2=O ZINC000587465077 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(F)cc1)CC2=O ZINC000587465079 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1C#N)CC2=O ZINC000587465113 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1C#N)CC2=O ZINC000587465115 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c([N+](=O)[O-])c1)CC2=O ZINC000587465125 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c([N+](=O)[O-])c1)CC2=O ZINC000587465126 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(F)c(C)c1)CC2=O ZINC000587465191 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(F)c(C)c1)CC2=O ZINC000587465194 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1F)CC2=O ZINC000587465235 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCF)cc1)CC2=O ZINC000587465247 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(O)c1F)CC2=O ZINC000587465282 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(O)c1F)CC2=O ZINC000587465283 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(F)(F)C[C@H]1C#N)CC2=O ZINC000587465306 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCC(F)(F)C[C@@H]1C#N)CC2=O ZINC000587465307 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCC(F)(F)C[C@H]1C#N)CC2=O ZINC000587465308 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC(F)(F)C[C@@H]1C#N)CC2=O ZINC000587465309 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(F)c1F)CC2=O ZINC000587465316 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(F)c1F)CC2=O ZINC000587465317 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(N)cc(F)cc1F)CC2=O ZINC000587465320 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)cc(F)cc1F)CC2=O ZINC000587465321 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1F)CC2=O ZINC000587465345 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1F)CC2=O ZINC000587465352 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1F)CC2=O ZINC000587465353 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O)c1F)CC2=O ZINC000587465397 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O)c1F)CC2=O ZINC000587465399 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1F)CC2=O ZINC000587465400 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1F)CC2=O ZINC000587465401 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1OC)CC2=O ZINC000587465472 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1OC)CC2=O ZINC000587465474 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1OC)CC2=O ZINC000587465497 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1OC)CC2=O ZINC000587465499 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(F)F)CC2=O ZINC000587465582 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(F)F)CC2=O ZINC000587465583 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(F)c1F)CC2=O ZINC000587465590 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(F)c1F)CC2=O ZINC000587465591 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C#N)ccc1F)CC2=O ZINC000587465620 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C#N)ccc1F)CC2=O ZINC000587465622 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C#N)cc1F)CC2=O ZINC000587465641 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C#N)cc1F)CC2=O ZINC000587465645 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccnc1Cl)CC2=O ZINC000587465661 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccnc1Cl)CC2=O ZINC000587465662 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1F)CC2=O ZINC000587465665 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1F)CC2=O ZINC000587465667 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1OC)CC2=O ZINC000587465702 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1OC)CC2=O ZINC000587465703 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](Cc1ccc(F)cc1F)CC2=O ZINC000587465727 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(F)cc1F)CC2=O ZINC000587465728 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(Cl)cc1F)CC2=O ZINC000587465817 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(Cl)cc1F)CC2=O ZINC000587465819 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C#N)c(F)c1)CC2=O ZINC000587465842 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C#N)c(F)c1)CC2=O ZINC000587465844 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1F)CC2=O ZINC000587465978 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1F)CC2=O ZINC000587465980 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc(F)c1F)CC2=O ZINC000587465985 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc(F)c1F)CC2=O ZINC000587465986 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccc1F)CC2=O ZINC000587466085 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccc1F)CC2=O ZINC000587466087 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(F)c1OC)CC2=O ZINC000587466133 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(F)c1OC)CC2=O ZINC000587466134 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(F)c1F)CC2=O ZINC000587466135 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(F)c1F)CC2=O ZINC000587466136 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc(F)c1)CC2=O ZINC000587466198 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc(F)c1)CC2=O ZINC000587466199 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1OC)CC2=O ZINC000587466212 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1OC)CC2=O ZINC000587466213 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(F)c1OC)CC2=O ZINC000587466214 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(F)c1OC)CC2=O ZINC000587466215 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccccc1F)CC2=O ZINC000587466269 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccccc1F)CC2=O ZINC000587466270 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(F)c1O)CC2=O ZINC000587466285 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(F)c1O)CC2=O ZINC000587466287 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(F)c1F)CC2=O ZINC000587466306 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(F)c1F)CC2=O ZINC000587466308 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(O)c(F)c1)CC2=O ZINC000587466425 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(O)c(F)c1)CC2=O ZINC000587466428 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(F)cc1OC)CC2=O ZINC000587466483 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(F)cc1OC)CC2=O ZINC000587466485 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(F)cc1)CC2=O ZINC000587466510 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(F)cc1)CC2=O ZINC000587466512 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)cc1OC)CC2=O ZINC000587466546 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)cc1OC)CC2=O ZINC000587466547 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)oc1C)CC2=O ZINC000587466603 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)oc1C)CC2=O ZINC000587466604 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(OC)c1F)CC2=O ZINC000587466626 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(OC)c1F)CC2=O ZINC000587466627 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1[N+](=O)[O-])CC2=O ZINC000587466680 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1[N+](=O)[O-])CC2=O ZINC000587466682 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N=C=O)c1)CC2=O ZINC000587466687 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N=C=O)c1)CC2=O ZINC000587466690 EI Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)CC(C#N)(c2ccccc2)C1 ZINC000587466754 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccccc1F)CC2=O ZINC000587466826 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccccc1F)CC2=O ZINC000587466828 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(C)c1O)CC2=O ZINC000587466858 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(C)c1O)CC2=O ZINC000587466862 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1OC)CC2=O ZINC000587466931 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1OC)CC2=O ZINC000587466932 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1O)CC2=O ZINC000587466939 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1O)CC2=O ZINC000587466940 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)cc1F)CC2=O ZINC000587466987 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)cc1F)CC2=O ZINC000587466988 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(F)c1)CC2=O ZINC000587466991 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(F)c1)CC2=O ZINC000587466992 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)ccc1F)CC2=O ZINC000587467013 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)ccc1F)CC2=O ZINC000587467014 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1F)CC2=O ZINC000587467030 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1F)CC2=O ZINC000587467032 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(O)c1F)CC2=O ZINC000587467086 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(O)c1F)CC2=O ZINC000587467087 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(C#N)ccc31)CC2=O ZINC000587467112 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(C#N)ccc31)CC2=O ZINC000587467113 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(C#N)ccc31)CC2=O ZINC000587467183 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCc3cc(C#N)ccc31)CC2=O ZINC000587467184 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(C)cc1)CC2=O ZINC000587467191 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(C)cc1)CC2=O ZINC000587467193 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@H](C#N)c1ccccc1)CC2=O ZINC000587467195 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C#N)c1ccccc1)CC2=O ZINC000587467198 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@H](C#N)c1ccccc1)CC2=O ZINC000587467199 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@H](C#N)c1ccccc1)CC2=O ZINC000587467200 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1OC)CC2=O ZINC000587467226 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1OC)CC2=O ZINC000587467227 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1OC)CC2=O ZINC000587467279 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1OC)CC2=O ZINC000587467280 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1C#N)CC2=O ZINC000587467297 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1C#N)CC2=O ZINC000587467298 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1[N+](=O)[O-])CC2=O ZINC000587467311 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1[N+](=O)[O-])CC2=O ZINC000587467313 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](CC#N)(C1CC(F)(F)C1)CC2=O ZINC000587467347 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(C1CC(F)(F)C1)CC2=O ZINC000587467348 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1OC)CC2=O ZINC000587467365 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1OC)CC2=O ZINC000587467366 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#N)cc1F)CC2=O ZINC000587467384 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(C#N)cc1F)CC2=O ZINC000587467385 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(C#N)c1)CC2=O ZINC000587467388 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(C#N)c1)CC2=O ZINC000587467389 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(F)c1)CC2=O ZINC000587467425 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(F)c1)CC2=O ZINC000587467426 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1N(C)C)CC2=O ZINC000587467573 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N(C)C)CC2=O ZINC000587467578 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C#N)cc1)CC2=O ZINC000587467581 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C#N)cc1)CC2=O ZINC000587467588 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C(N(C)C)CC(C)(C)C1)CC2=O ZINC000587467659 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(N(C)C)CC(C)(C)C1)CC2=O ZINC000587467660 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C#N)c1ccc(C)cc1)CC2=O ZINC000587467707 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@@H](C#N)c1ccc(C)cc1)CC2=O ZINC000587467711 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@H](C#N)c1ccc(C)cc1)CC2=O ZINC000587467713 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H]([C@H](C#N)c1ccc(C)cc1)CC2=O ZINC000587467716 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(C(=O)c1ccc(F)cc1)CC2=O ZINC000587467813 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(=O)c1ccc(F)cc1)CC2=O ZINC000587467814 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc(Cl)c1F)CC2=O ZINC000587467815 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Cl)c1F)CC2=O ZINC000587467816 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(F)c1)CC2=O ZINC000587467864 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(F)c1)CC2=O ZINC000587467865 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(F)cc1F)CC2=O ZINC000587467899 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(F)cc1F)CC2=O ZINC000587467901 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(F)c1)CC2=O ZINC000587467919 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1F)CC2=O ZINC000587467920 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1F)CC2=O ZINC000587467922 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(O)c(F)c1)CC2=O ZINC000587467923 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(O)c(F)c1)CC2=O ZINC000587467926 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1F)CC2=O ZINC000587467961 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1F)CC2=O ZINC000587467962 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccc(F)c1F)CC2=O ZINC000587467981 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccc(F)c1F)CC2=O ZINC000587467982 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1F)CC2=O ZINC000587467991 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1F)CC2=O ZINC000587467992 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(OC)cc1F)CC2=O ZINC000587468025 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(OC)cc1F)CC2=O ZINC000587468026 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(C#N)c31)CC2=O ZINC000587468080 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(C#N)c31)CC2=O ZINC000587468082 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587468134 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587468140 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)cc1N)CC2=O ZINC000587468157 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)cc1N)CC2=O ZINC000587468160 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC)CC2=O ZINC000587468220 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC)CC2=O ZINC000587468226 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC(C)C)CN(C)C)CC2=O ZINC000587468239 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC(C)C)CN(C)C)CC2=O ZINC000587468241 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](CC(C)C)CN(C)C)CC2=O ZINC000587468243 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC(C)C)CN(C)C)CC2=O ZINC000587468244 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(F)c1)CC2=O ZINC000587468305 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(OC)c1)CC2=O ZINC000587468322 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(OC)c1)CC2=O ZINC000587468325 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Cl)cc1F)CC2=O ZINC000587468326 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Cl)cc1F)CC2=O ZINC000587468330 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)nc1)CC2=O ZINC000587468489 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)nc1)CC2=O ZINC000587468493 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)ccc1F)CC2=O ZINC000587468507 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)ccc1F)CC2=O ZINC000587468509 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)cc1[N+](=O)[O-])CC2=O ZINC000587468608 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(C)cc1[N+](=O)[O-])CC2=O ZINC000587468610 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C#N)cc1)CC2=O ZINC000587468618 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C#N)cc1)CC2=O ZINC000587468630 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C#N)CCCC1(C)C ZINC000587468650 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C#N)CCCC1(C)C ZINC000587468653 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C#N)CCCC1(C)C ZINC000587468661 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C#N)CCCC1(C)C ZINC000587468662 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)cn1)CC2=O ZINC000587468707 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)cn1)CC2=O ZINC000587468711 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c(N)c1)CC2=O ZINC000587468907 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c(N)c1)CC2=O ZINC000587468909 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1N(CC)CC)CC2=O ZINC000587469078 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1N(CC)CC)CC2=O ZINC000587469079 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1N(CC)CC)CC2=O ZINC000587469080 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1N(CC)CC)CC2=O ZINC000587469081 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1NC(C)=O)CC2=O ZINC000587469112 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1NC(C)=O)CC2=O ZINC000587469113 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(F)cc1)CC2=O ZINC000587469150 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(F)cc1)CC2=O ZINC000587469151 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC#N)(c1ccco1)CC2=O ZINC000587469204 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCC#N)(c1ccco1)CC2=O ZINC000587469209 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](CCc1ccccc1F)CC2=O ZINC000587469238 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccccc1F)CC2=O ZINC000587469239 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccccc1C)CC2=O ZINC000587469255 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccccc1C)CC2=O ZINC000587469256 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(CCCN(CC)CC)CC2=O ZINC000587469269 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCN(CC)CC)CC2=O ZINC000587469270 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N(C)C)c1)CC2=O ZINC000587469279 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N(C)C)c1)CC2=O ZINC000587469280 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1ccnc1)CC2=O ZINC000587469323 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1ccnc1)CC2=O ZINC000587469324 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc(C)c1)CC2=O ZINC000587469338 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc(C)c1)CC2=O ZINC000587469340 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1[nH]c3nccc-3cc1F)CC2=O ZINC000587469426 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3nccc-3cc1F)CC2=O ZINC000587469429 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)cc(F)c31)CC2=O ZINC000587469539 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)cc(F)c31)CC2=O ZINC000587469540 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3ccc(F)cc31)CC2=O ZINC000587469552 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3ccc(F)cc31)CC2=O ZINC000587469554 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1N(C)C)CC2=O ZINC000587469760 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1N(C)C)CC2=O ZINC000587469761 EI Annotated Anodyne CCCCn1ccnc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587469815 EI Annotated Anodyne CCCCn1ccnc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587469816 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccnc1)CC2=O ZINC000587469827 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccnc1)CC2=O ZINC000587469828 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C)n(C)c1C)CC2=O ZINC000587469873 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C)n(C)c1C)CC2=O ZINC000587469874 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N=O)CC2=O ZINC000587469886 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N=O)CC2=O ZINC000587469887 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N=O)CC2=O ZINC000587469888 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N=O)CC2=O ZINC000587469889 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1occc1C)CC2=O ZINC000587469930 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1occc1C)CC2=O ZINC000587469931 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccccc21 ZINC000587469982 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccccc21 ZINC000587469984 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(F)sc1C=O)CC2=O ZINC000587470111 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)sc1C=O)CC2=O ZINC000587470113 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccn1)CC2=O ZINC000587470114 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccn1)CC2=O ZINC000587470116 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)cnc1Cl)CC2=O ZINC000587470232 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cnc1Cl)CC2=O ZINC000587470233 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)c[nH]c3nccc1-3)CC2=O ZINC000587470268 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)c[nH]c3nccc1-3)CC2=O ZINC000587470270 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(C)o1)CC2=O ZINC000587470592 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(C)o1)CC2=O ZINC000587470593 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN(CC)CC)CC2=O ZINC000587470622 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN(CC)CC)CC2=O ZINC000587470623 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N=C=O)cc1)CC2=O ZINC000587470638 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N=C=O)cc1)CC2=O ZINC000587470639 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(C#N)cc31)CC2=O ZINC000587470674 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(C#N)cc31)CC2=O ZINC000587470675 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(F)cc1Cl)CC2=O ZINC000587470710 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncc(F)cc1Cl)CC2=O ZINC000587470711 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccncc1)CC2=O ZINC000587470827 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccncc1)CC2=O ZINC000587470829 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nccn1-c1ccccc1)CC2=O ZINC000587470830 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nccn1-c1ccccc1)CC2=O ZINC000587470832 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N(C)C)cc1)CC2=O ZINC000587471003 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N(C)C)cc1)CC2=O ZINC000587471004 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(C(C)(C)C)CC2=O ZINC000587471100 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C(C)(C)C)CC2=O ZINC000587471101 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(C(C)(C)C)CC2=O ZINC000587471102 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(C(C)(C)C)CC2=O ZINC000587471103 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(C#N)cccc31)CC2=O ZINC000587471118 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCc3c(C#N)cccc31)CC2=O ZINC000587471119 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(F)cc31)CC2=O ZINC000587471222 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(F)cc31)CC2=O ZINC000587471224 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)ccc31)CC2=O ZINC000587471292 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)ccc31)CC2=O ZINC000587471294 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cncc(F)c1)(C1CC1)CC2=O ZINC000587471334 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cncc(F)c1)(C1CC1)CC2=O ZINC000587471336 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(F)cc13)CC2=O ZINC000587471597 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(F)cc13)CC2=O ZINC000587471599 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3cccc(F)c31)CC2=O ZINC000587471601 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3cccc(F)c31)CC2=O ZINC000587471604 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(F)ccc31)CC2=O ZINC000587471717 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(F)ccc31)CC2=O ZINC000587471718 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CC)c1C)CC2=O ZINC000587471777 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CC)c1C)CC2=O ZINC000587471778 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC)c1)CC2=O ZINC000587471883 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC)c1)CC2=O ZINC000587471884 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)cccc31)CC2=O ZINC000587471948 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)cccc31)CC2=O ZINC000587471949 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)ccc(F)c31)CC2=O ZINC000587471957 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)ccc(F)c31)CC2=O ZINC000587471958 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1F)CC2=O ZINC000587471963 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1F)CC2=O ZINC000587471964 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(F)ccc31)CC2=O ZINC000587471989 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(F)ccc31)CC2=O ZINC000587471990 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(F)cc31)CC2=O ZINC000587472034 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(F)cc31)CC2=O ZINC000587472035 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(/C=N/Nc1ccccc1)CC2=O ZINC000587472174 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(/C=N/Nc1ccccc1)CC2=O ZINC000587472175 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC)cc1)CC2=O ZINC000587472229 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC)cc1)CC2=O ZINC000587472230 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nc(F)ccc13)CC2=O ZINC000587472425 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nc(F)ccc13)CC2=O ZINC000587472426 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(F)cc13)CC2=O ZINC000587472437 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(F)cc13)CC2=O ZINC000587472438 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)cccc31)CC2=O ZINC000587472459 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)cccc31)CC2=O ZINC000587472460 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)cnc1Cl)CC2=O ZINC000587472463 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)cnc1Cl)CC2=O ZINC000587472464 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1C)CC2=O ZINC000587472519 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1C)CC2=O ZINC000587472520 EI Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(F)cc3C1)CC2=O ZINC000587472591 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(F)cc3C1)CC2=O ZINC000587472592 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(F)cn1)CC2=O ZINC000587472599 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(F)cn1)CC2=O ZINC000587472600 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1F)CC2=O ZINC000587472626 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1F)CC2=O ZINC000587472627 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(F)cc3[nH]1)CC2=O ZINC000587472632 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(F)cc3[nH]1)CC2=O ZINC000587472633 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(F)c3F)CC2=O ZINC000587472665 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(F)c3F)CC2=O ZINC000587472666 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(F)c31)CC2=O ZINC000587472687 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(F)c31)CC2=O ZINC000587472688 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)ccc3C1)CC2=O ZINC000587472799 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)ccc3C1)CC2=O ZINC000587472800 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)cc(F)cc31)CC2=O ZINC000587472836 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(N)cc31)CC2=O ZINC000587472837 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(N)cc31)CC2=O ZINC000587472838 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)cc(F)cc31)CC2=O ZINC000587472839 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(F)cc31)CC2=O ZINC000587472858 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(F)cc31)CC2=O ZINC000587472860 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)c(F)cc31)CC2=O ZINC000587472874 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)c(F)cc31)CC2=O ZINC000587472876 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3c(F)cccc31)CC2=O ZINC000587472879 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3c(F)cccc31)CC2=O ZINC000587472881 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(F)cc1Cl)CC2=O ZINC000587472948 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(F)cc1Cl)CC2=O ZINC000587472949 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1[N+](=O)[O-])CC2=O ZINC000587473090 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1[N+](=O)[O-])CC2=O ZINC000587473091 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473137 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587473138 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ncc1F)CC2=O ZINC000587473166 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ncc1F)CC2=O ZINC000587473168 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cn1)(C(C)C)CC2=O ZINC000587473210 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cn1)(C(C)C)CC2=O ZINC000587473214 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3cccc(N)c31)CC2=O ZINC000587473241 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cccc(N)c31)CC2=O ZINC000587473244 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ncc1Cl)CC2=O ZINC000587473301 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ncc1Cl)CC2=O ZINC000587473302 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)cc1C)CC2=O ZINC000587473355 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)cc1C)CC2=O ZINC000587473356 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(N)ccc31)CC2=O ZINC000587473381 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(N)ccc31)CC2=O ZINC000587473382 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1[N+](=O)[O-])CC2=O ZINC000587473385 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1[N+](=O)[O-])CC2=O ZINC000587473386 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1C)CC2=O ZINC000587473397 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1C)CC2=O ZINC000587473398 EI Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cccc1N)CC2=O ZINC000587473514 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cccc1N)CC2=O ZINC000587473515 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1N)(C(C)C)CC2=O ZINC000587473522 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1N)(C(C)C)CC2=O ZINC000587473523 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(N)cc1C)CC2=O ZINC000587473538 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(N)cc1C)CC2=O ZINC000587473539 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(C)c1[N+](=O)[O-])CC2=O ZINC000587473540 EI Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccc(C)c1[N+](=O)[O-])CC2=O ZINC000587473541 EI Annotated Bother CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)N(C)C(C)(C)C1 ZINC000587473982 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ccccc1)CC2=O ZINC000587474028 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ccccc1)CC2=O ZINC000587474030 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1cccn1)CC2=O ZINC000587474235 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1cccn1)CC2=O ZINC000587474238 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(/C=C/N1CCCCCC1)CC2=O ZINC000587474267 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(/C=C/N1CCCCCC1)CC2=O ZINC000587474269 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(C3CCCC3)c1)CC2=O ZINC000587474346 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(C3CCCC3)c1)CC2=O ZINC000587474348 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)C)nc1C)CC2=O ZINC000587474360 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)C)nc1C)CC2=O ZINC000587474361 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)nc1C(C)C)CC2=O ZINC000587474404 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC)nc1C(C)C)CC2=O ZINC000587474405 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(CC)c1C)CC2=O ZINC000587474470 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(CC)c1C)CC2=O ZINC000587474474 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)o1)CC2=O ZINC000587474508 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)o1)CC2=O ZINC000587474511 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1C1CCCC1)CC2=O ZINC000587474589 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1C1CCCC1)CC2=O ZINC000587474592 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(CC)CC)CC1)CC2=O ZINC000587474851 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CC=C(C)C)CC1)CC2=O ZINC000587474953 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3)c1)CC2=O ZINC000587474984 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3)c1)CC2=O ZINC000587474985 EI Annotated Anodyne CCCCn1nc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C ZINC000587475032 EI Annotated Anodyne CCCCn1nc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C ZINC000587475033 EI Annotated Anodyne C=CCn1nc(C)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1C ZINC000587475040 EI Annotated Mild C=CCn1nc(C)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1C ZINC000587475041 EI Annotated Mild CCCCn1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 ZINC000587475328 EI Annotated Anodyne CCCCn1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 ZINC000587475329 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CCC)c1C)CC2=O ZINC000587475344 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CCC)c1C)CC2=O ZINC000587475345 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C3CCCC3)CC1)CC2=O ZINC000587475406 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)cc1)CC2=O ZINC000587475590 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)cc1)CC2=O ZINC000587475591 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C(C)C)c1)CC2=O ZINC000587475623 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C(C)C)c1)CC2=O ZINC000587475625 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1)CC2=O ZINC000587475656 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1)CC2=O ZINC000587475658 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C(C)C)c1C)CC2=O ZINC000587475738 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C(C)C)c1C)CC2=O ZINC000587475739 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C3CCCC3)C1)CC2=O ZINC000587475963 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCN(C3CCCC3)C1)CC2=O ZINC000587475965 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C)c3ccccc31)CC2=O ZINC000587475972 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)c3ccccc31)CC2=O ZINC000587475978 EI Annotated Anodyne CCCCCn1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 ZINC000587476127 EI Annotated Anodyne CCCCCn1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 ZINC000587476128 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)ccc31)CC2=O ZINC000587476149 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)ccc31)CC2=O ZINC000587476151 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C)c1ccc(OC)cc1)CC2=O ZINC000587476186 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)c1ccc(OC)cc1)CC2=O ZINC000587476192 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)c1ccc(OC)cc1)CC2=O ZINC000587476194 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)c1ccc(OC)cc1)CC2=O ZINC000587476196 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CCC(C)C)CC1)CC2=O ZINC000587476612 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cccc1OC)CC2=O ZINC000587476831 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cccc1OC)CC2=O ZINC000587476834 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CC(C)=O)CC2=O ZINC000587476843 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CC(C)=O)CC2=O ZINC000587476846 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CC(C)=O)CC2=O ZINC000587476848 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CC(C)=O)CC2=O ZINC000587476851 EI Annotated Anodyne CCCCOC(=O)CC[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587476859 EI Annotated Anodyne CCCCOC(=O)CC[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587476871 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(C)(C)C)CC2=O ZINC000587476881 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(C)(C)C)CC2=O ZINC000587476882 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(OC)c31)CC2=O ZINC000587476893 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(OC)c31)CC2=O ZINC000587476897 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC(C)C)CC2=O ZINC000587476910 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC(C)C)CC2=O ZINC000587476914 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccccc1)CC2=O ZINC000587476938 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccccc1)CC2=O ZINC000587476948 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1O)CC2=O ZINC000587476984 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C(C)C)n1)CC2=O ZINC000587476985 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1O)CC2=O ZINC000587476987 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C(C)C)n1)CC2=O ZINC000587476988 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1)CC2=O ZINC000587476992 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1)CC2=O ZINC000587476995 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1ccccc1C)CC2=O ZINC000587477002 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)cc31)CC2=O ZINC000587477005 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1ccccc1C)CC2=O ZINC000587477006 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)cc31)CC2=O ZINC000587477008 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C(C)C)c1C)CC2=O ZINC000587477018 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C(C)C)c1C)CC2=O ZINC000587477020 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(CCC)c1C)CC2=O ZINC000587477057 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(CCC)c1C)CC2=O ZINC000587477058 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cccc1OC)CC2=O ZINC000587477072 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cccc1OC)CC2=O ZINC000587477074 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(O)ccc31)CC2=O ZINC000587477201 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(O)ccc31)CC2=O ZINC000587477203 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](OC)c1ccccc1)CC2=O ZINC000587477359 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](OC)c1ccccc1)CC2=O ZINC000587477362 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](OC)c1ccccc1)CC2=O ZINC000587477364 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](OC)c1ccccc1)CC2=O ZINC000587477366 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587477448 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H]2CC[C@@]1(C)C2(C)C ZINC000587477466 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2CC[C@@]1(C)C2(C)C ZINC000587477469 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587477471 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587477473 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587477476 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@]2(C)CC[C@H]1C2(C)C ZINC000587477561 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000587477563 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000587477565 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@]2(C)CC[C@H]1C2(C)C ZINC000587477566 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@]2(C)CC[C@H]1C2(C)C ZINC000587477567 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@]2(C)CC[C@H]1C2(C)C ZINC000587477568 EI Annotated Anodyne C#CCOc1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587477644 EI Annotated Mild C#CCOc1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587477645 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](COc1ccc(C)cc1)CC2=O ZINC000587477745 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1ccc(C)cc1)CC2=O ZINC000587477746 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)cc1)CC2=O ZINC000587477755 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)cc1)CC2=O ZINC000587477756 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)nc1C1CC1)CC2=O ZINC000587477922 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC)nc1C1CC1)CC2=O ZINC000587477923 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(CCC)nc1C)CC2=O ZINC000587477948 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CCC)nc1C)CC2=O ZINC000587477949 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3c[nH]nc13)CC2=O ZINC000587478161 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3c[nH]nc13)CC2=O ZINC000587478163 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(C#N)cccc13)CC2=O ZINC000587478397 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@H](CCC)C(=O)OCC)CC2=O ZINC000587478399 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CCC)C(=O)OCC)CC2=O ZINC000587478401 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](CCC)C(=O)OCC)CC2=O ZINC000587478405 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](CCC)C(=O)OCC)CC2=O ZINC000587478407 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(C#N)cccc13)CC2=O ZINC000587478416 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC)CC2=O ZINC000587478470 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC)CC2=O ZINC000587478474 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C)c1O)CC2=O ZINC000587478487 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C)c1O)CC2=O ZINC000587478490 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C)cc31)CC2=O ZINC000587478552 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C)cc31)CC2=O ZINC000587478579 EI Annotated Anodyne C#CCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587478651 EI Annotated Mild C#CCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587478654 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C)CC(=O)C[C@@]2(C)C1 ZINC000587478685 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C)CC(=O)C[C@@]2(C)C1 ZINC000587478694 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@H](C)C1=O ZINC000587478718 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@@H](C)C1=O ZINC000587478722 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)C[C@@H](C)C1=O ZINC000587478724 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)C[C@H](C)C1=O ZINC000587478727 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OC)CC2=O ZINC000587478865 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OC)CC2=O ZINC000587478868 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccn(C(C)C)n1)CC2=O ZINC000587478923 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccn(C(C)C)n1)CC2=O ZINC000587478926 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cnn(CC)c1C)CC2=O ZINC000587478952 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cnn(CC)c1C)CC2=O ZINC000587478955 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(C(C)C)c1C)CC2=O ZINC000587478972 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(C(C)C)c1C)CC2=O ZINC000587478974 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccn(-c3ccccc3)n1)CC2=O ZINC000587479024 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccn(-c3ccccc3)n1)CC2=O ZINC000587479027 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cn(CC)nc1C)CC2=O ZINC000587479058 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cn(CC)nc1C)CC2=O ZINC000587479059 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1cc(C)cc(C)c1)CC2=O ZINC000587479194 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cc(C)cc(C)c1)CC2=O ZINC000587479197 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COCc1ccccc1)CC2=O ZINC000587479210 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COCc1ccccc1)CC2=O ZINC000587479211 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1c(C)cccc1C)CC2=O ZINC000587479222 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1c(C)cccc1C)CC2=O ZINC000587479223 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@@H](C)CC)c1)CC2=O ZINC000587479533 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@H](C)CC)c1)CC2=O ZINC000587479537 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn([C@@H](C)CC)c1)CC2=O ZINC000587479540 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn([C@H](C)CC)c1)CC2=O ZINC000587479545 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc[nH]c3nccc1-3)CC2=O ZINC000587479613 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(O)cccc31)CC2=O ZINC000587479614 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c(O)cccc31)CC2=O ZINC000587479617 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc[nH]c3nccc1-3)CC2=O ZINC000587479636 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]([C@H](C)O)(C1(C)CCCCC1)CC2=O ZINC000587479735 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]([C@H](C)O)(C1(C)CCCCC1)CC2=O ZINC000587479741 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]([C@@H](C)O)(C1(C)CCCCC1)CC2=O ZINC000587479746 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]([C@@H](C)O)(C1(C)CCCCC1)CC2=O ZINC000587479751 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCCCCC(=O)O)CC2=O ZINC000587479835 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCCC(=O)O)CC2=O ZINC000587479836 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccoc3c1)CC2=O ZINC000587479859 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccoc3c1)CC2=O ZINC000587479860 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(O)cc31)CC2=O ZINC000587479902 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(O)cc31)CC2=O ZINC000587479904 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]cc(C)c31)CC2=O ZINC000587479918 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]cc(C)c31)CC2=O ZINC000587479925 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c([nH]1)CCCC3)CC2=O ZINC000587479930 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c([nH]1)CCCC3)CC2=O ZINC000587479933 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CC)c1)CC2=O ZINC000587480056 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CC)c1)CC2=O ZINC000587480059 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OC)cccc31)CC2=O ZINC000587480142 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC)cccc31)CC2=O ZINC000587480145 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1C)CC2=O ZINC000587480222 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1C)CC2=O ZINC000587480224 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H](C)CC)CC2=O ZINC000587480403 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H](C)CC)CC2=O ZINC000587480405 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H](C)CC)CC2=O ZINC000587480406 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H](C)CC)CC2=O ZINC000587480408 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(C)(C)C)(C(=O)OCC)CC2=O ZINC000587480466 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(C)(C)C)(C(=O)OCC)CC2=O ZINC000587480467 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1n[nH]c3ccccc13)CC2=O ZINC000587480651 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1n[nH]c3ccccc13)CC2=O ZINC000587480653 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1cccc(C)c1)CC2=O ZINC000587480675 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1cccc(C)c1)CC2=O ZINC000587480678 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ncccc13)CC2=O ZINC000587480686 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ncccc13)CC2=O ZINC000587480688 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(C)cc31)CC2=O ZINC000587480724 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(C)cc31)CC2=O ZINC000587480728 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@@H](C)CC)CC2=O ZINC000587480851 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@H](C)CC)CC2=O ZINC000587480853 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@@H](C)CC)CC2=O ZINC000587480856 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@H](C)CC)CC2=O ZINC000587480860 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OC)CC2=O ZINC000587480910 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OC)CC2=O ZINC000587480913 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccccc3OC1)CC2=O ZINC000587481056 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccccc3OC1)CC2=O ZINC000587481063 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(Oc2ccccc2)C1 ZINC000587481123 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC(C)C)C1(C)C ZINC000587481184 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OC(C)C)C1(C)C ZINC000587481188 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OC(C)C)C1(C)C ZINC000587481190 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC(C)C)C1(C)C ZINC000587481192 EI Annotated Anodyne C#CCOc1ccccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481473 EI Annotated Mild C#CCOc1ccccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481474 EI Annotated Mild CCCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481541 EI Annotated Anodyne CCCC[C@]1(CC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481542 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H]1CCCCC1=O)CC2=O ZINC000587481549 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H]1CCCCC1=O)CC2=O ZINC000587481551 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@H]1CCCCC1=O)CC2=O ZINC000587481554 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H]1CCCCC1=O)CC2=O ZINC000587481556 EI Annotated Anodyne C#Cc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481558 EI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481561 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3ccccc13)CC2=O ZINC000587481669 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3ccccc13)CC2=O ZINC000587481673 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2[nH]c3ccccc3c2C1 ZINC000587481743 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2[nH]c3ccccc3c2C1 ZINC000587481745 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCc3c[nH]cc31)CC2=O ZINC000587481763 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCc3c[nH]cc31)CC2=O ZINC000587481765 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cccnc13)CC2=O ZINC000587481767 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cccnc13)CC2=O ZINC000587481769 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nc[nH]c3c1)CC2=O ZINC000587481807 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nc[nH]c3c1)CC2=O ZINC000587481809 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(C)cc13)CC2=O ZINC000587481884 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(C)cc13)CC2=O ZINC000587481886 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(OC(C)C)CC1)CC2=O ZINC000587481961 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1OC)CC2=O ZINC000587481962 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1OC)CC2=O ZINC000587481963 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)OC(C)(C)C1 ZINC000587481987 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(O)cc1)CC2=O ZINC000587482014 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(O)cc1)CC2=O ZINC000587482024 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)CC1CCOCC1)CC2=O ZINC000587482295 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C)CC1CCOCC1)CC2=O ZINC000587482296 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)CC1CCOCC1)CC2=O ZINC000587482298 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)CC1CCOCC1)CC2=O ZINC000587482300 EI Annotated Anodyne CCCCn1nccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482391 EI Annotated Anodyne CCCCn1nccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482394 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)ccc1O)CC2=O ZINC000587482463 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)ccc1O)CC2=O ZINC000587482466 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)cc1O)CC2=O ZINC000587482520 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)cc1O)CC2=O ZINC000587482524 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccn1)(C(C)C)CC2=O ZINC000587482585 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(C(C)C)CC2=O ZINC000587482590 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C(C)C)=CC=CC1=O ZINC000587482597 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C(C)C)=CC=CC1=O ZINC000587482601 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](CCC)(c1c(C)n[nH]c1C)CC2=O ZINC000587482745 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1c(C)n[nH]c1C)CC2=O ZINC000587482749 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3nccc-3c1)CC2=O ZINC000587482750 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3nccc-3c1)CC2=O ZINC000587482752 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@@H](C)C(=O)OC(C)(C)C)CC2=O ZINC000587482795 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@@H](C)C(=O)OC(C)(C)C)CC2=O ZINC000587482796 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@H](C)C(=O)OC(C)(C)C)CC2=O ZINC000587482798 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@H](C)C(=O)OC(C)(C)C)CC2=O ZINC000587482799 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3ncoc13)CC2=O ZINC000587482856 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3ncoc13)CC2=O ZINC000587482857 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(O)c13)CC2=O ZINC000587482893 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(O)c13)CC2=O ZINC000587482894 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccccc1OC)CC2=O ZINC000587483076 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccccc1OC)CC2=O ZINC000587483078 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(OC)c1)CC2=O ZINC000587483083 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(OC)c1)CC2=O ZINC000587483084 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(-c3ccccc3)[nH]1)CC2=O ZINC000587483318 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(-c3ccccc3)[nH]1)CC2=O ZINC000587483323 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCOCc1ccccc1)CC2=O ZINC000587483354 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCOCc1ccccc1)CC2=O ZINC000587483357 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(C)cn1)CC2=O ZINC000587483383 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](CC)C(=O)OC)CC2=O ZINC000587483390 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(C)cn1)CC2=O ZINC000587483393 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](CC)C(=O)OC)CC2=O ZINC000587483394 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@H](CC)C(=O)OC)CC2=O ZINC000587483398 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](CC)C(=O)OC)CC2=O ZINC000587483403 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3c(C)cccc31)CC2=O ZINC000587483613 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3c(C)cccc31)CC2=O ZINC000587483621 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccncc13)CC2=O ZINC000587483813 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccncc13)CC2=O ZINC000587483815 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3[nH]cc(C)c3c1)CC2=O ZINC000587483817 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3[nH]cc(C)c3c1)CC2=O ZINC000587483820 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCNc3ccccc31)CC2=O ZINC000587483866 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCNc3ccccc31)CC2=O ZINC000587483869 EI Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccco1)(c1ccco1)CC2=O ZINC000587484196 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(O)cc13)CC2=O ZINC000587484449 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(O)cc13)CC2=O ZINC000587484452 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(CC)noc1C)CC2=O ZINC000587484549 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(CC)noc1C)CC2=O ZINC000587484553 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@@]2(C)O[C@H]12 ZINC000587484614 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@@]2(C)O[C@@H]12 ZINC000587484616 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@]2(C)O[C@@H]21 ZINC000587484619 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@]2(C)O[C@H]21 ZINC000587484622 EI Annotated Anodyne CCCCCOC(=O)C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587484740 EI Annotated Anodyne CCCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587484741 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(C)C)([C@H]1CCCNC1)CC2=O ZINC000587484766 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(C)C)([C@@H]1CCCNC1)CC2=O ZINC000587484769 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(C)C)([C@@H]1CCCNC1)CC2=O ZINC000587484775 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(C)C)([C@H]1CCCNC1)CC2=O ZINC000587484776 EI Annotated Anodyne CCCOc1ncccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587484804 EI Annotated Anodyne CCCOc1ncccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587484807 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccccc1)CC2=O ZINC000587484889 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccccc1)CC2=O ZINC000587484891 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc3[nH]ncc13)CC2=O ZINC000587484897 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3[nH]ncc13)CC2=O ZINC000587484898 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ncccc13)CC2=O ZINC000587484935 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ncccc13)CC2=O ZINC000587484938 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]ncc3c1)CC2=O ZINC000587484950 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]ncc3c1)CC2=O ZINC000587484953 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC)C1(CC)CC ZINC000587485048 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OC)C1(CC)CC ZINC000587485049 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OC)C1(CC)CC ZINC000587485050 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC)C1(CC)CC ZINC000587485051 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3cccnc3c1)CC2=O ZINC000587485122 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3cccnc3c1)CC2=O ZINC000587485124 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1C)CC2=O ZINC000587485161 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1C)CC2=O ZINC000587485162 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COCC)o1)CC2=O ZINC000587485227 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COCC)o1)CC2=O ZINC000587485229 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3o1)CC2=O ZINC000587485234 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3o1)CC2=O ZINC000587485235 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](C)C(=O)OCC)CC2=O ZINC000587485296 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](C)C(=O)OCC)CC2=O ZINC000587485299 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@H](C)C(=O)OCC)CC2=O ZINC000587485301 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](C)C(=O)OCC)CC2=O ZINC000587485303 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCCC(C)C)CC2=O ZINC000587485397 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCCC(C)C)CC2=O ZINC000587485417 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)[nH]n1)CC2=O ZINC000587485627 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)[nH]n1)CC2=O ZINC000587485628 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCN3)CC2=O ZINC000587485650 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCN3)CC2=O ZINC000587485652 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c1NCCC3)CC2=O ZINC000587485661 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1NCCC3)CC2=O ZINC000587485672 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc[nH]n3)o1)CC2=O ZINC000587485724 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc[nH]n3)o1)CC2=O ZINC000587485729 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCCO3)CC1)CC2=O ZINC000587485799 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCO3)CC2=O ZINC000587485872 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCO3)CC2=O ZINC000587485874 EI Annotated Anodyne CCCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587485943 EI Annotated Anodyne CCCCC[C@]1(C(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587485948 EI Annotated Anodyne C=C1CC([C@]2(CCCOC)CC(=O)c3ccc(O)c(CCC)c3O2)C1 ZINC000587486033 EI Annotated Mild C=C1CC([C@@]2(CCCOC)CC(=O)c3ccc(O)c(CCC)c3O2)C1 ZINC000587486035 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC3=CC(=O)CC[C@@]31C)CC2=O ZINC000587486113 EI Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC3=CC(=O)CC[C@]31C)CC2=O ZINC000587486117 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCC3=CC(=O)CC[C@]31C)CC2=O ZINC000587486122 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCC3=CC(=O)CC[C@@]31C)CC2=O ZINC000587486127 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(O)cc1)CC2=O ZINC000587486288 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(O)cc1)CC2=O ZINC000587486291 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(C)cc31)CC2=O ZINC000587486413 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(C)cc31)CC2=O ZINC000587486415 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccccc3n1)CC2=O ZINC000587486426 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccccc3n1)CC2=O ZINC000587486427 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccnc3c1O)CC2=O ZINC000587486453 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3cccnc3c1O)CC2=O ZINC000587486458 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC[C@H]1C ZINC000587486467 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC[C@H]1C ZINC000587486468 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC[C@@H]1C ZINC000587486470 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC[C@@H]1C ZINC000587486473 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3c(C)cccc13)CC2=O ZINC000587486518 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3c(C)cccc13)CC2=O ZINC000587486523 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC13CCOCC3)CC2=O ZINC000587486585 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC13CCOCC3)CC2=O ZINC000587486587 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@@H](C)CCC)CC2=O ZINC000587486645 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@@H](C)CCC)CC2=O ZINC000587486648 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@H](C)CCC)CC2=O ZINC000587486650 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@H](C)CCC)CC2=O ZINC000587486652 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@H]1CCOC1)CC2=O ZINC000587486708 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@@H]1CCOC1)CC2=O ZINC000587486709 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@@H]1CCOC1)CC2=O ZINC000587486711 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@H]1CCOC1)CC2=O ZINC000587486713 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(C)n3ccccc13)CC2=O ZINC000587486768 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(C)n3ccccc13)CC2=O ZINC000587486772 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ncccc1C)CC2=O ZINC000587486775 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ncccc1C)CC2=O ZINC000587486778 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)C)nc1)CC2=O ZINC000587486783 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)C)nc1)CC2=O ZINC000587486784 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]cc1-c1ccccc1)CC2=O ZINC000587486793 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]cc1-c1ccccc1)CC2=O ZINC000587486794 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C)nc1)CC2=O ZINC000587486870 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C)nc1)CC2=O ZINC000587486872 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(C#N)ccc13)CC2=O ZINC000587486875 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(C#N)ccc13)CC2=O ZINC000587486876 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cnccc13)CC2=O ZINC000587486964 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cnccc13)CC2=O ZINC000587486967 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccccn13)CC2=O ZINC000587487255 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)CC(C)(C)C[C@@H]1C ZINC000587487258 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccccn13)CC2=O ZINC000587487259 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)CC(C)(C)C[C@H]1C ZINC000587487262 EI Annotated Anodyne CCCCc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 ZINC000587487267 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)CC(C)(C)C[C@H]1C ZINC000587487268 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ncco1)CC2=O ZINC000587487272 EI Annotated Anodyne CCCCc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 ZINC000587487273 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)CC(C)(C)C[C@@H]1C ZINC000587487274 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ncco1)CC2=O ZINC000587487277 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](O)c3ccccc31)CC2=O ZINC000587487404 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](O)c3ccccc31)CC2=O ZINC000587487410 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](O)c3ccccc31)CC2=O ZINC000587487414 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](O)c3ccccc31)CC2=O ZINC000587487418 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(C)cn13)CC2=O ZINC000587487420 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(C)cn13)CC2=O ZINC000587487423 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c[nH]nc3c1)CC2=O ZINC000587487492 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c[nH]nc3c1)CC2=O ZINC000587487493 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(C)cc13)CC2=O ZINC000587487529 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(C)cc13)CC2=O ZINC000587487531 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc[nH]c1C(C)(C)C)CC2=O ZINC000587487830 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc[nH]c1C(C)(C)C)CC2=O ZINC000587487832 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3)[nH]1)CC2=O ZINC000587487925 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)[nH]1)CC2=O ZINC000587487926 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3cccc(C)n13)CC2=O ZINC000587488006 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3cccc(C)n13)CC2=O ZINC000587488008 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3ccc(C)cc3n1)CC2=O ZINC000587488041 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3ccc(C)cc3n1)CC2=O ZINC000587488042 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3[nH]1)CC2=O ZINC000587488083 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3[nH]1)CC2=O ZINC000587488086 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CO[C@H](C)c1ccccc1)CC2=O ZINC000587488221 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CO[C@@H](C)c1ccccc1)CC2=O ZINC000587488223 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CO[C@@H](C)c1ccccc1)CC2=O ZINC000587488226 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CO[C@H](C)c1ccccc1)CC2=O ZINC000587488228 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nccc(C)c13)CC2=O ZINC000587488250 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nccc(C)c13)CC2=O ZINC000587488254 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1coc(C(C)C)n1)CC2=O ZINC000587488346 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1coc(C(C)C)n1)CC2=O ZINC000587488356 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccnc(C)c13)CC2=O ZINC000587488429 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccnc(C)c13)CC2=O ZINC000587488431 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCCCCCC(=O)O)CC2=O ZINC000587488491 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCCCC(=O)O)CC2=O ZINC000587488492 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CCC(=O)O)CC2=O ZINC000587488501 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CCC(=O)O)CC2=O ZINC000587488503 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CCC(=O)O)CC2=O ZINC000587488506 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CCC(=O)O)CC2=O ZINC000587488509 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3ccccn3c1)CC2=O ZINC000587488642 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3ccccn3c1)CC2=O ZINC000587488644 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)C12CCCC2 ZINC000587488755 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)C12CCCC2 ZINC000587488756 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OCC)C12CCCC2 ZINC000587488759 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)C12CCCC2 ZINC000587488762 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(c1cccnc1)CC2=O ZINC000587488787 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1cccnc1)CC2=O ZINC000587488790 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1cnccc1C)CC2=O ZINC000587488840 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cnccc1C)CC2=O ZINC000587488841 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C)cccn13)CC2=O ZINC000587488849 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C)cccn13)CC2=O ZINC000587488850 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C1CCC1)CC2=O ZINC000587488885 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C1CCC1)CC2=O ZINC000587488886 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)Oc2ccccc21 ZINC000587488918 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)Oc2ccccc21 ZINC000587488919 EI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587488989 EI Annotated Anodyne CCCCCC[C@]1(C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587488990 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)C12CCC2 ZINC000587489130 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OCC)C12CCC2 ZINC000587489131 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)C12CCC2 ZINC000587489132 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)C12CCC2 ZINC000587489133 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)nc1)CC2=O ZINC000587489317 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)nc1)CC2=O ZINC000587489318 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3cc(C)ccn13)CC2=O ZINC000587489362 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3cc(C)ccn13)CC2=O ZINC000587489363 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1coc(C3CC3)n1)CC2=O ZINC000587489378 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1coc(C3CC3)n1)CC2=O ZINC000587489379 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1C)CC2=O ZINC000587489417 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1C)CC2=O ZINC000587489449 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)cc1C)CC2=O ZINC000587489602 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)cc1C)CC2=O ZINC000587489609 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3cc(C)ccc3n1)CC2=O ZINC000587489660 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3cc(C)ccc3n1)CC2=O ZINC000587489662 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)nc1C)CC2=O ZINC000587489669 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)nc1C)CC2=O ZINC000587489675 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ncccc1C)CC2=O ZINC000587489683 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ncccc1C)CC2=O ZINC000587489690 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(C)n1)CC2=O ZINC000587489730 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(C)n1)CC2=O ZINC000587489737 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1cc(C)nc(C)c1)CC2=O ZINC000587489809 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cc(C)nc(C)c1)CC2=O ZINC000587489816 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)nc(C)c1)CC2=O ZINC000587489928 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)nc(C)c1)CC2=O ZINC000587489929 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(C(C)C)CC2=O ZINC000587489995 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(C(C)C)CC2=O ZINC000587489997 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(O)c3n1)CC2=O ZINC000587490219 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(O)c3n1)CC2=O ZINC000587490222 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1CCCCC1)(C(=O)O)CC2=O ZINC000587490344 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1CCCCC1)(C(=O)O)CC2=O ZINC000587490347 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(c1ccccn1)CC2=O ZINC000587490562 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccccn1)CC2=O ZINC000587490565 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1OC(C)C)CC2=O ZINC000587490566 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1OC(C)C)CC2=O ZINC000587490567 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(C)ccn1)CC2=O ZINC000587490580 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(C)ccn1)CC2=O ZINC000587490581 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)nc1C)CC2=O ZINC000587490605 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)nc1C)CC2=O ZINC000587490606 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)CCCCC(=O)O)CC2=O ZINC000587490802 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)CCCCC(=O)O)CC2=O ZINC000587490805 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)CCCCC(=O)O)CC2=O ZINC000587490807 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)=O)cc1)CC2=O ZINC000587490808 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)CCCCC(=O)O)CC2=O ZINC000587490809 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(C)c1)CC2=O ZINC000587490810 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)=O)cc1)CC2=O ZINC000587490811 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(C)c1)CC2=O ZINC000587490813 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1CC)CC2=O ZINC000587490831 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1CC)CC2=O ZINC000587490833 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c(O)c1)CC2=O ZINC000587490850 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c(O)c1)CC2=O ZINC000587490852 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3cccc(C)c3n1)CC2=O ZINC000587490967 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3cccc(C)c3n1)CC2=O ZINC000587490969 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(C)=O)CC2=O ZINC000587491285 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(C)=O)CC2=O ZINC000587491286 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)ccc(C)c1O)CC2=O ZINC000587491376 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)ccc(C)c1O)CC2=O ZINC000587491377 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccncc1CC)CC2=O ZINC000587491468 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1CC)CC2=O ZINC000587491470 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCc1ccccn1)CC2=O ZINC000587491493 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCCc1ccccn1)CC2=O ZINC000587491494 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C(C)C)CC2=O ZINC000587491497 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C(C)C)CC2=O ZINC000587491498 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCOC3)CC1)CC2=O ZINC000587491639 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1cc(C)cc(C)c1)CC2=O ZINC000587491654 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1cc(C)cc(C)c1)CC2=O ZINC000587491657 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(C)=O)c1)CC2=O ZINC000587491761 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(C)=O)c1)CC2=O ZINC000587491764 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1c(C)cccc1C)CC2=O ZINC000587491881 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1c(C)cccc1C)CC2=O ZINC000587491883 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(C)c1)CC2=O ZINC000587492029 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cncc(C)c1)CC2=O ZINC000587492031 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(C1CC1)CC2=O ZINC000587492032 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(C1CC1)CC2=O ZINC000587492033 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc3cccnc13)CC2=O ZINC000587492069 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc3cccnc13)CC2=O ZINC000587492070 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1cccnc1)CC2=O ZINC000587492071 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1cccnc1)CC2=O ZINC000587492072 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1cccnc1)CC2=O ZINC000587492073 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1cccnc1)CC2=O ZINC000587492074 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccccn1)CC2=O ZINC000587492092 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccccn1)CC2=O ZINC000587492094 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccccn1)CC2=O ZINC000587492095 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccccn1)CC2=O ZINC000587492096 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(C)=O)s1)CC2=O ZINC000587492138 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(C)=O)s1)CC2=O ZINC000587492139 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])s1)CC2=O ZINC000587492165 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])s1)CC2=O ZINC000587492167 EI Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1sccc1NC(C)=O)CC2=O ZINC000587492333 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sccc1NC(C)=O)CC2=O ZINC000587492334 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(COCC)s1)CC2=O ZINC000587492616 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(COCC)s1)CC2=O ZINC000587492640 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CCO[C@H]2C12CCCC2 ZINC000587492676 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCO[C@H]2C12CCCC2 ZINC000587492680 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C=O)cs1)CC2=O ZINC000587492755 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C=O)cs1)CC2=O ZINC000587492769 EI Annotated Anodyne CCCCCCC[C@@]1(C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587492778 EI Annotated Mild CCCCCCC[C@]1(C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587492781 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3nc1C)CC2=O ZINC000587492808 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3nc1C)CC2=O ZINC000587492813 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(O)c3ccccc13)CC2=O ZINC000587492851 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(O)c3ccccc13)CC2=O ZINC000587492853 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cccnc1)(C(C)C)CC2=O ZINC000587492917 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cccnc1)(C(C)C)CC2=O ZINC000587492918 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc3ncccc13)CC2=O ZINC000587492948 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc3ncccc13)CC2=O ZINC000587492950 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1sccc1C)CC2=O ZINC000587493019 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1sccc1C)CC2=O ZINC000587493020 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3nc1O)CC2=O ZINC000587493064 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3nc1O)CC2=O ZINC000587493066 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3c(C)cccc3n1)CC2=O ZINC000587493073 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3c(C)cccc3n1)CC2=O ZINC000587493075 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(C(=O)O)cc1C)CC2=O ZINC000587493095 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(C(=O)O)cc1C)CC2=O ZINC000587493097 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccccc31)CC2=O ZINC000587493183 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccccc31)CC2=O ZINC000587493184 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@H]3CCOC3)C1)CC2=O ZINC000587493203 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@@H]3CCOC3)C1)CC2=O ZINC000587493204 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@H]3CCOC3)C1)CC2=O ZINC000587493206 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@@H]3CCOC3)C1)CC2=O ZINC000587493207 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(C)s1)CC2=O ZINC000587493315 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(C)s1)CC2=O ZINC000587493316 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(CN(C)C)cs1)CC2=O ZINC000587493365 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(CN(C)C)cs1)CC2=O ZINC000587493366 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(C)cccc31)CC2=O ZINC000587493608 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(C)cccc31)CC2=O ZINC000587493609 EI Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCOCC3)CC1)CC2=O ZINC000587493667 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1scnc1C1CC1)CC2=O ZINC000587493676 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1scnc1C1CC1)CC2=O ZINC000587493677 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCOc3ccccc31)CC2=O ZINC000587493729 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCOc3ccccc31)CC2=O ZINC000587493730 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCOc3ccccc31)CC2=O ZINC000587493731 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCOc3ccccc31)CC2=O ZINC000587493733 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CC#N)s1)CC2=O ZINC000587493829 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CC#N)s1)CC2=O ZINC000587493830 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1nc(C)c(C)s1)CC2=O ZINC000587493902 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc(C)c(C)s1)CC2=O ZINC000587493903 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sccc1OC)CC2=O ZINC000587493918 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sccc1OC)CC2=O ZINC000587493919 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc3c(s1)CCC3)CC2=O ZINC000587494120 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc3c(s1)CCC3)CC2=O ZINC000587494122 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(C)cc31)CC2=O ZINC000587494175 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(C)cc31)CC2=O ZINC000587494179 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)CCCC3)CC2=O ZINC000587494227 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)CCCC3)CC2=O ZINC000587494233 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCO[C@H](C(C)C)C1)CC2=O ZINC000587494289 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCO[C@@H](C(C)C)C1)CC2=O ZINC000587494291 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCO[C@H](C(C)C)C1)CC2=O ZINC000587494293 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCO[C@@H](C(C)C)C1)CC2=O ZINC000587494294 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccs1)CC2=O ZINC000587494321 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccs1)CC2=O ZINC000587494322 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C=O)s1)CC2=O ZINC000587494606 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C=O)s1)CC2=O ZINC000587494610 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc(C)sc1C)CC2=O ZINC000587494719 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc(C)sc1C)CC2=O ZINC000587494720 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C#N)c1cccs1)CC2=O ZINC000587494984 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@@H](C#N)c1cccs1)CC2=O ZINC000587494996 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H]([C@@H](C#N)c1cccs1)CC2=O ZINC000587494997 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@H]([C@H](C#N)c1cccs1)CC2=O ZINC000587494998 EI Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)s1)CC2=O ZINC000587495153 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)s1)CC2=O ZINC000587495157 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3nsnc13)CC2=O ZINC000587495206 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3nsnc13)CC2=O ZINC000587495209 EI Annotated Anodyne O=C1C[C@@]2(CCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 ZINC000587495210 EI Annotated Reactive O=C1C[C@@]2(CCC[C@H]2Br)Oc2c1ccc1c2CCCC1 ZINC000587495212 EI Annotated Reactive O=C1C[C@]2(CCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 ZINC000587495216 EI Annotated Reactive O=C1C[C@]2(CCC[C@H]2Br)Oc2c1ccc1c2CCCC1 ZINC000587495220 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C#N)s1)CC2=O ZINC000587495554 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C#N)s1)CC2=O ZINC000587495559 EI Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(C)sc31)CC2=O ZINC000587495640 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(C)sc31)CC2=O ZINC000587495643 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Cl)s1)CC2=O ZINC000587495713 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Cl)s1)CC2=O ZINC000587495714 EI Annotated Anodyne CCCc1csc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 ZINC000587495777 EI Annotated Anodyne CCCc1csc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 ZINC000587495778 EI Annotated Anodyne CCCc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587496170 EI Annotated Anodyne CCCc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587496172 EI Annotated Anodyne O=C1C[C@@H](c2[nH]ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496185 EI Annotated Anodyne O=C1C[C@H](c2[nH]ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496191 EI Annotated Anodyne O=C1C[C@H](c2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587496220 EI Annotated Anodyne O=C1C[C@@H](c2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587496228 EI Annotated Anodyne O=C1C[C@@H](c2ccc(O)c(Cl)n2)Oc2c1ccc1c2CCCC1 ZINC000587496242 EI Annotated Anodyne O=C1C[C@H](c2ccc(O)c(Cl)n2)Oc2c1ccc1c2CCCC1 ZINC000587496243 EI Annotated Anodyne Cc1nc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587496365 EI Annotated Anodyne Cc1nc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587496370 EI Annotated Anodyne CCc1nn(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496416 EI Annotated Anodyne CCc1nn(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496419 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(C)nc1C)CC2=O ZINC000587496466 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(C)nc1C)CC2=O ZINC000587496467 EI Annotated Anodyne O=C1C[C@](CCl)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 ZINC000587496503 EI Annotated Reactive O=C1C[C@@](CCl)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 ZINC000587496505 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccsc1)CC2=O ZINC000587496730 EI Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccsc1)CC2=O ZINC000587496732 EI Annotated Mild O=C1C[C@](CCl)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496741 EI Annotated Reactive O=C1C[C@@](CCl)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496743 EI Annotated Reactive Cc1noc(C)c1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496844 EI Annotated Reactive Cc1noc(C)c1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496845 EI Annotated Reactive O=C1C[C@@H](c2cc(O)c(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587496865 EI Annotated Clean O=C1C[C@H](c2cc(O)c(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587496866 EI Annotated Clean C[C@@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496934 EI Annotated Anodyne C[C@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496936 EI Annotated Anodyne CNc1cc(Cl)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496968 EI Annotated Anodyne CNc1cc(Cl)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496971 EI Annotated Anodyne O=C1C[C@]2(CCc3ccc(Cl)nc32)Oc2c1ccc1c2CCCC1 ZINC000587497076 EI Annotated Anodyne O=C1C[C@@]2(CCc3ccc(Cl)nc32)Oc2c1ccc1c2CCCC1 ZINC000587497080 EI Annotated Anodyne O=C1C[C@@H](c2ccc(Br)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587497131 EI Annotated Anodyne O=C1C[C@H](c2ccc(Br)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587497132 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(C3CC3)s1)CC2=O ZINC000587497634 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(C3CC3)s1)CC2=O ZINC000587497636 EI Annotated Anodyne Cc1nn(CCCl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497659 EI Annotated Reactive Cc1nn(CCCl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497660 EI Annotated Reactive Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCCl ZINC000587497692 EI Annotated Reactive Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCCl ZINC000587497693 EI Annotated Reactive O=C1C[C@@H](c2cc(Cl)ncc2O)Oc2c1ccc1c2CCCC1 ZINC000587497730 EI Annotated Anodyne O=C1C[C@H](c2cc(Cl)ncc2O)Oc2c1ccc1c2CCCC1 ZINC000587497731 EI Annotated Anodyne C[C@@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497796 EI Annotated Anodyne C[C@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497800 EI Annotated Anodyne CC(C)(C)O[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1Cl ZINC000587497980 EI Annotated Reactive CC(C)(C)O[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1Cl ZINC000587497986 EI Annotated Reactive CC(C)(C)O[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1Cl ZINC000587497991 EI Annotated Reactive O=C1C[C@@](CBr)(C2CCC2)Oc2c1ccc1c2CCCC1 ZINC000587497994 EI Annotated Reactive CC(C)(C)O[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1Cl ZINC000587497995 EI Annotated Reactive O=C1C[C@](CBr)(C2CCC2)Oc2c1ccc1c2CCCC1 ZINC000587498003 EI Annotated Reactive O=C1C[C@](CCl)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587498087 EI Annotated Reactive O=C1C[C@@](CCl)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587498104 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1csc(C3CC3)n1)CC2=O ZINC000587498145 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CSCc3ccccc31)CC2=O ZINC000587498146 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(C3CC3)n1)CC2=O ZINC000587498147 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CSCc3ccccc31)CC2=O ZINC000587498150 EI Annotated Anodyne O=C1C[C@](CBr)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587498220 EI Annotated Reactive O=C1C[C@@](CBr)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587498221 EI Annotated Reactive CC(C)[C@H](Br)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498381 EI Annotated Reactive CC(C)[C@H](Br)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498382 EI Annotated Reactive CC(C)[C@@H](Br)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498384 EI Annotated Reactive CC(C)[C@@H](Br)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498386 EI Annotated Reactive O=C1C[C@@](CBr)(CC2CC2)Oc2c1ccc1c2CCCC1 ZINC000587498586 EI Annotated Reactive O=C1C[C@](CBr)(CC2CC2)Oc2c1ccc1c2CCCC1 ZINC000587498589 EI Annotated Reactive C[C@]1(CCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498595 EI Annotated Reactive C[C@@]1(CCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498596 EI Annotated Reactive O=C1C[C@@H](c2cc(Cl)nnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587498607 EI Annotated Anodyne O=C1C[C@H](c2cc(Cl)nnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587498610 EI Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498718 EI Annotated Anodyne C[C@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498723 EI Annotated Anodyne O=C1C[C@H](c2cc(Br)no2)Oc2c1ccc1c2CCCC1 ZINC000587498729 EI Annotated Anodyne O=C1C[C@@H](c2cc(Br)no2)Oc2c1ccc1c2CCCC1 ZINC000587498736 EI Annotated Anodyne COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587498762 EI Annotated Anodyne COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587498764 EI Annotated Anodyne CCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498777 EI Annotated Anodyne CCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498778 EI Annotated Anodyne C[C@@]1(c2cc(Cl)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498783 EI Annotated Anodyne C[C@]1(c2cc(Cl)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498784 EI Annotated Anodyne C[C@@]1(c2ccnc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499059 EI Annotated Anodyne C[C@]1(c2ccnc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499060 EI Annotated Anodyne C[C@]1([C@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499080 EI Annotated Anodyne O=CC1=C(Cl)[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 ZINC000587499092 EI Annotated Reactive C[C@]1([C@@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499093 EI Annotated Anodyne O=CC1=C(Cl)[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 ZINC000587499094 EI Annotated Reactive C[C@@]1([C@@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499095 EI Annotated Anodyne O=CC1=C(Cl)[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 ZINC000587499096 EI Annotated Reactive C[C@@]1([C@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499097 EI Annotated Anodyne O=CC1=C(Cl)[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 ZINC000587499098 EI Annotated Reactive O=C1C[C@@H](c2cc(Br)c[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587499131 EI Annotated Anodyne O=C1C[C@H](c2cc(Br)c[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587499132 EI Annotated Anodyne COc1ncc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499198 EI Annotated Anodyne COc1ncc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499202 EI Annotated Anodyne CC(C)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499336 EI Annotated Reactive CC(C)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499337 EI Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3sccn13)CC2=O ZINC000587499339 EI Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3sccn13)CC2=O ZINC000587499341 EI Annotated Anodyne O=C1CC2(CC(CBr)C2)Oc2c1ccc1c2CCCC1 ZINC000587499483 EI Annotated Reactive CC[C@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499497 EI Annotated Reactive Cn1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499510 EI Annotated Reactive Cn1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499511 EI Annotated Reactive CC[C@@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499587 EI Annotated Reactive CC[C@@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499589 EI Annotated Reactive CC[C@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499591 EI Annotated Reactive Cc1nc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587499609 EI Annotated Reactive Cc1nc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587499610 EI Annotated Reactive O=C(CCl)c1c[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499619 EI Annotated Reactive COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)n1 ZINC000587499860 EI Annotated Anodyne O=C(CCl)c1c[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499861 EI Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)n1 ZINC000587499863 EI Annotated Anodyne CCn1ncc(Cl)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500008 EI Annotated Anodyne CCn1ncc(Cl)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500009 EI Annotated Anodyne C[C@@H](Br)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500039 EI Annotated Reactive C[C@H](Br)[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500040 EI Annotated Reactive C[C@H](Br)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500041 EI Annotated Reactive C[C@@H](Br)[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500043 EI Annotated Reactive Cn1cccc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500249 EI Annotated Reactive Cn1cccc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500251 EI Annotated Reactive N#CC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500313 EI Annotated Mild N#CC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500316 EI Annotated Mild O=C1C[C@@H](c2cnc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587500381 EI Annotated Anodyne O=C1C[C@H](c2cnc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587500383 EI Annotated Anodyne CCn1cnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500392 EI Annotated Anodyne CCn1cnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500398 EI Annotated Anodyne N#CC[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500514 EI Annotated Mild N#CC[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500515 EI Annotated Mild O=C1C[C@@H](c2cc(Cl)cnc2O)Oc2c1ccc1c2CCCC1 ZINC000587500539 EI Annotated Anodyne O=C1C[C@H](c2cc(Cl)cnc2O)Oc2c1ccc1c2CCCC1 ZINC000587500540 EI Annotated Anodyne Cc1cnc(Cl)nc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500541 EI Annotated Anodyne Cc1cnc(Cl)nc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500542 EI Annotated Anodyne CCn1ncc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500600 EI Annotated Anodyne CCn1ncc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500602 EI Annotated Anodyne C[C@@]1(c2ncccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500702 EI Annotated Anodyne C[C@]1(c2ncccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500703 EI Annotated Anodyne N#Cc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500862 EI Annotated Mild N#Cc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500864 EI Annotated Mild N#CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501083 EI Annotated Mild N#CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501091 EI Annotated Mild C[C@@]1(c2cccc(N=C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501127 EI Annotated Reactive C[C@]1(c2cccc(N=C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501145 EI Annotated Reactive O=C1C[C@@H](c2ccc(O)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501153 EI Annotated Anodyne O=C1C[C@H](c2ccc(O)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501156 EI Annotated Anodyne O=C1C[C@@H](c2c(F)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587501187 EI Annotated Bother O=C1C[C@H](c2c(F)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587501190 EI Annotated Bother CC(C)(Br)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501196 EI Annotated Anodyne CC(C)(Br)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501199 EI Annotated Anodyne CCn1cc(Cl)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587501213 EI Annotated Anodyne CCn1cc(Cl)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587501214 EI Annotated Anodyne COc1c(F)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501226 EI Annotated Anodyne COc1c(F)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501228 EI Annotated Anodyne O=C1C[C@@H](c2c(Cl)cnn2CCF)Oc2c1ccc1c2CCCC1 ZINC000587501325 EI Annotated Anodyne O=C1C[C@H](c2c(Cl)cnn2CCF)Oc2c1ccc1c2CCCC1 ZINC000587501332 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C#N ZINC000587501355 EI Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C#N ZINC000587501359 EI Annotated Mild CN(C)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501362 EI Annotated Anodyne CN(C)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501376 EI Annotated Anodyne CCN(CC)CCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501399 EI Annotated Anodyne CCN(CC)CCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501401 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587501589 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587501592 EI Annotated Anodyne O=C1C[C@@H](c2cc(O)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587501595 EI Annotated Anodyne O=C1C[C@H](c2cc(O)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587501599 EI Annotated Anodyne O=C1C[C@]2(CCOc3cccc(F)c32)Oc2c1ccc1c2CCCC1 ZINC000587501886 EI Annotated Anodyne O=C1C[C@@]2(CCOc3cccc(F)c32)Oc2c1ccc1c2CCCC1 ZINC000587501887 EI Annotated Anodyne COc1cc(C#N)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501933 EI Annotated Mild COc1cc(C#N)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501934 EI Annotated Mild O=C1C[C@H](c2cc(F)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587501937 EI Annotated Bother O=C1C[C@@H](c2cc(F)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587501938 EI Annotated Bother COc1ccc(C#N)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502002 EI Annotated Mild COc1ccc(C#N)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502007 EI Annotated Mild N#CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502009 EI Annotated Mild N#CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502013 EI Annotated Mild O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587502204 EI Annotated Anodyne O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587502206 EI Annotated Anodyne COc1ccnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502274 EI Annotated Anodyne COc1ccnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502277 EI Annotated Anodyne O=C1C[C@H](c2nc(Cl)cnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502291 EI Annotated Anodyne O=C1C[C@@H](c2nc(Cl)cnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502295 EI Annotated Anodyne O=C1C[C@H](c2n[nH]c3ccc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587502311 EI Annotated Anodyne O=C1C[C@@H](c2n[nH]c3ccc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587502329 EI Annotated Anodyne COc1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502333 EI Annotated Anodyne COc1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502338 EI Annotated Anodyne COc1ccc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587502633 EI Annotated Anodyne COc1ccc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587502638 EI Annotated Anodyne O=C1C[C@@H](c2cnc(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502650 EI Annotated Anodyne O=C1C[C@H](c2cnc(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502652 EI Annotated Anodyne NC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502699 EI Annotated Anodyne NC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502702 EI Annotated Anodyne O=C1C[C@](CO)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502790 EI Annotated Anodyne O=C1C[C@@](CO)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502792 EI Annotated Anodyne O=C1C[C@H](c2cc(Cl)c(O)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587502865 EI Annotated Anodyne N#CC[C@]1(c2cccc(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502873 EI Annotated Mild N#CC[C@@]1(c2cccc(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502875 EI Annotated Mild C[C@H](N(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502888 EI Annotated Anodyne C[C@@H](N(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502889 EI Annotated Anodyne C[C@H](N(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502890 EI Annotated Anodyne C[C@@H](N(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502891 EI Annotated Anodyne O=N[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502930 EI Annotated Anodyne O=N[C@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502931 EI Annotated Anodyne O=N[C@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502932 EI Annotated Anodyne O=N[C@@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502933 EI Annotated Anodyne O=C1C[C@H](c2cc(F)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587502976 EI Annotated Bother O=C1C[C@@H](c2cc(F)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587502977 EI Annotated Bother C[C@@]1(c2ccc(O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503019 EI Annotated Anodyne C[C@]1(c2ccc(O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503023 EI Annotated Anodyne N#Cc1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503048 EI Annotated Mild C[C@@]1(c2ccc(F)cc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503051 EI Annotated Anodyne C[C@]1(c2ccc(F)cc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503052 EI Annotated Anodyne N#Cc1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503065 EI Annotated Mild O=C(O)c1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503088 EI Annotated Anodyne O=C(O)c1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503090 EI Annotated Anodyne O=C1C[C@]2(CCc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587503108 EI Annotated Anodyne O=C1C[C@@]2(CCc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587503111 EI Annotated Anodyne C[C@@]1(c2cccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503124 EI Annotated Anodyne C[C@]1(c2cccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503126 EI Annotated Anodyne O=C1C[C@]2(CCNc3c(F)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587503142 EI Annotated Anodyne O=C1C[C@@]2(CCNc3c(F)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587503145 EI Annotated Anodyne N#Cc1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587503223 EI Annotated Mild N#Cc1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587503240 EI Annotated Mild O=C1C[C@@H](c2ccc(OC(F)F)nc2)Oc2c1ccc1c2CCCC1 ZINC000587503288 EI Annotated Anodyne O=C1C[C@H](c2ccc(OC(F)F)nc2)Oc2c1ccc1c2CCCC1 ZINC000587503292 EI Annotated Anodyne O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587503319 EI Annotated Anodyne O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587503320 EI Annotated Anodyne O=Cc1cc(F)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503395 EI Annotated Anodyne O=Cc1cc(F)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503397 EI Annotated Anodyne O=C1C[C@](CO)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503485 EI Annotated Anodyne O=C1C[C@@](CO)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503490 EI Annotated Anodyne N#C[C@@H](F)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503673 EI Annotated Mild N#C[C@H](F)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503680 EI Annotated Mild N#C[C@H](F)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503683 EI Annotated Mild N#C[C@@H](F)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503685 EI Annotated Mild O=C1C[C@@H](c2cc(Cl)c(O)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587503760 EI Annotated Anodyne N#Cc1ccc2c(c1)OC=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503856 EI Annotated Mild N#Cc1ccc2c(c1)OC=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503860 EI Annotated Mild N#CC[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503916 EI Annotated Mild N#CC[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503918 EI Annotated Mild O=C1C[C@@H](COc2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587504021 EI Annotated Anodyne O=C1C[C@H](COc2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587504025 EI Annotated Anodyne O=C1C[C@@H](c2ncc(Cl)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587504087 EI Annotated Anodyne O=C1C[C@H](c2ncc(Cl)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587504089 EI Annotated Anodyne C[C@@]1(c2cc(F)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504111 EI Annotated Anodyne C[C@]1(c2cc(F)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504112 EI Annotated Anodyne O=C1C[C@@H](c2cn3c(F)cccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587504130 EI Annotated Anodyne O=C1C[C@H](c2cn3c(F)cccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587504131 EI Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587504237 EI Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587504239 EI Annotated Bother COc1cccc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504260 EI Annotated Anodyne COc1cccc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504261 EI Annotated Anodyne O=C(O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587504262 EI Annotated Anodyne O=C(O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587504264 EI Annotated Anodyne O=C1C[C@@H](c2c(Cl)ccnc2F)Oc2c1ccc1c2CCCC1 ZINC000587504291 EI Annotated Anodyne O=C1C[C@H](c2c(Cl)ccnc2F)Oc2c1ccc1c2CCCC1 ZINC000587504295 EI Annotated Anodyne O=C1C[C@H](c2cc(F)c(F)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587504343 EI Annotated Anodyne O=C1C[C@@H](c2cc(F)c(F)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587504345 EI Annotated Anodyne COc1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504376 EI Annotated Anodyne COc1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504378 EI Annotated Anodyne C[C@@]1(c2ccc(C#N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504391 EI Annotated Mild C[C@]1(c2ccc(C#N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504392 EI Annotated Mild Cc1cc(C(=O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587504399 EI Annotated Anodyne Cc1cc(C(=O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587504400 EI Annotated Anodyne O=C1C[C@H](c2nc3ccc(F)cc3[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587504477 EI Annotated Anodyne O=C1C[C@@H](c2nc3ccc(F)cc3[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587504481 EI Annotated Anodyne Nc1cc(F)cc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504491 EI Annotated Anodyne Nc1cc(F)cc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504495 EI Annotated Anodyne C[C@@]1(c2c(N)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504548 EI Annotated Anodyne C[C@]1(c2c(N)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504569 EI Annotated Anodyne O=C1C[C@@H](c2c[nH]nc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587504641 EI Annotated Anodyne O=C1C[C@H](c2c[nH]nc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587504652 EI Annotated Anodyne COc1cc(C#N)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504688 EI Annotated Mild COc1cc(C#N)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504698 EI Annotated Mild COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C#N ZINC000587504837 EI Annotated Mild COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C#N ZINC000587504839 EI Annotated Mild O=C1C[C@@H](c2cnc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504926 EI Annotated Anodyne O=C1C[C@H](c2cnc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504928 EI Annotated Anodyne O=C1C[C@@H](c2c(F)ccc(O)c2F)Oc2c1ccc1c2CCCC1 ZINC000587505154 EI Annotated Anodyne O=C1C[C@H](c2c(F)ccc(O)c2F)Oc2c1ccc1c2CCCC1 ZINC000587505156 EI Annotated Anodyne CC[C@@]1(c2ccc(F)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505182 EI Annotated Anodyne CC[C@]1(c2ccc(F)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505199 EI Annotated Anodyne C[C@@]1(c2ccc(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505235 EI Annotated Anodyne C[C@]1(c2ccc(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505236 EI Annotated Anodyne O=C1C[C@H](C(=O)c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587505414 EI Annotated Anodyne O=C1C[C@@H](C(=O)c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587505418 EI Annotated Anodyne C[C@@]1(c2cc(N)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505425 EI Annotated Anodyne C[C@]1(c2ccccc2OCC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505470 EI Annotated Mild C[C@@]1(c2ccccc2OCC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505499 EI Annotated Mild O=C1C[C@H](c2ccc(F)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587505786 EI Annotated Bother O=C1C[C@@H](c2ccc(F)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587505789 EI Annotated Bother O=C1C[C@@H](c2cnc(C(F)(F)F)nc2)Oc2c1ccc1c2CCCC1 ZINC000587505890 EI Annotated Anodyne O=C1C[C@H](c2cnc(C(F)(F)F)nc2)Oc2c1ccc1c2CCCC1 ZINC000587505895 EI Annotated Anodyne C[C@]1(c2cc(N)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506000 EI Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587506031 EI Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587506032 EI Annotated Anodyne O=C1C[C@@H](c2c(F)ccnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506041 EI Annotated Anodyne O=C1C[C@H](c2c(F)ccnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506042 EI Annotated Anodyne C[C@@]1(c2ccc(F)c(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506043 EI Annotated Anodyne C[C@]1(c2ccc(F)c(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506044 EI Annotated Anodyne C[C@@]1(c2c(N)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506047 EI Annotated Anodyne C[C@]1(c2c(N)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506048 EI Annotated Anodyne O=C1C[C@H](C(=O)c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506098 EI Annotated Anodyne O=C1C[C@@H](C(=O)c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506100 EI Annotated Anodyne N#CC[C@@H]1CC2=C(CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506122 EI Annotated Mild N#CC[C@H]1CC2=C(CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506123 EI Annotated Mild N#CC[C@H]1CC2=C(CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506124 EI Annotated Mild N#CC[C@@H]1CC2=C(CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587506125 EI Annotated Mild N#CC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506182 EI Annotated Mild N#CC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506183 EI Annotated Mild O=C1C[C@@H](c2ccnc(Cl)c2F)Oc2c1ccc1c2CCCC1 ZINC000587506266 EI Annotated Anodyne O=C1C[C@H](c2ccnc(Cl)c2F)Oc2c1ccc1c2CCCC1 ZINC000587506269 EI Annotated Anodyne CN(C)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506280 EI Annotated Anodyne CN(C)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506284 EI Annotated Anodyne COc1ccc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506300 EI Annotated Mild COc1ccc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506304 EI Annotated Mild O=C1C[C@@](c2cncc(F)c2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587506328 EI Annotated Anodyne O=C1C[C@](c2cncc(F)c2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587506332 EI Annotated Anodyne O=C1C[C@@H](c2cc(Cl)cnc2F)Oc2c1ccc1c2CCCC1 ZINC000587506365 EI Annotated Anodyne O=C1C[C@H](c2cc(Cl)cnc2F)Oc2c1ccc1c2CCCC1 ZINC000587506368 EI Annotated Anodyne COc1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506418 EI Annotated Anodyne COc1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506420 EI Annotated Anodyne O=C1C[C@@H](c2cc(F)c(O)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506441 EI Annotated Anodyne O=C1C[C@H](c2cc(F)c(O)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506445 EI Annotated Anodyne O=C1C[C@@H](c2cc(C(F)(F)F)n[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587506452 EI Annotated Anodyne O=C1C[C@H](c2cc(C(F)(F)F)n[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587506456 EI Annotated Anodyne O=C1C[C@@H](c2c(O)cc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587506472 EI Annotated Anodyne O=C1C[C@H](c2c(O)cc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587506475 EI Annotated Anodyne O=C1C[C@@H](c2nccc(C(F)(F)F)n2)Oc2c1ccc1c2CCCC1 ZINC000587506576 EI Annotated Anodyne O=C1C[C@H](c2nccc(C(F)(F)F)n2)Oc2c1ccc1c2CCCC1 ZINC000587506580 EI Annotated Anodyne C[C@@]1(c2cc(F)c(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506716 EI Annotated Anodyne C[C@]1(c2cc(F)c(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506719 EI Annotated Anodyne O=C1C[C@]2(CCOc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587506773 EI Annotated Anodyne O=C1C[C@@]2(CCOc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587506777 EI Annotated Anodyne O=C(O)c1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506853 EI Annotated Anodyne O=C(O)c1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506854 EI Annotated Anodyne N#Cc1cccc2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507051 EI Annotated Mild N#Cc1cccc2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507052 EI Annotated Mild COc1cccc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507061 EI Annotated Mild COc1cccc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507062 EI Annotated Mild C[C@]1(c2ccc(OCC#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507063 EI Annotated Mild CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(N)cc2O1 ZINC000587507064 EI Annotated Anodyne C[C@@]1(c2ccc(OCC#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507065 EI Annotated Mild CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(N)cc2O1 ZINC000587507075 EI Annotated Anodyne N#Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587507095 EI Annotated Mild N#Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587507096 EI Annotated Mild COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1 ZINC000587507107 EI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1 ZINC000587507108 EI Annotated Anodyne O=C1C[C@@H](COc2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587507179 EI Annotated Anodyne O=C1C[C@H](COc2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587507181 EI Annotated Anodyne COc1cc(N)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507217 EI Annotated Anodyne COc1cc(N)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507219 EI Annotated Anodyne Cc1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587507226 EI Annotated Anodyne Cc1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587507227 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587507237 EI Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587507240 EI Annotated Anodyne C[C@@]1(c2cccc(O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507243 EI Annotated Anodyne C[C@]1(c2cccc(O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507245 EI Annotated Anodyne O=C1C[C@@H](c2[nH]c3nccc-3cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507272 EI Annotated Anodyne O=C1C[C@H](c2[nH]c3nccc-3cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507274 EI Annotated Anodyne Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CC(F)F ZINC000587507285 EI Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CC(F)F ZINC000587507293 EI Annotated Anodyne Cc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507304 EI Annotated Bother Cc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587507332 EI Annotated Bother Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587507349 EI Annotated Bother Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587507350 EI Annotated Bother Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587507351 EI Annotated Bother Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587507352 EI Annotated Bother O=C1C[C@@H](c2c(F)ccc(F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587507363 EI Annotated Anodyne O=C1C[C@H](c2c(F)ccc(F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587507366 EI Annotated Anodyne N#CC[C@]1(C2CC(F)(F)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507486 EI Annotated Mild N#CC[C@@]1(C2CC(F)(F)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507496 EI Annotated Mild O=C1C[C@@H](c2c[nH]c3nc(F)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587507625 EI Annotated Anodyne O=C1C[C@H](c2c[nH]c3nc(F)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587507630 EI Annotated Anodyne CN(C)CC1([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 ZINC000587507738 EI Annotated Anodyne CN(C)CC1([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 ZINC000587507741 EI Annotated Anodyne N#CC1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587507803 EI Annotated Reactive N#CC1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587507808 EI Annotated Reactive C[C@@]1(c2ccc(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507828 EI Annotated Anodyne C[C@]1(c2ccc(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507829 EI Annotated Anodyne O=C1C[C@H](c2cc(F)c(O)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507834 EI Annotated Anodyne O=C1C[C@@H](c2cc(F)c(O)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507836 EI Annotated Anodyne N#Cc1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507859 EI Annotated Mild N#Cc1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507860 EI Annotated Mild Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587507925 EI Annotated Bother Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587507926 EI Annotated Bother O=C1C[C@@H](c2nc(Cl)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507936 EI Annotated Anodyne O=C1C[C@H](c2nc(Cl)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507937 EI Annotated Anodyne O=C1C[C@@H](c2cccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 ZINC000587507990 EI Annotated Bother O=C1C[C@H](c2cccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 ZINC000587507991 EI Annotated Bother CC1(C)[C@@]2(N)CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587507992 EI Annotated Anodyne CC1(C)[C@@]2(N)CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587507995 EI Annotated Anodyne Nc1cccc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508012 EI Annotated Anodyne Nc1cccc2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508015 EI Annotated Anodyne C[C@@]1(c2ncc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508019 EI Annotated Anodyne C[C@]1(c2ncc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508021 EI Annotated Anodyne CC(=O)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508037 EI Annotated Anodyne CC(=O)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508042 EI Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587508098 EI Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587508099 EI Annotated Anodyne C[C@@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508157 EI Annotated Anodyne C[C@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508158 EI Annotated Anodyne N#C[C@H]1CC(F)(F)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508169 EI Annotated Mild N#C[C@H]1CC(F)(F)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508170 EI Annotated Mild N#C[C@@H]1CC(F)(F)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508171 EI Annotated Mild N#C[C@@H]1CC(F)(F)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508172 EI Annotated Mild O=C1C[C@]2(C=COc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587508302 EI Annotated Anodyne O=C1C[C@@]2(C=COc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587508305 EI Annotated Anodyne N#C[C@@H]1c2ccccc2C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508350 EI Annotated Mild N#C[C@@H]1c2ccccc2C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508356 EI Annotated Mild N#C[C@H]1c2ccccc2C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508358 EI Annotated Mild N#C[C@H]1c2ccccc2C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508360 EI Annotated Mild O=C1C[C@H](c2ccc([N+](=O)[O-])c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508363 EI Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508366 EI Annotated Bother O=C1C[C@H](Cc2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508456 EI Annotated Anodyne O=C1C[C@@H](Cc2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508458 EI Annotated Anodyne O=C1C[C@H](c2c[nH]c3ncc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587508461 EI Annotated Anodyne O=C1C[C@@H](c2c[nH]c3ncc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587508464 EI Annotated Anodyne O=C1C[C@@H](c2c(O)ccc(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587508466 EI Annotated Anodyne O=C1C[C@H](c2c(O)ccc(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587508470 EI Annotated Anodyne O=C1C[C@@H](COc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508479 EI Annotated Anodyne O=C1C[C@H](COc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508482 EI Annotated Anodyne COc1ccccc1[C@@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508620 EI Annotated Mild COc1ccccc1[C@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508624 EI Annotated Mild C[C@@]1(C(=O)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508650 EI Annotated Anodyne C[C@]1(C(=O)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508657 EI Annotated Anodyne C[C@@]1(c2ccc(F)c(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508671 EI Annotated Mild C[C@]1(c2ccc(F)c(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508679 EI Annotated Mild O=C1C[C@H](c2ccc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508730 EI Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508734 EI Annotated Bother O=C1C[C@@H](c2cc(F)ncc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508795 EI Annotated Anodyne C[C@@]1(c2oc3cccnc3c2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508869 EI Annotated Anodyne C[C@]1(c2oc3cccnc3c2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508870 EI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N ZINC000587508939 EI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N ZINC000587508940 EI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N ZINC000587508943 EI Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N ZINC000587508944 EI Annotated Anodyne C[C@@]1(c2ccc(N=C=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509067 EI Annotated Reactive C[C@]1(c2ccc(N=C=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509068 EI Annotated Reactive O=C1C[C@@H](c2c(F)cc(O)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587509080 EI Annotated Anodyne O=C1C[C@H](c2c(F)cc(O)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587509083 EI Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587509084 EI Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587509087 EI Annotated Anodyne CCN(CC)CC(C)(C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509103 EI Annotated Anodyne CCN(CC)CC(C)(C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509105 EI Annotated Anodyne N#Cc1cc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587509109 EI Annotated Mild N#Cc1cc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587509112 EI Annotated Mild Cc1cc([C@@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587509125 EI Annotated Mild Cc1cc([C@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F ZINC000587509126 EI Annotated Mild N#CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509145 EI Annotated Mild N#CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509146 EI Annotated Mild CCN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587509163 EI Annotated Anodyne CCN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587509166 EI Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C#N)c1 ZINC000587509182 EI Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C#N)c1 ZINC000587509184 EI Annotated Mild O=C1C[C@H](c2cc(F)ncc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509193 EI Annotated Anodyne O=C1C[C@]2(CCc3cc(F)c(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587509203 EI Annotated Anodyne O=C1C[C@@]2(CCc3cc(F)c(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587509208 EI Annotated Anodyne O=C1C[C@@H](c2ncc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509228 EI Annotated Anodyne O=C1C[C@H](c2ncc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509232 EI Annotated Anodyne O=C1C[C@H](c2ccc(F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587509305 EI Annotated Bother O=C1C[C@@H](c2ccc(F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587509307 EI Annotated Bother O=C1C[C@@H](c2ccc(F)c(F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587509308 EI Annotated Anodyne O=C1C[C@H](c2ccc(F)c(F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587509311 EI Annotated Anodyne C[C@@]1(c2cc(O)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509314 EI Annotated Anodyne C[C@]1(c2cc(O)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509317 EI Annotated Anodyne O=C1C[C@]2(CCOc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587509338 EI Annotated Anodyne O=C1C[C@@]2(CCOc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587509343 EI Annotated Anodyne N#Cc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509523 EI Annotated Mild N#Cc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509527 EI Annotated Mild O=C1C[C@@H](c2cc(F)cnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509549 EI Annotated Anodyne O=C1C[C@H](c2cc(F)cnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509554 EI Annotated Anodyne C[C@@]1(c2ccc(C#N)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509598 EI Annotated Mild C[C@]1(c2ccc(C#N)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509602 EI Annotated Mild O=C1C[C@]2(CCNc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587509605 EI Annotated Anodyne O=C1C[C@@]2(CCNc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587509607 EI Annotated Anodyne N#Cc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587509613 EI Annotated Mild N#Cc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587509616 EI Annotated Mild COc1nccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509619 EI Annotated Anodyne COc1nccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509623 EI Annotated Anodyne C[C@@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509644 EI Annotated Bother C[C@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509647 EI Annotated Bother N#Cc1c(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587509849 EI Annotated Mild N#Cc1c(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587509851 EI Annotated Mild Cc1nn(CC(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509885 EI Annotated Anodyne Cc1nn(CC(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509886 EI Annotated Anodyne O=C1C[C@@H](c2ccc(F)c(O)c2F)Oc2c1ccc1c2CCCC1 ZINC000587509893 EI Annotated Anodyne O=C1C[C@H](c2ccc(F)c(O)c2F)Oc2c1ccc1c2CCCC1 ZINC000587509894 EI Annotated Anodyne O=C1C[C@H](c2cn3cccc(F)c3n2)Oc2c1ccc1c2CCCC1 ZINC000587510027 EI Annotated Anodyne O=C1C[C@@H](c2cn3cccc(F)c3n2)Oc2c1ccc1c2CCCC1 ZINC000587510029 EI Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ncc2F)Oc2c1ccc1c2CCCC1 ZINC000587510030 EI Annotated Anodyne O=C1C[C@H](c2cc(Cl)ncc2F)Oc2c1ccc1c2CCCC1 ZINC000587510031 EI Annotated Anodyne O=C1C[C@@H](c2cc(F)cc(F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587510066 EI Annotated Anodyne O=C1C[C@H](c2cc(F)cc(F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587510067 EI Annotated Anodyne O=C1C[C@H](c2cnc3ccc(F)cn23)Oc2c1ccc1c2CCCC1 ZINC000587510202 EI Annotated Anodyne O=C1C[C@@H](c2cnc3ccc(F)cn23)Oc2c1ccc1c2CCCC1 ZINC000587510206 EI Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC#N ZINC000587510371 EI Annotated Mild Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC#N ZINC000587510373 EI Annotated Mild Nc1ccc2c(c1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510608 EI Annotated Anodyne Nc1ccc2c(c1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510612 EI Annotated Anodyne O=C1C[C@@H](c2cccn2-c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587510664 EI Annotated Anodyne O=C1C[C@H](c2cccn2-c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587510667 EI Annotated Anodyne O=C1C[C@]2(CCOc3c(F)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587510756 EI Annotated Anodyne O=C1C[C@@]2(CCOc3c(F)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587510757 EI Annotated Anodyne O=C1C[C@H](CCc2cncc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510762 EI Annotated Anodyne O=C1C[C@@H](CCc2cncc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510763 EI Annotated Anodyne O=C1C[C@]2(C=COc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587510775 EI Annotated Anodyne O=C1C[C@@]2(C=COc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587510778 EI Annotated Anodyne O=C1C[C@@H](c2c(F)c[nH]c3nccc2-3)Oc2c1ccc1c2CCCC1 ZINC000587510848 EI Annotated Anodyne O=C1C[C@H](c2c(F)c[nH]c3nccc2-3)Oc2c1ccc1c2CCCC1 ZINC000587510849 EI Annotated Anodyne O=Cc1sc(F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510876 EI Annotated Anodyne O=Cc1sc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510877 EI Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510930 EI Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510931 EI Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1N(C)C ZINC000587510939 EI Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1N(C)C ZINC000587510949 EI Annotated Anodyne CC(C)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510955 EI Annotated Anodyne CC(C)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510969 EI Annotated Anodyne O=C1C[C@]2(CCc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587511020 EI Annotated Bother O=C1C[C@@]2(CCc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587511030 EI Annotated Bother Cc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511063 EI Annotated Bother Cc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511065 EI Annotated Bother O=C1C[C@H](Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587511089 EI Annotated Bother O=C1C[C@@H](Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587511091 EI Annotated Bother Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] ZINC000587511150 EI Annotated Bother Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] ZINC000587511152 EI Annotated Bother CC(=O)c1cc(N)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587511180 EI Annotated Anodyne CC(=O)c1cc(N)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587511183 EI Annotated Anodyne CC[C@@]1(CC[C@@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511292 EI Annotated Bother CC[C@]1(CC[C@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511293 EI Annotated Bother CC[C@@]1(CC[C@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511294 EI Annotated Bother CC[C@]1(CC[C@@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511296 EI Annotated Bother CC(=O)Nc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511414 EI Annotated Anodyne CC(=O)Nc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511418 EI Annotated Anodyne CN(C)/C=C/[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511643 EI Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511644 EI Annotated Anodyne Nc1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511743 EI Annotated Anodyne Nc1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511745 EI Annotated Anodyne CCN[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511779 EI Annotated Anodyne CCN[C@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511780 EI Annotated Anodyne CCN[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511781 EI Annotated Anodyne CCN[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511783 EI Annotated Anodyne O=C1CC2(CCN(C3CCCC3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587511918 EI Annotated Anodyne O=C1C[C@@H](c2ccnc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587512310 EI Annotated Anodyne O=C1C[C@H](c2ccnc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587512316 EI Annotated Anodyne COc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1N ZINC000587512358 EI Annotated Anodyne COc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1N ZINC000587512359 EI Annotated Anodyne CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCCCC1 ZINC000587512368 EI Annotated Anodyne CC(C)([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCCCC1 ZINC000587512370 EI Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512458 EI Annotated Bother Cc1cc([N+](=O)[O-])ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512461 EI Annotated Bother C[C@@]1(/C=N/Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512517 EI Annotated Mild C[C@]1(/C=N/Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512519 EI Annotated Mild CC(C)(CN1CCCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512527 EI Annotated Anodyne CC(C)(CN1CCCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512529 EI Annotated Anodyne O=C1C[C@]2(CCc3c([N+](=O)[O-])cccc32)Oc2c1ccc1c2CCCC1 ZINC000587512530 EI Annotated Bother O=C1C[C@@]2(CCN(c3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587512532 EI Annotated Anodyne O=C1C[C@@]2(CCc3c([N+](=O)[O-])cccc32)Oc2c1ccc1c2CCCC1 ZINC000587512533 EI Annotated Bother O=C1C[C@]2(CCN(c3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587512535 EI Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C#N ZINC000587512692 EI Annotated Mild CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C#N ZINC000587512693 EI Annotated Mild CC(=O)Nc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512758 EI Annotated Anodyne CC(=O)Nc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512761 EI Annotated Anodyne CC(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512809 EI Annotated Anodyne CC(=O)Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512812 EI Annotated Anodyne O=C1C[C@@]2(CCCN(C3CCCC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587512818 EI Annotated Anodyne O=C1C[C@]2(CCCN(C3CCCC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587512820 EI Annotated Anodyne CNc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N ZINC000587512888 EI Annotated Anodyne CN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587512979 EI Annotated Anodyne C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512980 EI Annotated Bother CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587512981 EI Annotated Anodyne C[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512982 EI Annotated Bother CNc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N ZINC000587513119 EI Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587513157 EI Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCCC3)o2)Oc2c1ccc1c2CCCC1 ZINC000587513159 EI Annotated Anodyne O=C1C[C@H](c2ccc(N3CCCC3)o2)Oc2c1ccc1c2CCCC1 ZINC000587513161 EI Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587513173 EI Annotated Anodyne CC(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513205 EI Annotated Anodyne CC(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513208 EI Annotated Anodyne CN(C)/C=C\[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513225 EI Annotated Anodyne CN(C)/C=C/[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513229 EI Annotated Anodyne CN(C)/C=C/[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513230 EI Annotated Anodyne CN(C)/C=C\[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513232 EI Annotated Anodyne Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 ZINC000587513269 EI Annotated Anodyne Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 ZINC000587513276 EI Annotated Anodyne CC(C)(C)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513347 EI Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ccncc2)Oc2c1ccc1c2CCCC1 ZINC000587513427 EI Annotated Anodyne O=C1C[C@H](c2cccn2-c2ccncc2)Oc2c1ccc1c2CCCC1 ZINC000587513429 EI Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 ZINC000587513511 EI Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 ZINC000587513512 EI Annotated Anodyne CC(C)n1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513547 EI Annotated Anodyne CC(C)n1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513548 EI Annotated Anodyne CC(C)(C)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587513629 EI Annotated Anodyne CC(C)(C)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587513631 EI Annotated Anodyne CCCCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513640 EI Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513650 EI Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513653 EI Annotated Anodyne C=C1C=C(C)n2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2N1 ZINC000587513702 EI Annotated Anodyne C=C1C=C(C)n2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2N1 ZINC000587513707 EI Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)no1 ZINC000587513868 EI Annotated Anodyne Cc1cc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)no1 ZINC000587513878 EI Annotated Anodyne C[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513881 EI Annotated Bother C[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513882 EI Annotated Bother CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CC2)n1 ZINC000587513987 EI Annotated Anodyne CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CC2)n1 ZINC000587513988 EI Annotated Anodyne CC[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514065 EI Annotated Anodyne CC[C@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514067 EI Annotated Anodyne CCn1cc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587514069 EI Annotated Anodyne CCn1cc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587514071 EI Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587514199 EI Annotated Anodyne CC(C)CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514201 EI Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587514202 EI Annotated Anodyne C[C@@]1(c2cnc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514214 EI Annotated Anodyne C[C@]1(c2cnc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514219 EI Annotated Anodyne C[C@@]1(CN2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514322 EI Annotated Anodyne C[C@]1(CN2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514324 EI Annotated Anodyne CN1CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587514398 EI Annotated Anodyne CN1CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587514408 EI Annotated Anodyne C[C@]1(CCN2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514421 EI Annotated Anodyne C[C@@]1(CCN2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514422 EI Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587514589 EI Annotated Anodyne O=C1C[C@H](c2cccn2-c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587514590 EI Annotated Anodyne O=C1C[C@@H](c2nccn2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587514603 EI Annotated Anodyne O=C1C[C@H](c2nccn2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587514604 EI Annotated Anodyne Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515071 EI Annotated Anodyne Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515072 EI Annotated Anodyne Cc1cccc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n12 ZINC000587515088 EI Annotated Anodyne Cc1cccc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n12 ZINC000587515089 EI Annotated Anodyne CC(C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515133 EI Annotated Anodyne CC(C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515136 EI Annotated Anodyne CCCCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515203 EI Annotated Anodyne CCCCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515204 EI Annotated Anodyne Cc1ccc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587515269 EI Annotated Anodyne Cc1ccc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587515271 EI Annotated Anodyne Cn1cnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587515349 EI Annotated Anodyne Cn1cnc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587515350 EI Annotated Anodyne O=C1C[C@@H](c2ccccc2-n2ccnc2)Oc2c1ccc1c2CCCC1 ZINC000587515383 EI Annotated Anodyne O=C1C[C@H](c2ccccc2-n2ccnc2)Oc2c1ccc1c2CCCC1 ZINC000587515384 EI Annotated Anodyne CCCn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587515405 EI Annotated Anodyne CCCn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587515406 EI Annotated Anodyne C[C@@]1(c2cn3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515449 EI Annotated Anodyne C[C@]1(c2cn3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515450 EI Annotated Anodyne O=C1C[C@@H](c2cnc(-c3ccco3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587515479 EI Annotated Anodyne O=C1C[C@H](c2cnc(-c3ccco3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587515480 EI Annotated Anodyne Cc1nc2ccccn2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515506 EI Annotated Anodyne Cc1nc2ccccn2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515507 EI Annotated Anodyne CC(C)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515556 EI Annotated Anodyne C[C@H]1CCCN(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515572 EI Annotated Anodyne C[C@@H]1CCCN(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515573 EI Annotated Anodyne C[C@@H]1CCCN(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515574 EI Annotated Anodyne C[C@H]1CCCN(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515575 EI Annotated Anodyne CC(C)=CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515599 EI Annotated Anodyne CC(C)N1CCC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515603 EI Annotated Anodyne CC(C)N1CCC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515604 EI Annotated Anodyne Cn1nc(C(C)(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515627 EI Annotated Anodyne Cn1nc(C(C)(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515628 EI Annotated Anodyne O=C1C[C@@H](c2cccc(-n3ccnc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587515629 EI Annotated Anodyne O=C1C[C@H](c2cccc(-n3ccnc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587515630 EI Annotated Anodyne CCCn1nc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587515657 EI Annotated Anodyne CCCn1nc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587515658 EI Annotated Anodyne O=C1C[C@](Cc2ccccn2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587515736 EI Annotated Anodyne O=C1C[C@@](Cc2ccccn2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587515737 EI Annotated Anodyne Cc1cccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn12 ZINC000587515752 EI Annotated Anodyne Cc1cccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn12 ZINC000587515753 EI Annotated Anodyne O=C1C[C@@H](c2cncc3cnccc23)Oc2c1ccc1c2CCCC1 ZINC000587515776 EI Annotated Anodyne O=C1C[C@H](c2cncc3cnccc23)Oc2c1ccc1c2CCCC1 ZINC000587515777 EI Annotated Anodyne N#CCC[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515977 EI Annotated Mild N#CCC[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515980 EI Annotated Mild Cc1ccnc2c1c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C ZINC000587515987 EI Annotated Anodyne Cc1ccnc2c1c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C ZINC000587515988 EI Annotated Anodyne C=CCn1nc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516009 EI Annotated Mild C=CCn1nc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516014 EI Annotated Mild Cc1ccc2nc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 ZINC000587516045 EI Annotated Anodyne Cc1ccc2nc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 ZINC000587516046 EI Annotated Anodyne CCc1nn(C)c(CC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516059 EI Annotated Anodyne CCc1nn(C)c(CC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516066 EI Annotated Anodyne Cc1cccn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 ZINC000587516075 EI Annotated Anodyne Cc1cccn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 ZINC000587516077 EI Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ncco2)Oc2c1ccc1c2CCCC1 ZINC000587516091 EI Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ncco2)Oc2c1ccc1c2CCCC1 ZINC000587516092 EI Annotated Anodyne O=C1C[C@@](c2ccccn2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587516116 EI Annotated Anodyne O=C1C[C@](c2ccccn2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587516117 EI Annotated Anodyne O=C1C[C@@](c2ccccn2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587516118 EI Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587516131 EI Annotated Anodyne O=C1C[C@H](c2ccc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587516132 EI Annotated Anodyne O=C1C[C@](c2ccccn2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587516262 EI Annotated Anodyne Cc1ccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 ZINC000587516290 EI Annotated Anodyne Cc1ccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 ZINC000587516291 EI Annotated Anodyne C[C@@H](C#N)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516329 EI Annotated Mild C[C@H](C#N)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516334 EI Annotated Mild C[C@H](C#N)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516336 EI Annotated Mild C[C@@H](C#N)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516338 EI Annotated Mild O=C1C[C@@H](c2ccc(-n3ccnc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587516366 EI Annotated Anodyne O=C1C[C@H](c2ccc(-n3ccnc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587516369 EI Annotated Anodyne Cn1ncc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587516386 EI Annotated Anodyne Cn1ncc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587516389 EI Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 ZINC000587516390 EI Annotated Anodyne Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 ZINC000587516392 EI Annotated Anodyne Cn1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 ZINC000587516402 EI Annotated Anodyne Cn1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 ZINC000587516403 EI Annotated Anodyne Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccco1 ZINC000587516434 EI Annotated Anodyne Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccco1 ZINC000587516437 EI Annotated Anodyne O=C1C[C@@H](c2ccn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587516484 EI Annotated Anodyne O=C1C[C@H](c2ccn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587516485 EI Annotated Anodyne Cc1ccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2c1 ZINC000587516552 EI Annotated Anodyne Cc1ccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2c1 ZINC000587516553 EI Annotated Anodyne Cc1ccn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 ZINC000587516563 EI Annotated Anodyne O=C1C[C@@H](c2cccc(-n3cccn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587516564 EI Annotated Anodyne Cc1ccn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 ZINC000587516565 EI Annotated Anodyne O=C1C[C@H](c2cccc(-n3cccn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587516566 EI Annotated Anodyne O=C1C[C@@]2(CCCC[C@@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587516633 EI Annotated Anodyne Cn1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 ZINC000587516637 EI Annotated Anodyne Cn1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 ZINC000587516638 EI Annotated Anodyne O=C1C[C@]2(CCCC[C@@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587516649 EI Annotated Anodyne O=C1C[C@@]2(CCCC[C@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587516651 EI Annotated Anodyne O=C1C[C@]2(CCCC[C@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587516652 EI Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 ZINC000587516744 EI Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 ZINC000587516745 EI Annotated Anodyne CC(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587516761 EI Annotated Anodyne CC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587516763 EI Annotated Anodyne Cn1cnc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587516765 EI Annotated Anodyne Cn1cnc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587516767 EI Annotated Anodyne Cc1nc2ccccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516798 EI Annotated Anodyne Cc1nc2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516800 EI Annotated Anodyne Cn1nc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587516814 EI Annotated Anodyne Cn1nc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587516815 EI Annotated Anodyne CCO[C@H](C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516840 EI Annotated Anodyne CCO[C@@H](C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516841 EI Annotated Anodyne CCO[C@@H](C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516842 EI Annotated Anodyne CCO[C@H](C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516843 EI Annotated Anodyne Cn1cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 ZINC000587516872 EI Annotated Anodyne Cn1cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 ZINC000587516873 EI Annotated Anodyne CCCn1ncc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516898 EI Annotated Anodyne CCCn1ncc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516899 EI Annotated Anodyne CCn1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516940 EI Annotated Anodyne CCn1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516941 EI Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)(C)C)n1 ZINC000587517010 EI Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)(C)C)n1 ZINC000587517011 EI Annotated Anodyne CCO[C@H](C)n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517083 EI Annotated Anodyne CCO[C@@H](C)n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517084 EI Annotated Anodyne CCO[C@@H](C)n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517085 EI Annotated Anodyne CCO[C@H](C)n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517086 EI Annotated Anodyne Cn1cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 ZINC000587517230 EI Annotated Anodyne Cn1cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 ZINC000587517231 EI Annotated Anodyne O=C1C[C@@H](c2ccccc2-n2cccn2)Oc2c1ccc1c2CCCC1 ZINC000587517246 EI Annotated Anodyne O=C1C[C@H](c2ccccc2-n2cccn2)Oc2c1ccc1c2CCCC1 ZINC000587517247 EI Annotated Anodyne Cn1ncc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 ZINC000587517334 EI Annotated Anodyne Cn1ncc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 ZINC000587517335 EI Annotated Anodyne CC(C)(C)[C@@]1(Cn2cccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517336 EI Annotated Anodyne CC(C)(C)[C@]1(Cn2cccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517337 EI Annotated Anodyne Cn1cc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 ZINC000587517382 EI Annotated Anodyne Cn1cc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 ZINC000587517383 EI Annotated Anodyne Cn1cc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 ZINC000587517392 EI Annotated Anodyne Cn1cc2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 ZINC000587517393 EI Annotated Anodyne Cn1cc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 ZINC000587517430 EI Annotated Anodyne Cn1cc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 ZINC000587517431 EI Annotated Anodyne O=C1C[C@@H](c2ccc(-n3cccn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517480 EI Annotated Anodyne O=C1C[C@H](c2ccc(-n3cccn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517481 EI Annotated Anodyne Cn1ncc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c21 ZINC000587517486 EI Annotated Anodyne Cn1ncc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c21 ZINC000587517487 EI Annotated Anodyne Cn1ncc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 ZINC000587517545 EI Annotated Anodyne Cn1ncc2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 ZINC000587517546 EI Annotated Anodyne Cn1cc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 ZINC000587517568 EI Annotated Anodyne Cn1cc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 ZINC000587517569 EI Annotated Anodyne C[C@H]1CCCCN1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517570 EI Annotated Anodyne C[C@@H]1CCCCN1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517571 EI Annotated Anodyne C[C@@H]1CCCCN1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517572 EI Annotated Anodyne C[C@H]1CCCCN1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517573 EI Annotated Anodyne O=C1C[C@@H](c2cnn(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517628 EI Annotated Anodyne O=C1C[C@H](c2cnn(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517629 EI Annotated Anodyne Cn1ncc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587517837 EI Annotated Anodyne Cn1ncc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587517838 EI Annotated Anodyne O=C1C[C@@H](c2ccnn2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587517843 EI Annotated Anodyne O=C1C[C@H](c2ccnn2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587517844 EI Annotated Anodyne Cn1ncc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587517875 EI Annotated Anodyne Cn1ncc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587517876 EI Annotated Anodyne Cn1ncc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 ZINC000587517917 EI Annotated Anodyne Cn1ncc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 ZINC000587517918 EI Annotated Anodyne Cn1ncc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587517997 EI Annotated Anodyne Cn1ncc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587517998 EI Annotated Anodyne Cn1cc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 ZINC000587518059 EI Annotated Anodyne Cn1cc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 ZINC000587518060 EI Annotated Anodyne CCn1ncc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587518061 EI Annotated Anodyne CCn1ncc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587518062 EI Annotated Anodyne COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587518344 EI Annotated Anodyne COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587518345 EI Annotated Anodyne CN1CCOc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587518366 EI Annotated Anodyne CN1CCOc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587518367 EI Annotated Anodyne CCc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 ZINC000587518484 EI Annotated Anodyne CCc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 ZINC000587518485 EI Annotated Anodyne O=C1CC2(C[C@@H]3CC[C@H](C2)N3C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587518508 EI Annotated Anodyne CCCOc1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518568 EI Annotated Anodyne CCCOc1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518569 EI Annotated Anodyne CC(C)Oc1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519122 EI Annotated Anodyne CC(C)Oc1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519123 EI Annotated Anodyne Cc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 ZINC000587519156 EI Annotated Anodyne Cc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 ZINC000587519157 EI Annotated Anodyne COc1ncc(C)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519311 EI Annotated Anodyne COc1ncc(C)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519312 EI Annotated Anodyne CCCC(=O)O[C@@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520515 EI Annotated Anodyne CCCC(=O)O[C@@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520516 EI Annotated Anodyne CCCC(=O)O[C@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520517 EI Annotated Anodyne CCCC(=O)O[C@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520518 EI Annotated Anodyne Cc1cccc(C)c1C(=O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520598 EI Annotated Anodyne Cc1cccc(C)c1C(=O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520599 EI Annotated Anodyne CCC[C@]1([C@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520666 EI Annotated Anodyne CCC[C@]1([C@@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520667 EI Annotated Anodyne CCC[C@@]1([C@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520668 EI Annotated Anodyne CCC[C@@]1([C@@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520669 EI Annotated Anodyne CCOC(=O)C[C@]1(CC2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520671 EI Annotated Anodyne CCOC(=O)C[C@@]1(CC2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520677 EI Annotated Anodyne CCCC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520889 EI Annotated Anodyne CCCC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520890 EI Annotated Anodyne CCOC(=O)C[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520972 EI Annotated Anodyne CCOC(=O)C[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520974 EI Annotated Anodyne CCOC(=O)C[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520977 EI Annotated Anodyne CCOC(=O)C[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520979 EI Annotated Anodyne CCOC(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521006 EI Annotated Anodyne CCOC(=O)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521007 EI Annotated Anodyne CCOC(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521008 EI Annotated Anodyne CCOC(=O)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521009 EI Annotated Anodyne CCC[C@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521031 EI Annotated Anodyne CCC[C@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521032 EI Annotated Anodyne CCC[C@@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521033 EI Annotated Anodyne CCC[C@@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521034 EI Annotated Anodyne O=C1C[C@@H](c2cccc(-c3ncon3)c2)Oc2c1ccc1c2CCCC1 ZINC000587521059 EI Annotated Anodyne O=C1C[C@H](c2cccc(-c3ncon3)c2)Oc2c1ccc1c2CCCC1 ZINC000587521062 EI Annotated Anodyne O=C1C[C@@H](c2c[nH]c3cccc(O)c23)Oc2c1ccc1c2CCCC1 ZINC000587521078 EI Annotated Anodyne O=C1C[C@H](c2c[nH]c3cccc(O)c23)Oc2c1ccc1c2CCCC1 ZINC000587521083 EI Annotated Anodyne COc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521111 EI Annotated Anodyne COc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521128 EI Annotated Anodyne CC1(C)Cc2n[nH]cc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521272 EI Annotated Anodyne CC1(C)Cc2n[nH]cc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521305 EI Annotated Anodyne CCOC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 ZINC000587521407 EI Annotated Anodyne CCOC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 ZINC000587521410 EI Annotated Anodyne N#Cc1cnc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521446 EI Annotated Mild N#Cc1cnc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521458 EI Annotated Mild CCC[C@@]1(C2CCNCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521575 EI Annotated Anodyne CCCCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521581 EI Annotated Anodyne CCC[C@]1(C2CCNCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521583 EI Annotated Anodyne CCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521585 EI Annotated Anodyne COCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521663 EI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521664 EI Annotated Anodyne COCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521670 EI Annotated Anodyne CC(=O)C[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521674 EI Annotated Anodyne CC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521676 EI Annotated Anodyne CCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521680 EI Annotated Anodyne CCC[C@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521681 EI Annotated Anodyne CCCCOC(=O)CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521711 EI Annotated Anodyne CCCCOC(=O)CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521712 EI Annotated Anodyne CC(C)CCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521729 EI Annotated Anodyne CC(C)CCOC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521730 EI Annotated Anodyne CC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521798 EI Annotated Anodyne CCOc1cc(O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521955 EI Annotated Anodyne CCOc1cc(O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521967 EI Annotated Anodyne COC(=O)[C@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522115 EI Annotated Anodyne COC(=O)[C@@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522118 EI Annotated Anodyne COC(=O)[C@@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522120 EI Annotated Anodyne COC(=O)[C@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522123 EI Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587522177 EI Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587522182 EI Annotated Anodyne CCOC(=O)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522262 EI Annotated Anodyne CCOC(=O)C[C@]1(C2(C)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522300 EI Annotated Anodyne CCOC(=O)C[C@@]1(C2(C)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522302 EI Annotated Anodyne CC(C)(C)OC(=O)C1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587522329 EI Annotated Anodyne C#CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522339 EI Annotated Mild CCOC(=O)CC[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522343 EI Annotated Anodyne CCOC(=O)CC[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522344 EI Annotated Anodyne C#CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522353 EI Annotated Mild C=C1C=C(C)n2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2N1 ZINC000587522383 EI Annotated Anodyne C=C1C=C(C)n2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2N1 ZINC000587522392 EI Annotated Anodyne COCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522397 EI Annotated Anodyne COCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522398 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCN2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522412 EI Annotated Anodyne C#CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522415 EI Annotated Mild C#CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522416 EI Annotated Mild COc1ccc2c(c1)[C@]1(CCN2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522419 EI Annotated Anodyne CCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522433 EI Annotated Anodyne CCCC[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522434 EI Annotated Anodyne CCO[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587522498 EI Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587522499 EI Annotated Anodyne CCO[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587522500 EI Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587522501 EI Annotated Anodyne CCC1(CC)[C@@H](OC)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522623 EI Annotated Anodyne CCC1(CC)[C@H](OC)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522625 EI Annotated Anodyne CCC1(CC)[C@@H](OC)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522626 EI Annotated Anodyne COC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587522627 EI Annotated Anodyne CCC1(CC)[C@H](OC)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522628 EI Annotated Anodyne COC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587522638 EI Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522719 EI Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522723 EI Annotated Anodyne CCC[C@]1([C@@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522793 EI Annotated Anodyne CCC[C@@]1([C@@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522795 EI Annotated Anodyne CCC[C@]1([C@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522797 EI Annotated Anodyne CCC[C@@]1([C@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522799 EI Annotated Anodyne O=C1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2N1 ZINC000587522919 EI Annotated Anodyne O=C1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2N1 ZINC000587522920 EI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522933 EI Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522937 EI Annotated Anodyne CCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522945 EI Annotated Anodyne CCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522947 EI Annotated Anodyne CCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522948 EI Annotated Anodyne CCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522950 EI Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522952 EI Annotated Anodyne CCOC(=O)[C@@H](C(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522954 EI Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522955 EI Annotated Anodyne CCOC(=O)[C@@H](C(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522956 EI Annotated Anodyne COC[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522968 EI Annotated Anodyne COC[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522976 EI Annotated Anodyne C[C@@]1(c2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523050 EI Annotated Anodyne C[C@]1(c2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523051 EI Annotated Anodyne COc1ccc2c(c1)NCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523075 EI Annotated Anodyne COc1ccc2c(c1)NCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523076 EI Annotated Anodyne O=C1C[C@@H](c2c[nH]nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587523162 EI Annotated Anodyne O=C1C[C@H](c2c[nH]nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587523171 EI Annotated Anodyne Cc1cc(C)cc([C@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523277 EI Annotated Mild Cc1cc(C)cc([C@@]2(C=O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523281 EI Annotated Mild C[C@]1(c2cnc3cccnc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523286 EI Annotated Anodyne C[C@@]1(c2cnc3cccnc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523288 EI Annotated Anodyne CC(C)C[C@]1([C@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523290 EI Annotated Anodyne CC(=O)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523294 EI Annotated Anodyne CC(=O)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523295 EI Annotated Anodyne CC(C)C[C@@]1([C@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523301 EI Annotated Anodyne CC(C)C[C@]1([C@@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523302 EI Annotated Anodyne CC(C)C[C@@]1([C@@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523303 EI Annotated Anodyne C[C@@]1(c2ccc3nc[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523304 EI Annotated Anodyne C[C@]1(c2ccc3nc[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523306 EI Annotated Anodyne C[C@]1(C[C@@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523471 EI Annotated Anodyne C[C@@]1(C[C@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523472 EI Annotated Anodyne C[C@]1(C[C@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523473 EI Annotated Anodyne C[C@@]1(C[C@@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523474 EI Annotated Anodyne COc1cccc2c1C[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523479 EI Annotated Anodyne COc1cccc2c1C[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523487 EI Annotated Anodyne COc1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523497 EI Annotated Anodyne COc1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523498 EI Annotated Anodyne COC(=O)C1(C)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523508 EI Annotated Anodyne COC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523509 EI Annotated Anodyne COC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523510 EI Annotated Anodyne COC(=O)C[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523511 EI Annotated Anodyne COC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523512 EI Annotated Anodyne CCOC(=O)C[C@@]1([C@@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523550 EI Annotated Anodyne CCOC(=O)C[C@]1([C@@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523552 EI Annotated Anodyne CCOC(=O)C[C@@]1([C@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523554 EI Annotated Anodyne COC(=O)CC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523555 EI Annotated Anodyne CCOC(=O)C[C@]1([C@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523556 EI Annotated Anodyne CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587523564 EI Annotated Anodyne CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587523565 EI Annotated Anodyne COC(=O)CCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523577 EI Annotated Anodyne COC(=O)CCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523579 EI Annotated Anodyne CC[C@]1([C@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523611 EI Annotated Anodyne CC[C@@]1([C@@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523612 EI Annotated Anodyne CC[C@@]1([C@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523613 EI Annotated Anodyne CC[C@]1([C@@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523614 EI Annotated Anodyne CCOC(=O)C[C@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523682 EI Annotated Anodyne CCOC(=O)C[C@@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523684 EI Annotated Anodyne O=C1C[C@@]2(C[C@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587523751 EI Annotated Anodyne O=C1C[C@]2(C[C@@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587523756 EI Annotated Anodyne O=C1C[C@@]2(C[C@@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587523759 EI Annotated Anodyne O=C1C[C@]2(C[C@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 ZINC000587523762 EI Annotated Anodyne C[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523808 EI Annotated Anodyne C[C@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523809 EI Annotated Anodyne Cc1cccc(C)c1[C@]1(C=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523884 EI Annotated Mild Cc1cccc(C)c1[C@@]1(C=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523886 EI Annotated Mild C[C@@]1(c2cc[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523891 EI Annotated Anodyne C[C@]1(c2cc[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523894 EI Annotated Anodyne C[C@@H]1CC(C)(C)CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523956 EI Annotated Anodyne C[C@@H]1CC(C)(C)CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523958 EI Annotated Anodyne C[C@H]1CC(C)(C)CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523961 EI Annotated Anodyne C[C@H]1CC(C)(C)CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523964 EI Annotated Anodyne O=C1C[C@@H](c2ccc3c(n2)NCCC3)Oc2c1ccc1c2CCCC1 ZINC000587524060 EI Annotated Anodyne O=C1C[C@H](c2ccc3c(n2)NCCC3)Oc2c1ccc1c2CCCC1 ZINC000587524069 EI Annotated Anodyne O=C1C[C@@H](c2ccnc3ncccc23)Oc2c1ccc1c2CCCC1 ZINC000587524087 EI Annotated Anodyne O=C1C[C@H](c2ccnc3ncccc23)Oc2c1ccc1c2CCCC1 ZINC000587524103 EI Annotated Anodyne CO[C@@H]1[C@H](C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587524114 EI Annotated Anodyne CO[C@@H]1[C@@H](C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587524115 EI Annotated Anodyne CO[C@@H]1[C@H](C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587524116 EI Annotated Anodyne CO[C@@H]1[C@@H](C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 ZINC000587524117 EI Annotated Anodyne COc1ccc2[nH]c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 ZINC000587524188 EI Annotated Anodyne COc1ccc2[nH]c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 ZINC000587524193 EI Annotated Anodyne Cc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c12 ZINC000587524200 EI Annotated Anodyne Cc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c12 ZINC000587524202 EI Annotated Anodyne COc1ccc2c(c1)C[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524245 EI Annotated Anodyne COc1ccc2c(c1)C[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524246 EI Annotated Anodyne COC(=O)C[C@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524318 EI Annotated Anodyne COC(=O)C[C@@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524320 EI Annotated Anodyne CC(C)O[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524580 EI Annotated Anodyne CC(C)O[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524582 EI Annotated Anodyne CC(C)O[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524583 EI Annotated Anodyne CC(C)O[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524585 EI Annotated Anodyne COc1nccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587524635 EI Annotated Anodyne COc1nccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587524637 EI Annotated Anodyne C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524759 EI Annotated Anodyne C[C@@H]1CC(C)(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524765 EI Annotated Anodyne C[C@H]1CC(C)(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524769 EI Annotated Anodyne C[C@H]1CC(C)(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587524771 EI Annotated Anodyne COc1ccc(O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524883 EI Annotated Anodyne COc1ccc(O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524887 EI Annotated Anodyne C[C@@]1(c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524926 EI Annotated Anodyne C[C@]1(c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524927 EI Annotated Anodyne C[C@]1(c2cnc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525061 EI Annotated Anodyne C[C@@]1(c2cnc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525062 EI Annotated Anodyne C=CC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525128 EI Annotated Mild C=CC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525129 EI Annotated Mild C=CC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525130 EI Annotated Mild CC/C=C/CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525250 EI Annotated Anodyne Cc1cc(C)cc(C(=O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525251 EI Annotated Anodyne Cc1cc(C)cc(C(=O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525252 EI Annotated Anodyne CC/C=C/CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525258 EI Annotated Anodyne CC/C=C\CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525259 EI Annotated Anodyne CC/C=C\CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525260 EI Annotated Anodyne C[C@@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C ZINC000587525295 EI Annotated Anodyne C[C@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C ZINC000587525296 EI Annotated Anodyne C[C@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C ZINC000587525297 EI Annotated Anodyne C[C@@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C ZINC000587525299 EI Annotated Anodyne CC(C)C1=CC=CC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587525403 EI Annotated Mild CC(C)C1=CC=CC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587525404 EI Annotated Mild Cc1ccnc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587525488 EI Annotated Anodyne Cc1ccnc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587525490 EI Annotated Anodyne C[C@@]1(c2c[nH]c3ccncc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525521 EI Annotated Anodyne C[C@]1(c2c[nH]c3ccncc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525524 EI Annotated Anodyne C[C@@]1(c2ccc3c[nH]nc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525536 EI Annotated Anodyne C[C@]1(c2ccc3c[nH]nc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525537 EI Annotated Anodyne Cc1c[nH]c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587525592 EI Annotated Anodyne Cc1c[nH]c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587525593 EI Annotated Anodyne COc1n[nH]c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587525598 EI Annotated Anodyne COc1n[nH]c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587525600 EI Annotated Anodyne C=CC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525611 EI Annotated Mild COC(=O)[C@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525642 EI Annotated Anodyne COC(=O)[C@@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525644 EI Annotated Anodyne COC(=O)[C@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525649 EI Annotated Anodyne COC(=O)[C@@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525653 EI Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587525793 EI Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587525794 EI Annotated Anodyne CCCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525895 EI Annotated Anodyne CCCCC[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525896 EI Annotated Anodyne CC[C@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525898 EI Annotated Anodyne CC[C@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525900 EI Annotated Anodyne CC[C@@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525901 EI Annotated Anodyne CC[C@@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525902 EI Annotated Anodyne CCOC(=O)[C@@]1(CC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525935 EI Annotated Anodyne CCOC(=O)[C@]1(CC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525937 EI Annotated Anodyne C#CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525960 EI Annotated Mild C#CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525961 EI Annotated Mild CCCCCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525972 EI Annotated Anodyne CCCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525973 EI Annotated Anodyne CC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526030 EI Annotated Anodyne C[C@@]1(c2c[nH]c3nccc-3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526111 EI Annotated Anodyne C[C@]1(c2c[nH]c3nccc-3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526112 EI Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526129 EI Annotated Anodyne COC(=O)c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526132 EI Annotated Anodyne C#Cc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526206 EI Annotated Mild C#Cc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526217 EI Annotated Mild O=C1C[C@@H](c2c[nH]c3ccc(O)cc23)Oc2c1ccc1c2CCCC1 ZINC000587526272 EI Annotated Anodyne O=C1C[C@H](c2c[nH]c3ccc(O)cc23)Oc2c1ccc1c2CCCC1 ZINC000587526274 EI Annotated Anodyne Cc1cnc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587526289 EI Annotated Anodyne O=C1C[C@@H](c2cnc3cccnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587526290 EI Annotated Anodyne Cc1cnc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587526292 EI Annotated Anodyne O=C1C[C@H](c2cnc3cccnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587526294 EI Annotated Anodyne CC1(C)Cc2nc[nH]c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587526302 EI Annotated Anodyne CC1(C)Cc2nc[nH]c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587526305 EI Annotated Anodyne CC(=O)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526311 EI Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1O ZINC000587526420 EI Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1O ZINC000587526421 EI Annotated Anodyne COc1cccc2c1CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526424 EI Annotated Anodyne COc1cccc2c1CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526425 EI Annotated Anodyne C[C@@]1(c2c[nH]c3cccnc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526450 EI Annotated Anodyne C[C@]1(c2c[nH]c3cccnc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526451 EI Annotated Anodyne Cc1ccc2[nH]nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587526453 EI Annotated Anodyne Cc1ccc2[nH]nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587526456 EI Annotated Anodyne O=C1C[C@@H](c2ccc(-c3nnco3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587526529 EI Annotated Anodyne O=C1C[C@H](c2ccc(-c3nnco3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587526532 EI Annotated Anodyne CC(C)(C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526536 EI Annotated Anodyne CC(C)(C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526537 EI Annotated Anodyne C#CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526702 EI Annotated Mild C#CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526704 EI Annotated Mild C[C@@]1(c2cccc3c[nH]nc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526921 EI Annotated Anodyne C[C@]1(c2cccc3c[nH]nc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526922 EI Annotated Anodyne COc1cc(OC)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587526987 EI Annotated Anodyne COc1cc(OC)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587526989 EI Annotated Anodyne COc1ccc2[nH]nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587527005 EI Annotated Anodyne COc1ccc2[nH]nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587527007 EI Annotated Anodyne CCOC(=O)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527080 EI Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527083 EI Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527086 EI Annotated Anodyne CCOC(=O)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587527089 EI Annotated Anodyne CCOC(=O)CCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527118 EI Annotated Anodyne CCOC(=O)CCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527120 EI Annotated Anodyne C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCCC[C@H]2N1 ZINC000587527149 EI Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527164 EI Annotated Anodyne C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCCC[C@H]2N1 ZINC000587527168 EI Annotated Anodyne COc1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527170 EI Annotated Anodyne COc1cccc2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527179 EI Annotated Anodyne COc1cccc2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527183 EI Annotated Anodyne CCCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527210 EI Annotated Anodyne CCCC[C@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527213 EI Annotated Anodyne CCOc1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527222 EI Annotated Anodyne C[C@]1(c2ccc3c(c2)CNCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527283 EI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CNCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527286 EI Annotated Anodyne C[C@@]1(c2ccc3nc(O)oc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527347 EI Annotated Anodyne C[C@]1(c2ccc3nc(O)oc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527348 EI Annotated Anodyne CCOc1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527464 EI Annotated Anodyne CCOC(=O)C[C@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527502 EI Annotated Anodyne CCOC(=O)C[C@@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527504 EI Annotated Anodyne COc1ccc2c(c1)CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587527565 EI Annotated Anodyne COc1ccc2c(c1)CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587527567 EI Annotated Anodyne COc1ccc2c(c1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587527570 EI Annotated Anodyne COc1ccc2c(c1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587527575 EI Annotated Anodyne C/C=C/CC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527620 EI Annotated Anodyne C/C=C\CC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527621 EI Annotated Anodyne C/C=C/CC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527622 EI Annotated Anodyne C/C=C\CC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527623 EI Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587527630 EI Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587527632 EI Annotated Anodyne C[C@@]1(c2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527658 EI Annotated Anodyne C[C@]1(c2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527660 EI Annotated Anodyne C[C@@]1(c2c[nH]c3cnccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527673 EI Annotated Anodyne C[C@]1(c2c[nH]c3cnccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527675 EI Annotated Anodyne O=C1C[C@@H](c2cc(-c3ccccn3)[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587527681 EI Annotated Anodyne O=C1C[C@H](c2cc(-c3ccccn3)[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587527682 EI Annotated Anodyne Cc1nccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587527687 EI Annotated Anodyne Cc1nccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587527688 EI Annotated Anodyne O=C1C[C@H](c2[nH]nnc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587527727 EI Annotated Anodyne O=C1C[C@@H](c2[nH]nnc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587527728 EI Annotated Anodyne CC1(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(C)(C)N1 ZINC000587527739 EI Annotated Anodyne CCc1noc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527770 EI Annotated Anodyne CCc1noc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527771 EI Annotated Anodyne CCOC(=O)C[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527802 EI Annotated Anodyne CCOC(=O)C[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527803 EI Annotated Anodyne C[C@]12CC(=O)C[C@@]1(C)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587527850 EI Annotated Anodyne C[C@]12CC(=O)C[C@@]1(C)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587527854 EI Annotated Anodyne O=C1C[C@@H](c2ccc3cccnc3n2)Oc2c1ccc1c2CCCC1 ZINC000587527920 EI Annotated Anodyne O=C1C[C@H](c2ccc3cccnc3n2)Oc2c1ccc1c2CCCC1 ZINC000587527921 EI Annotated Anodyne O=C1C[C@@H](c2cnc3ccccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587527978 EI Annotated Anodyne O=C1C[C@H](c2cnc3ccccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587527979 EI Annotated Anodyne O=C1C[C@@H](c2ccc3nccnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587528051 EI Annotated Anodyne O=C1C[C@H](c2ccc3nccnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587528052 EI Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528086 EI Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528087 EI Annotated Anodyne COc1cccc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528104 EI Annotated Anodyne COc1cccc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528105 EI Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cc[nH]n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587528151 EI Annotated Anodyne O=C1C[C@H](c2ccc(-c3cc[nH]n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587528157 EI Annotated Anodyne C[C@@]1(c2cccc3[nH]ncc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528187 EI Annotated Anodyne C[C@]1(c2cccc3[nH]ncc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528189 EI Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ncon3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587528335 EI Annotated Anodyne O=C1C[C@H](c2ccc(-c3ncon3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587528336 EI Annotated Anodyne O=C1C[C@@H](c2cccc3nccnc23)Oc2c1ccc1c2CCCC1 ZINC000587528349 EI Annotated Anodyne O=C1C[C@H](c2cccc3nccnc23)Oc2c1ccc1c2CCCC1 ZINC000587528350 EI Annotated Anodyne O=C1C[C@@H](c2cc(-c3cccnc3)[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587528422 EI Annotated Anodyne O=C1C[C@H](c2cc(-c3cccnc3)[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587528423 EI Annotated Anodyne O=C1C[C@H](c2c(O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587528424 EI Annotated Anodyne O=C1C[C@@H](c2c(O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587528425 EI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCN3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528436 EI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCN3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528437 EI Annotated Anodyne CC(C)(C)CC[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528490 EI Annotated Anodyne CC(C)(C)CC[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528491 EI Annotated Anodyne CC(C)(CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587528598 EI Annotated Anodyne CC(C)(CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587528599 EI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 ZINC000587528879 EI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 ZINC000587528880 EI Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 ZINC000587528883 EI Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528923 EI Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528924 EI Annotated Anodyne CC1(C)C[C@@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528950 EI Annotated Anodyne CC1(C)C[C@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528951 EI Annotated Anodyne CC1(C)C[C@@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528952 EI Annotated Anodyne CC1(C)C[C@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528953 EI Annotated Anodyne O=C(O)c1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529007 EI Annotated Anodyne O=C(O)c1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529010 EI Annotated Anodyne CC(C)(O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529011 EI Annotated Anodyne CC(C)(O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529013 EI Annotated Anodyne Cc1ccc([C@]2([C@@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529087 EI Annotated Anodyne Cc1ccc([C@@]2([C@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529089 EI Annotated Anodyne Cc1ccc([C@]2([C@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529090 EI Annotated Anodyne Cc1ccc([C@@]2([C@@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529091 EI Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529161 EI Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529162 EI Annotated Anodyne Cc1cc(C(=O)O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529168 EI Annotated Anodyne Cc1cc(C(=O)O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529169 EI Annotated Anodyne O=C(O)c1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529170 EI Annotated Anodyne O=C(O)c1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529171 EI Annotated Anodyne CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529230 EI Annotated Anodyne CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529231 EI Annotated Anodyne CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529232 EI Annotated Anodyne CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529233 EI Annotated Anodyne CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529234 EI Annotated Anodyne CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529235 EI Annotated Anodyne CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529236 EI Annotated Anodyne CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529237 EI Annotated Anodyne C[C@@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529320 EI Annotated Anodyne C[C@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529321 EI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)C=Cc1ccccc12 ZINC000587529335 EI Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)C=Cc1ccccc12 ZINC000587529336 EI Annotated Mild CCOC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587529355 EI Annotated Anodyne CCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587529356 EI Annotated Anodyne O=C1C[C@@]2(CCCc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587529419 EI Annotated Anodyne O=C1C[C@]2(CCCc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587529420 EI Annotated Anodyne Cc1cc(C=O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587529440 EI Annotated Anodyne Cc1cc(C=O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587529441 EI Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529552 EI Annotated Mild C[C@@]12CCC(=O)C=C1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529555 EI Annotated Mild C[C@]12CCC(=O)C=C1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529556 EI Annotated Mild C[C@@]12CCC(=O)C=C1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529558 EI Annotated Mild C[C@@]1(c2cccc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529582 EI Annotated Anodyne C[C@]1(c2cccc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529583 EI Annotated Anodyne CCCCCC[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529591 EI Annotated Anodyne CCCCCC[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529592 EI Annotated Anodyne O=C(O)/C=C/c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529594 EI Annotated Anodyne O=C(O)/C=C/c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529599 EI Annotated Anodyne COC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529777 EI Annotated Anodyne COC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529778 EI Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C=O)c1O ZINC000587529798 EI Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C=O)c1O ZINC000587529799 EI Annotated Anodyne C[C@H](O)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529802 EI Annotated Anodyne C[C@H](O)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529803 EI Annotated Anodyne C[C@@H](O)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529804 EI Annotated Anodyne C[C@@H](O)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529805 EI Annotated Anodyne O=C1C[C@@]2(CC[C@@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529828 EI Annotated Anodyne O=C1C[C@]2(CC[C@@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529829 EI Annotated Anodyne O=C1C[C@@]2(CC[C@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529830 EI Annotated Anodyne O=C1C[C@]2(CC[C@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529831 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529858 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529859 EI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529860 EI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529861 EI Annotated Anodyne Cc1cc(C(=O)O)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529883 EI Annotated Anodyne Cc1cc(C(=O)O)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529884 EI Annotated Anodyne O=C(O)/C=C/c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529900 EI Annotated Anodyne O=C(O)/C=C/c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529901 EI Annotated Anodyne CC(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530108 EI Annotated Anodyne CC(=O)Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530115 EI Annotated Anodyne C[C@@]1(c2ccc(C=O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530271 EI Annotated Anodyne C[C@]1(c2ccc(C=O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530273 EI Annotated Anodyne C[C@@]1(c2cc(C(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530283 EI Annotated Anodyne C[C@]1(c2cc(C(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530284 EI Annotated Anodyne COC(=O)c1sccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530289 EI Annotated Anodyne COC(=O)c1sccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530290 EI Annotated Anodyne C[C@@]1(c2ccsc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530295 EI Annotated Anodyne C[C@]1(c2ccsc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530296 EI Annotated Anodyne CCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C ZINC000587530348 EI Annotated Anodyne CCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C ZINC000587530349 EI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 ZINC000587530367 EI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 ZINC000587530368 EI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 ZINC000587530369 EI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 ZINC000587530370 EI Annotated Anodyne C[C@]1(CCCCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530405 EI Annotated Anodyne C[C@@]1(CCCCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530406 EI Annotated Anodyne CC1(C)[C@@H](C(=O)O)C[C@H]1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530409 EI Annotated Anodyne CC1(C)[C@@H](C(=O)O)C[C@H]1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530413 EI Annotated Anodyne O=C1CC2(CCC3(CCOC3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587530546 EI Annotated Anodyne CN(C)Cc1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530603 EI Annotated Anodyne CN(C)Cc1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530606 EI Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530664 EI Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530666 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530871 EI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530872 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530873 EI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530874 EI Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530875 EI Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587530876 EI Annotated Anodyne O=C1C[C@H](c2ccc(C#CCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530968 EI Annotated Mild O=C1C[C@@H](c2ccc(C#CCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530971 EI Annotated Mild O=C1C[C@@](CC2CCCCC2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587530987 EI Annotated Anodyne O=C1C[C@](CC2CCCCC2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587530988 EI Annotated Anodyne C[C@@]1(c2csc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531015 EI Annotated Anodyne C[C@]1(c2csc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531016 EI Annotated Anodyne O=C(O)c1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531061 EI Annotated Anodyne O=C(O)c1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531065 EI Annotated Anodyne C[S@](=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531202 EI Annotated Anodyne C[S@](=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531206 EI Annotated Anodyne C[S@@](=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531207 EI Annotated Anodyne C[S@@](=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531208 EI Annotated Anodyne O=C(O)CC[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531335 EI Annotated Anodyne O=C(O)CC[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531336 EI Annotated Anodyne O=C(O)CC[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531337 EI Annotated Anodyne O=C(O)CC[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587531338 EI Annotated Anodyne CC(C)(CCC(=O)O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531341 EI Annotated Anodyne CC(C)(CCC(=O)O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531342 EI Annotated Anodyne Cc1ccc(C)c([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531384 EI Annotated Anodyne Cc1ccc(C)c([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531385 EI Annotated Anodyne CCOC(=O)c1coc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531454 EI Annotated Anodyne CCOC(=O)c1coc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531457 EI Annotated Anodyne O=C1C[C@@H](c2ccc([N+](=O)[O-])s2)Oc2c1ccc1c2CCCC1 ZINC000587531460 EI Annotated Bother O=C1C[C@H](c2ccc([N+](=O)[O-])s2)Oc2c1ccc1c2CCCC1 ZINC000587531461 EI Annotated Bother CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531491 EI Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531492 EI Annotated Anodyne O=C1C[C@]2(C=COc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587531644 EI Annotated Anodyne O=C1C[C@@]2(C=COc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587531647 EI Annotated Anodyne O=C1C[C@@H](c2scc3c2OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587531823 EI Annotated Anodyne O=C1C[C@H](c2scc3c2OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587531827 EI Annotated Anodyne O=C1C[C@]2(CCc3cc(O)ccc3C2)Oc2c1ccc1c2CCCC1 ZINC000587531841 EI Annotated Anodyne O=C1C[C@@]2(CCc3cc(O)ccc3C2)Oc2c1ccc1c2CCCC1 ZINC000587531842 EI Annotated Anodyne C[C@@]1(c2ccc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531916 EI Annotated Anodyne C[C@]1(c2ccc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531918 EI Annotated Anodyne O=C1C[C@@H](c2csc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587532009 EI Annotated Bother O=C1C[C@H](c2csc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587532010 EI Annotated Bother O=C1C[C@]2(CCc3ccc(O)cc3C2)Oc2c1ccc1c2CCCC1 ZINC000587532201 EI Annotated Anodyne O=C1C[C@@]2(CCc3ccc(O)cc3C2)Oc2c1ccc1c2CCCC1 ZINC000587532202 EI Annotated Anodyne O=C1C[C@@]2(CCCc3c(O)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587532212 EI Annotated Anodyne O=C1C[C@]2(CCCc3c(O)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587532213 EI Annotated Anodyne Cc1cc(C(=O)O)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532366 EI Annotated Anodyne Cc1cc(C(=O)O)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532367 EI Annotated Anodyne O=C(O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532385 EI Annotated Anodyne O=C(O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532387 EI Annotated Anodyne Cc1ccc2c(c1)OC(=O)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532588 EI Annotated Anodyne Cc1ccc2c(c1)OC(=O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532589 EI Annotated Anodyne O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532784 EI Annotated Anodyne O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532787 EI Annotated Anodyne CC(=O)Nc1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532790 EI Annotated Anodyne CC(=O)Nc1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532793 EI Annotated Anodyne O=C1C[C@@H](c2ccc3oc(=O)ccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587532846 EI Annotated Anodyne O=C1C[C@H](c2ccc3oc(=O)ccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587532851 EI Annotated Anodyne O=C1C[C@@H](c2coc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587532938 EI Annotated Anodyne O=C1C[C@H](c2coc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587532940 EI Annotated Anodyne COC(=O)c1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533227 EI Annotated Anodyne COC(=O)c1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533229 EI Annotated Anodyne Cc1ccc2c(c1)[C@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533357 EI Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533359 EI Annotated Anodyne COc1ccc2c(c1)OC=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533745 EI Annotated Anodyne COc1ccc2c(c1)OC=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533749 EI Annotated Anodyne C[C@@]1(c2cc(C=O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533968 EI Annotated Anodyne C[C@]1(c2cc(C=O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533969 EI Annotated Anodyne CCOCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587534055 EI Annotated Anodyne CCOCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587534056 EI Annotated Anodyne CCOCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534070 EI Annotated Anodyne CCOCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534079 EI Annotated Anodyne CCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587534319 EI Annotated Anodyne CCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587534322 EI Annotated Anodyne CC1(C)[C@@H]2OCCC[C@H]2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534344 EI Annotated Anodyne CC1(C)[C@@H]2OCCC[C@@H]2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534345 EI Annotated Anodyne CC1(C)[C@@H]2OCCC[C@H]2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534346 EI Annotated Anodyne CC1(C)[C@@H]2OCCC[C@@H]2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534347 EI Annotated Anodyne O=C1C[C@@]2(CCCc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587534620 EI Annotated Anodyne O=C1C[C@]2(CCCc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587534621 EI Annotated Anodyne Cc1cc(C=O)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534712 EI Annotated Anodyne Cc1cc(C=O)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534717 EI Annotated Anodyne COc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534734 EI Annotated Anodyne COc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534740 EI Annotated Anodyne O=C1C[C@@]2(CCc3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 ZINC000587534967 EI Annotated Anodyne O=C1C[C@]2(CCc3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 ZINC000587534972 EI Annotated Anodyne O=C1C[C@H](c2sc(O)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587535094 EI Annotated Anodyne O=C1C[C@@H](c2sc(O)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587535098 EI Annotated Anodyne O=C1C[C@@]2(CCc3ccccc3OC2)Oc2c1ccc1c2CCCC1 ZINC000587535220 EI Annotated Anodyne O=C1C[C@]2(CCc3ccccc3OC2)Oc2c1ccc1c2CCCC1 ZINC000587535221 EI Annotated Anodyne Cc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 ZINC000587535222 EI Annotated Anodyne Cc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 ZINC000587535228 EI Annotated Anodyne O=C1C[C@@](c2ccccc2)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535428 EI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535429 EI Annotated Anodyne O=C1C[C@](c2ccccc2)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535432 EI Annotated Anodyne O=C1C[C@@](c2ccccc2)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535433 EI Annotated Anodyne O=C1CC2(CCC3(CCCO3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587535558 EI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CCO[C@H]1C21CCCC1 ZINC000587535561 EI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CCO[C@H]1C21CCCC1 ZINC000587535562 EI Annotated Anodyne C[C@@]1(c2nc3c(s2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535599 EI Annotated Anodyne C[C@]1(c2nc3c(s2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535600 EI Annotated Anodyne Cc1nc(N(C)C)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535618 EI Annotated Anodyne Cc1nc(N(C)C)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535621 EI Annotated Anodyne O=C1C[C@@H](c2nc3c(s2)CCC3)Oc2c1ccc1c2CCCC1 ZINC000587535632 EI Annotated Anodyne O=C1C[C@H](c2nc3c(s2)CCC3)Oc2c1ccc1c2CCCC1 ZINC000587535634 EI Annotated Anodyne O=C1C[C@H]([C@@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 ZINC000587535649 EI Annotated Anodyne O=C1C[C@@H]([C@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 ZINC000587535650 EI Annotated Anodyne O=C1C[C@H]([C@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 ZINC000587535651 EI Annotated Anodyne O=C1C[C@@H]([C@@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 ZINC000587535652 EI Annotated Anodyne O=C1C[C@H]([C@@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587535710 EI Annotated Anodyne O=C1C[C@H]([C@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587535711 EI Annotated Anodyne O=C1C[C@@H]([C@@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587535712 EI Annotated Anodyne O=C1C[C@@H]([C@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587535713 EI Annotated Anodyne O=C1C[C@](CCl)(c2cscn2)Oc2c1ccc1c2CCCC1 ZINC000587535752 EI Annotated Reactive O=C1C[C@@](CCl)(c2cscn2)Oc2c1ccc1c2CCCC1 ZINC000587535761 EI Annotated Reactive C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535836 EI Annotated Anodyne C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535842 EI Annotated Anodyne O=C1C[C@H]([C@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535898 EI Annotated Anodyne O=C1C[C@H]([C@@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535905 EI Annotated Anodyne O=C1C[C@@H]([C@@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535906 EI Annotated Anodyne O=C1C[C@@H]([C@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587535907 EI Annotated Anodyne CCOc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535928 EI Annotated Anodyne CCOc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535931 EI Annotated Anodyne O=C1C[C@@H](c2cccc3c2OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536022 EI Annotated Anodyne O=C1C[C@H](c2cccc3c2OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536023 EI Annotated Anodyne C[C@H]1COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536077 EI Annotated Anodyne C[C@@H]1COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536078 EI Annotated Anodyne C[C@@H]1COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536079 EI Annotated Anodyne C[C@H]1COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536080 EI Annotated Anodyne O=C1C[C@@]2(CCc3ccc4c(c32)CCO4)Oc2c1ccc1c2CCCC1 ZINC000587536225 EI Annotated Anodyne O=C1C[C@]2(CCc3ccc4c(c32)CCO4)Oc2c1ccc1c2CCCC1 ZINC000587536226 EI Annotated Anodyne CC(C)[C@@H]1C[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 ZINC000587536237 EI Annotated Anodyne CC(C)[C@@H]1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 ZINC000587536238 EI Annotated Anodyne CC(C)[C@@H]1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 ZINC000587536239 EI Annotated Anodyne CC(C)[C@@H]1C[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 ZINC000587536240 EI Annotated Anodyne O=C1C[C@]2(CCCC23CCOCC3)Oc2c1ccc1c2CCCC1 ZINC000587536537 EI Annotated Anodyne O=C1C[C@@]2(CCCC23CCOCC3)Oc2c1ccc1c2CCCC1 ZINC000587536538 EI Annotated Anodyne O=C1C[C@@H](CCc2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 ZINC000587536753 EI Annotated Anodyne O=C1C[C@H](CCc2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 ZINC000587536754 EI Annotated Anodyne O=C1C[C@]2(CCCC[C@H]2[C@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587536784 EI Annotated Anodyne O=C1C[C@]2(CCCC[C@@H]2[C@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587536785 EI Annotated Anodyne O=C1C[C@]2(CCCC[C@@H]2[C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587536786 EI Annotated Anodyne O=C1C[C@]2(CCCC[C@H]2[C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 ZINC000587536787 EI Annotated Anodyne C[C@H](CC1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536867 EI Annotated Anodyne C[C@@H](CC1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536868 EI Annotated Anodyne C[C@H](CC1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536869 EI Annotated Anodyne C[C@@H](CC1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536870 EI Annotated Anodyne O=C1C[C@]2(CCC[C@@H]([C@@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587536878 EI Annotated Anodyne O=C1C[C@]2(CCC[C@H]([C@@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587536879 EI Annotated Anodyne O=C1C[C@]2(CCC[C@@H]([C@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587536880 EI Annotated Anodyne O=C1C[C@]2(CCC[C@H]([C@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587536881 EI Annotated Anodyne CC1(C)C[C@]2(C)O[C@H]2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536894 EI Annotated Anodyne CC1(C)C[C@]2(C)O[C@H]2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536895 EI Annotated Anodyne CC1(C)C[C@]2(C)O[C@@H]2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536896 EI Annotated Anodyne CC1(C)C[C@]2(C)O[C@@H]2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536897 EI Annotated Anodyne O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536920 EI Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587536921 EI Annotated Anodyne C[C@]1(c2ccc3c(c2)CCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536926 EI Annotated Anodyne C[C@@]1(c2ccc3c(c2)CCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536927 EI Annotated Anodyne Cc1nc2sccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537069 EI Annotated Anodyne Cc1nc2sccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537071 EI Annotated Anodyne O=C1C[C@H](c2ccc3nsnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587537157 EI Annotated Anodyne O=C1C[C@@H](c2ccc3nsnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587537158 EI Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Sc1ccccc12 ZINC000587537595 EI Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Sc1ccccc12 ZINC000587537596 EI Annotated Anodyne O=C1C[C@]2(CC[C@H]3SCCS[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587537785 EI Annotated Anodyne O=C1C[C@]2(CC[C@H]3SCCS[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587537786 EI Annotated Anodyne O=C1C[C@]2(CC[C@@H]3SCCS[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587537787 EI Annotated Anodyne O=C1C[C@]2(CC[C@@H]3SCCS[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587537788 EI Annotated Anodyne O=C1C[C@@H](c2cccc3nsnc23)Oc2c1ccc1c2CCCC1 ZINC000587537823 EI Annotated Anodyne O=C1C[C@H](c2cccc3nsnc23)Oc2c1ccc1c2CCCC1 ZINC000587537824 EI Annotated Anodyne O=C1C[C@]2(CCCc3scnc32)Oc2c1ccc1c2CCCC1 ZINC000587538030 EI Annotated Anodyne O=C1C[C@@]2(CCCc3scnc32)Oc2c1ccc1c2CCCC1 ZINC000587538031 EI Annotated Anodyne O=C1C[C@@H](c2ccc3snnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587539030 EI Annotated Anodyne O=C1C[C@H](c2ccc3snnc3c2)Oc2c1ccc1c2CCCC1 ZINC000587539031 EI Annotated Anodyne CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541255 EI Annotated Reactive CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541256 EI Annotated Reactive CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541257 EI Annotated Reactive CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541258 EI Annotated Reactive CC(C)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541709 EI Annotated Reactive CC(C)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541710 EI Annotated Reactive CC(C)C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541711 EI Annotated Reactive CC(C)C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541712 EI Annotated Reactive CC(C)(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541722 EI Annotated Reactive CC(C)(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541724 EI Annotated Reactive CC(C)(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541726 EI Annotated Reactive CC(C)(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541727 EI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCCCl ZINC000587541728 EI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCCCl ZINC000587541729 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCCCl ZINC000587541730 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCCCl ZINC000587541731 EI Annotated Reactive CC[C@H](C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542281 EI Annotated Reactive CC[C@H](C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542283 EI Annotated Reactive CC[C@H](C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542285 EI Annotated Reactive CC[C@H](C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542287 EI Annotated Reactive C=CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543057 EI Annotated Reactive C=CCC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543062 EI Annotated Reactive C=CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543063 EI Annotated Reactive C=CCC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543064 EI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCC1 ZINC000587543372 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCC1 ZINC000587543373 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCC1 ZINC000587543376 EI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCC1 ZINC000587543379 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2Cl ZINC000587545783 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2Cl ZINC000587545788 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2Cl ZINC000587545791 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2Cl ZINC000587545793 EI Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]ccc1Cl ZINC000587546178 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]ccc1Cl ZINC000587546179 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]ccc1Cl ZINC000587546180 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]ccc1Cl ZINC000587546181 EI Annotated Anodyne CC1([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587546262 EI Annotated Reactive CC1([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587546263 EI Annotated Reactive CC1([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587546265 EI Annotated Reactive CC1([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587546267 EI Annotated Reactive CC[C@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546773 EI Annotated Reactive CC[C@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546775 EI Annotated Reactive CC[C@@]1(CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546777 EI Annotated Reactive CC[C@@]1(CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546778 EI Annotated Reactive C[C@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546954 EI Annotated Reactive C[C@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546956 EI Annotated Reactive C[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546959 EI Annotated Reactive C[C@@]1(CCCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546961 EI Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCC(F)(F)F ZINC000587548573 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCC(F)(F)F ZINC000587548606 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCC(F)(F)F ZINC000587548608 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCC(F)(F)F ZINC000587548612 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)co1 ZINC000587550388 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)co1 ZINC000587550395 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)co1 ZINC000587550396 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)co1 ZINC000587550397 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c[nH]1 ZINC000587550406 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c[nH]1 ZINC000587550407 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c[nH]1 ZINC000587550408 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c[nH]1 ZINC000587550409 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)o1 ZINC000587552289 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)o1 ZINC000587552290 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)o1 ZINC000587552291 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)o1 ZINC000587552292 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(F)(F)CC2 ZINC000587558324 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(F)(F)CC2 ZINC000587558329 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3cc4c(ccc5ccccc54)o3)nc2n1 ZINC000587560281 EI Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(-c2ccccc2)cc1 ZINC000587561019 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3cc4ccccc4c4ccccc34)nc2n1 ZINC000587561338 EI Annotated Bother CC(C)=Cc1nc2nc(O)nc(O)c2cc1[C@H](C)c1ccc(C)cc1 ZINC000587561342 EI Annotated Anodyne Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 ZINC000587561425 EI Annotated Anodyne C=C(C)[C@@H]1CCC2=Cc3nc4nc(O)nc(O)c4cc3[C@@H](C)[C@]2(C)C1 ZINC000587561455 EI Annotated Mild CC1=CCCC(C)(C)[C@@H]1/C=C(/C)c1ccc2c(O)nc(O)nc2n1 ZINC000587561586 EI Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C(/C)c1ccc2c(O)nc(O)nc2n1 ZINC000587561587 EI Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C(\C)c1ccc2c(O)nc(O)nc2n1 ZINC000587561588 EI Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C(\C)c1ccc2c(O)nc(O)nc2n1 ZINC000587561589 EI Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\c1ccc2c(O)nc(O)nc2n1 ZINC000587561926 EI Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C\c1ccc2c(O)nc(O)nc2n1 ZINC000587561928 EI Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 ZINC000587561930 EI Annotated Anodyne CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 ZINC000587561932 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4c(ccc5ccccc54)c3)nc2n1 ZINC000587562052 EI Annotated Bother Cc1cc2c(O)nc(O)nc2nc1-c1ccc(C2CCCCC2)cc1 ZINC000587562123 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4cc5ccccc5cc4c3)nc2n1 ZINC000587562163 EI Annotated Bother Oc1nc(O)c2ccc(-c3c4ccccc4cc4ccccc34)nc2n1 ZINC000587562166 EI Annotated Bother CCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 ZINC000587562213 EI Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 ZINC000587562214 EI Annotated Anodyne CC1(c2nc3nc(O)nc(O)c3cc2Cc2ccccc2)CCCCC1 ZINC000587562228 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4ccc5ccccc5c4c3)nc2n1 ZINC000587562414 EI Annotated Bother Oc1nc(O)c2ccc(-c3ccc(SC4CCCC4)cc3)nc2n1 ZINC000587562701 EI Annotated Anodyne C#CCOc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 ZINC000587563135 EI Annotated Mild CCc1cc2c(O)nc(O)nc2nc1[C@@H](CC)Sc1ccoc1C ZINC000587563328 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587563329 EI Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1[C@H](CC)Sc1ccoc1C ZINC000587563333 EI Annotated Anodyne COc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1Cl ZINC000587563455 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587563647 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(Br)cc2[nH]1 ZINC000587563650 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587563652 EI Annotated Anodyne Cc1cccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C ZINC000587563708 EI Annotated Bother COc1cc(C)ccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587563961 EI Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587564031 EI Annotated Bother Cc1cc(C)cc(OCc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587564053 EI Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Sc4ccccc4)cc3)nc2n1 ZINC000587564104 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cccc(Br)c2[nH]1 ZINC000587564149 EI Annotated Anodyne Cc1cccc(OCc2nc3ccc(Br)c(O)c3[nH]2)c1C ZINC000587564158 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587564168 EI Annotated Anodyne Cc1cccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1C ZINC000587564190 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587564219 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000587564242 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587564244 EI Annotated Anodyne Cc1cc(C)cc(OCc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587564275 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587564349 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3cc(C)cc(C)c3)nc2c1 ZINC000587564376 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587564416 EI Annotated Anodyne Cc1cccc(OCc2nc3c(C)c(Br)cnc3[nH]2)c1C ZINC000587564437 EI Annotated Anodyne C#CCOc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 ZINC000587564529 EI Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(COc3cccc(C)c3C)nc2c1 ZINC000587564546 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587564565 EI Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587564623 EI Annotated Anodyne Cc1cccc(OCc2nc3cc(Br)c(C)nc3[nH]2)c1C ZINC000587564692 EI Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587564758 EI Annotated Anodyne C#CCOc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 ZINC000587564817 EI Annotated Mild CCC(C)(C)c1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587564978 EI Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587564997 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587565165 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cncc(OC)c3[nH]2)cc1 ZINC000587565322 EI Annotated Anodyne Cc1ccc(OCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587565347 EI Annotated Mild Cc1ccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000587565370 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(OC)ncc3[nH]2)cc1 ZINC000587565476 EI Annotated Anodyne Cc1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587565481 EI Annotated Anodyne Fc1cc2[nH]c(CCOCc3ccccc3)nc2cc1C(F)(F)F ZINC000587565483 EI Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCOCc3ccccc3)nc2c1 ZINC000587565493 EI Annotated Anodyne Cc1c(Br)ccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587565496 EI Annotated Anodyne Cc1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587565518 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000587565524 EI Annotated Anodyne Brc1cccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587565533 EI Annotated Anodyne Cc1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587565543 EI Annotated Anodyne FC(F)(F)Oc1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587565589 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(OC)nc3[nH]2)cc1 ZINC000587565613 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587565627 EI Annotated Bother Cc1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587565628 EI Annotated Anodyne Brc1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587565641 EI Annotated Anodyne COc1cccc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 ZINC000587565676 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587565677 EI Annotated Bother CC(C)COc1cccc(OCc2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587565711 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccnc(OC)c3[nH]2)cc1 ZINC000587565737 EI Annotated Anodyne Fc1c(Br)ccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587565794 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(Cl)ncc3[nH]2)c1 ZINC000587565802 EI Annotated Anodyne COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1C ZINC000587565809 EI Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587565817 EI Annotated Bother CC(C)COc1cccc(OCc2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587565882 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 ZINC000587565890 EI Annotated Bother Cc1cc(Br)cc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587565915 EI Annotated Anodyne Fc1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 ZINC000587565945 EI Annotated Anodyne Cc1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587565951 EI Annotated Anodyne N#Cc1cc2nc(CCOCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587565958 EI Annotated Mild Cc1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 ZINC000587565976 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587565983 EI Annotated Anodyne Fc1cc(Br)cc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566002 EI Annotated Anodyne FC(F)(F)Oc1cccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566007 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cncc(Cl)c3[nH]2)c1 ZINC000587566025 EI Annotated Anodyne Cc1cc2[nH]c(COc3cccc(OCC(C)C)c3)nc2c(C)n1 ZINC000587566033 EI Annotated Anodyne COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1F ZINC000587566034 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587566036 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587566051 EI Annotated Anodyne Cc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br ZINC000587566054 EI Annotated Anodyne Fc1ccc2nc(CCOCc3ccccc3)[nH]c2c1Br ZINC000587566055 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587566080 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587566096 EI Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000587566104 EI Annotated Anodyne Fc1cc2[nH]c(CCOCc3ccccc3)nc2cc1Br ZINC000587566155 EI Annotated Anodyne O=Cc1ccc(OCCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587566341 EI Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587566408 EI Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587566576 EI Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000587566613 EI Annotated Anodyne N#CC[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566813 EI Annotated Mild N#CC[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566822 EI Annotated Mild N#CC[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566826 EI Annotated Mild N#CC[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566828 EI Annotated Mild CCCOc1cccc(Cc2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587567352 EI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2F ZINC000587567585 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2F ZINC000587567586 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2F ZINC000587567587 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2F ZINC000587567588 EI Annotated Anodyne CCCOc1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587567691 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1 ZINC000587567699 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1 ZINC000587567700 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1 ZINC000587567701 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1 ZINC000587567702 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1F ZINC000587568127 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sccc1F ZINC000587568128 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sccc1F ZINC000587568129 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1F ZINC000587568130 EI Annotated Anodyne CCCOc1cccc(Cc2nc3cc(Br)cnc3[nH]2)c1 ZINC000587568486 EI Annotated Anodyne CC(C)(C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569015 EI Annotated Mild CC(C)(C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569016 EI Annotated Mild CC(C)(C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569017 EI Annotated Mild CC(C)(C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569018 EI Annotated Mild CC(C)(CCC#N)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569063 EI Annotated Mild CC(C)(CCC#N)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569064 EI Annotated Mild CC(C)(CCC#N)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569065 EI Annotated Mild CC(C)(CCC#N)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569066 EI Annotated Mild CCCOc1cccc(Cc2nc3cncc(Br)c3[nH]2)c1 ZINC000587570336 EI Annotated Anodyne CC(C)C[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570609 EI Annotated Mild CC(C)C[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570610 EI Annotated Mild CC(C)C[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570611 EI Annotated Mild CC(C)C[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570612 EI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1 ZINC000587570925 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1 ZINC000587570926 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1 ZINC000587570927 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1 ZINC000587570928 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1F ZINC000587571085 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1F ZINC000587571086 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1F ZINC000587571087 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1F ZINC000587571088 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(F)CC2 ZINC000587571166 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(F)CC2 ZINC000587571169 EI Annotated Anodyne CC[C@H](C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571642 EI Annotated Mild CC[C@H](C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571643 EI Annotated Mild CC[C@H](C)[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571644 EI Annotated Mild CC[C@H](C)[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571645 EI Annotated Mild CC(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574512 EI Annotated Anodyne CC(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574513 EI Annotated Anodyne CC(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574515 EI Annotated Anodyne CC(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574517 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C ZINC000587574910 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C ZINC000587574914 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C ZINC000587574915 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C ZINC000587574916 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C1CC1 ZINC000587574925 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C1CC1 ZINC000587574926 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C1CC1 ZINC000587574927 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C1CC1 ZINC000587574928 EI Annotated Anodyne CCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576308 EI Annotated Anodyne CCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576309 EI Annotated Anodyne CCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576310 EI Annotated Anodyne CCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576311 EI Annotated Anodyne CC(C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576446 EI Annotated Anodyne CC(C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576447 EI Annotated Anodyne CC(C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576448 EI Annotated Anodyne CC(C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576449 EI Annotated Anodyne CCn1c(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577041 EI Annotated Anodyne CCn1c(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577049 EI Annotated Anodyne CCn1c(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577050 EI Annotated Anodyne CCn1c(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577051 EI Annotated Anodyne C=CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577341 EI Annotated Mild C=CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577348 EI Annotated Mild C=CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577351 EI Annotated Mild C=CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577353 EI Annotated Mild CC(C)(N=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577622 EI Annotated Clean CC(C)(N=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577626 EI Annotated Clean CC(C)(N=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577628 EI Annotated Clean CC(C)(N=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577630 EI Annotated Clean CCn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578021 EI Annotated Anodyne CCn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578022 EI Annotated Anodyne CCn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578023 EI Annotated Anodyne CCn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578024 EI Annotated Anodyne CCCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580453 EI Annotated Anodyne CCCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580454 EI Annotated Anodyne CCCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580456 EI Annotated Anodyne CCCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580458 EI Annotated Anodyne CNc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582328 EI Annotated Anodyne CNc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582329 EI Annotated Anodyne CNc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582330 EI Annotated Anodyne CNc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582331 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587584675 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587584678 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587584680 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587584682 EI Annotated Anodyne Cc1cc(C)nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585449 EI Annotated Anodyne Cc1cc(C)nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585451 EI Annotated Anodyne Cc1cc(C)nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585453 EI Annotated Anodyne Cc1cc(C)nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585454 EI Annotated Anodyne CCc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585777 EI Annotated Anodyne CCc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585778 EI Annotated Anodyne CCc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585779 EI Annotated Anodyne CCc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585780 EI Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586479 EI Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586481 EI Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586482 EI Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586483 EI Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587586849 EI Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587586850 EI Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587586851 EI Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587586852 EI Annotated Anodyne CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587352 EI Annotated Anodyne CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587353 EI Annotated Anodyne CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587354 EI Annotated Anodyne CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587355 EI Annotated Anodyne Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587587920 EI Annotated Anodyne Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587587930 EI Annotated Anodyne Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587587959 EI Annotated Anodyne Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587587960 EI Annotated Anodyne Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587588179 EI Annotated Anodyne Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587588184 EI Annotated Anodyne Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587588185 EI Annotated Anodyne Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587588187 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)[nH]1 ZINC000587588437 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)[nH]1 ZINC000587588440 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)[nH]1 ZINC000587588441 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)[nH]1 ZINC000587588443 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587588701 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587588702 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587588703 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 ZINC000587588704 EI Annotated Anodyne CC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588943 EI Annotated Anodyne CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588944 EI Annotated Anodyne CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588945 EI Annotated Anodyne CC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588946 EI Annotated Anodyne Cc1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587589044 EI Annotated Anodyne Cc1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587589046 EI Annotated Anodyne Cc1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587589047 EI Annotated Anodyne Cc1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587589048 EI Annotated Anodyne Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587589106 EI Annotated Anodyne Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587589107 EI Annotated Anodyne Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587589109 EI Annotated Anodyne Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587589110 EI Annotated Anodyne Cc1c[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590186 EI Annotated Anodyne Cc1c[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590187 EI Annotated Anodyne Cc1c[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590189 EI Annotated Anodyne Cc1c[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590191 EI Annotated Anodyne Cc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587591447 EI Annotated Anodyne Cc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587591448 EI Annotated Anodyne Cc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587591450 EI Annotated Anodyne Cc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587591452 EI Annotated Anodyne CC[C@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593789 EI Annotated Anodyne CC[C@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593791 EI Annotated Anodyne CC[C@@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593794 EI Annotated Anodyne CC[C@@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593796 EI Annotated Anodyne COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600268 EI Annotated Anodyne COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600269 EI Annotated Anodyne COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600270 EI Annotated Anodyne COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600271 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600349 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600350 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600351 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600352 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1 ZINC000587600353 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1 ZINC000587600354 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1 ZINC000587600355 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1 ZINC000587600356 EI Annotated Anodyne CC(C)C1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600575 EI Annotated Anodyne CC(C)C1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600576 EI Annotated Anodyne Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600616 EI Annotated Anodyne Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600618 EI Annotated Anodyne Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600619 EI Annotated Anodyne Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600620 EI Annotated Anodyne C[C@]1([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600662 EI Annotated Anodyne C[C@]1([C@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600664 EI Annotated Anodyne C[C@]1([C@@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600665 EI Annotated Anodyne C[C@]1([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600667 EI Annotated Anodyne C[C@]1([C@@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600669 EI Annotated Anodyne C[C@]1([C@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600671 EI Annotated Anodyne C[C@]1([C@@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600674 EI Annotated Anodyne C[C@]1([C@@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600677 EI Annotated Anodyne C[C@]1([C@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600679 EI Annotated Anodyne C[C@]1([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600682 EI Annotated Anodyne C[C@]1([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600684 EI Annotated Anodyne C[C@]1([C@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600686 EI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600813 EI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600815 EI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600817 EI Annotated Anodyne CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600819 EI Annotated Anodyne C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600967 EI Annotated Mild C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600968 EI Annotated Mild C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600970 EI Annotated Mild C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600971 EI Annotated Mild C=C=C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601078 EI Annotated Anodyne C=C=C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601079 EI Annotated Anodyne C=C=C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601080 EI Annotated Anodyne C=C=C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601081 EI Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601098 EI Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601099 EI Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601100 EI Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601101 EI Annotated Anodyne C[C@H]([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587601124 EI Annotated Anodyne C[C@H]([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587601125 EI Annotated Anodyne C[C@H]([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587601126 EI Annotated Anodyne C[C@H]([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587601127 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](C1CC1)C2 ZINC000587601248 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](C1CC1)C2 ZINC000587601250 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](C1CC1)C2 ZINC000587601252 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](C1CC1)C2 ZINC000587601254 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1[C@H]3CC[C@@H](C3)[C@@H]12 ZINC000587601285 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1[C@H]3CC[C@@H](C3)[C@H]12 ZINC000587601287 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1[C@H]3CC[C@@H](C3)[C@H]12 ZINC000587601288 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]12 ZINC000587601290 EI Annotated Anodyne C[C@]12C[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601338 EI Annotated Anodyne C[C@]12C[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601340 EI Annotated Anodyne C[C@]12C[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601343 EI Annotated Anodyne C[C@]12C[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601345 EI Annotated Anodyne CCCCCC#C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601458 EI Annotated Mild CCCCCC#C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601459 EI Annotated Mild CCCCCC#C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601460 EI Annotated Mild CCCCCC#C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601461 EI Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601538 EI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601539 EI Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601540 EI Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601541 EI Annotated Anodyne CC1(C)[C@@H]2[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601667 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]21 ZINC000587601668 EI Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]21 ZINC000587601669 EI Annotated Anodyne CC1(C)[C@@H]2[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601670 EI Annotated Anodyne CC(C)C[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602364 EI Annotated Anodyne CC(C)C[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602365 EI Annotated Anodyne CC(C)C[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602366 EI Annotated Anodyne CC(C)C[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602367 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000587602459 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@H]2CC[C@H]1C2 ZINC000587602460 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@H]2CC[C@H]1C2 ZINC000587602462 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000587602463 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc12 ZINC000587602507 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc12 ZINC000587602509 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc12 ZINC000587602511 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc12 ZINC000587602512 EI Annotated Anodyne C#Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603175 EI Annotated Mild C#Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603176 EI Annotated Mild C#Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603177 EI Annotated Mild C#Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603178 EI Annotated Mild C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603197 EI Annotated Anodyne C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603198 EI Annotated Anodyne C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603199 EI Annotated Anodyne C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603200 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H]1CC[C@@H](C1)C2 ZINC000587603264 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@H]1CC[C@@H](C1)C2 ZINC000587603266 EI Annotated Anodyne Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587603461 EI Annotated Anodyne Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587603463 EI Annotated Anodyne Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587603465 EI Annotated Anodyne Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587603466 EI Annotated Anodyne C#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587603472 EI Annotated Mild C#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587603473 EI Annotated Mild C#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587603474 EI Annotated Mild C#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587603475 EI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]2C1CCC1 ZINC000587603996 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]2C1CCC1 ZINC000587603997 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]2C1CCC1 ZINC000587603998 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]2C1CCC1 ZINC000587603999 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2C1CC1 ZINC000587604340 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2C1CC1 ZINC000587604341 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2C1CC1 ZINC000587604442 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2C1CC1 ZINC000587604443 EI Annotated Anodyne C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604547 EI Annotated Anodyne C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604548 EI Annotated Anodyne C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604549 EI Annotated Anodyne C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604550 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CCC1)C1CC1 ZINC000587604629 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C1CCC1)C1CC1 ZINC000587604630 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CCC1)C1CC1 ZINC000587604631 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C1CCC1)C1CC1 ZINC000587604632 EI Annotated Anodyne C=CCC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604841 EI Annotated Mild C=CCC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604842 EI Annotated Mild C=CCC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604843 EI Annotated Mild C=CCC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604844 EI Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CC1)CC2 ZINC000587604950 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CC1)CC2 ZINC000587604951 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CCCC1)C2 ZINC000587604974 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC1(CCCC1)C2 ZINC000587604975 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC21CCCC1 ZINC000587605206 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC21CCCC1 ZINC000587605207 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC21CCCC1 ZINC000587605210 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC21CCCC1 ZINC000587605212 EI Annotated Anodyne Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587607019 EI Annotated Anodyne Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587607020 EI Annotated Anodyne Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587607021 EI Annotated Anodyne Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587607022 EI Annotated Anodyne Cc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607309 EI Annotated Anodyne Cc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607310 EI Annotated Anodyne Cc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607311 EI Annotated Anodyne Cc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607312 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587607949 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587607950 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587607951 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587607952 EI Annotated Anodyne CC(C)(S)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610429 EI Annotated Mild CC(C)(S)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610435 EI Annotated Mild CC(C)(S)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610436 EI Annotated Mild CC(C)(S)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610438 EI Annotated Mild Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587610748 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587610750 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587610752 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587610753 EI Annotated Anodyne Cc1sccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611659 EI Annotated Anodyne Cc1sccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611662 EI Annotated Anodyne Cc1sccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611664 EI Annotated Anodyne Cc1sccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611665 EI Annotated Anodyne Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611745 EI Annotated Anodyne Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611747 EI Annotated Anodyne Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611749 EI Annotated Anodyne Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611751 EI Annotated Anodyne Cc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611808 EI Annotated Anodyne Cc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611810 EI Annotated Anodyne Cc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611812 EI Annotated Anodyne Cc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611815 EI Annotated Anodyne C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611861 EI Annotated Anodyne C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611863 EI Annotated Anodyne C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611865 EI Annotated Anodyne C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611867 EI Annotated Anodyne CC[C@H](S)[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612349 EI Annotated Mild CC[C@H](S)[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612350 EI Annotated Mild CC[C@H](S)[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612351 EI Annotated Mild CC[C@H](S)[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612352 EI Annotated Mild Cc1c(O)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612418 EI Annotated Anodyne Cc1c(O)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612419 EI Annotated Anodyne Cc1c(O)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612420 EI Annotated Anodyne Cc1c(O)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612421 EI Annotated Anodyne Cc1ccc(O)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612469 EI Annotated Anodyne Cc1ccc(O)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612471 EI Annotated Anodyne Cc1ccc(O)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612473 EI Annotated Anodyne Cc1ccc(O)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612474 EI Annotated Anodyne N#Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613316 EI Annotated Mild N#Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613320 EI Annotated Mild N#Cc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613592 EI Annotated Mild N#Cc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613593 EI Annotated Mild Cc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613917 EI Annotated Anodyne Cc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613918 EI Annotated Anodyne Cc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613919 EI Annotated Anodyne Cc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613920 EI Annotated Anodyne Cc1ccoc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614584 EI Annotated Anodyne Cc1ccoc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614585 EI Annotated Anodyne Cc1ccoc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614586 EI Annotated Anodyne Cc1ccoc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614587 EI Annotated Anodyne N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614646 EI Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614647 EI Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614648 EI Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614649 EI Annotated Mild CSC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 ZINC000587614678 EI Annotated Anodyne CSC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 ZINC000587614679 EI Annotated Anodyne CSC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 ZINC000587614680 EI Annotated Anodyne CSC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 ZINC000587614681 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614792 EI Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614793 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614794 EI Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614795 EI Annotated Anodyne Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614950 EI Annotated Anodyne Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614951 EI Annotated Anodyne Cc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614952 EI Annotated Anodyne Cc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614954 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1occc12 ZINC000587615228 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1occc12 ZINC000587615229 EI Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1occc12 ZINC000587615230 EI Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1occc12 ZINC000587615231 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 ZINC000587615256 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 ZINC000587615257 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 ZINC000587615258 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 ZINC000587615259 EI Annotated Anodyne CC(C)(C)[C@@]1(CS)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615548 EI Annotated Mild CC(C)(C)[C@]1(CS)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615549 EI Annotated Mild CC(C)(C)[C@]1(CS)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615550 EI Annotated Mild CC(C)(C)[C@@]1(CS)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615551 EI Annotated Mild C[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616802 EI Annotated Anodyne C[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616903 EI Annotated Anodyne C[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616904 EI Annotated Anodyne C[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616905 EI Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617017 EI Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617018 EI Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617019 EI Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617020 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C ZINC000587617669 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C ZINC000587617670 EI Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C ZINC000587617671 EI Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C ZINC000587617672 EI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587619784 EI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587619785 EI Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587619786 EI Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587619787 EI Annotated Anodyne ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl ZINC000587621276 EI Annotated Reactive ClCCc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621418 EI Annotated Reactive ClCCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCl ZINC000587621445 EI Annotated Reactive Cc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621510 EI Annotated Reactive FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1S ZINC000587621852 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCCl ZINC000587621876 EI Annotated Reactive CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCl ZINC000587621904 EI Annotated Reactive CC(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621965 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(F)(F)F ZINC000587622171 EI Annotated Anodyne Cc1c(CCCCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622178 EI Annotated Reactive Cc1c(-c2ccc(F)cn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622187 EI Annotated Anodyne Nc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622220 EI Annotated Anodyne Oc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622500 EI Annotated Anodyne CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cccn1 ZINC000587622601 EI Annotated Anodyne CCC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N ZINC000587622710 EI Annotated Mild N#CCc1c(-c2ccco2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622785 EI Annotated Mild CC/C(C)=C(\N)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622843 EI Annotated Anodyne CC/C(C)=C(/N)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622844 EI Annotated Anodyne CC(C)(C)c1c(CC#N)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622898 EI Annotated Mild Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)o1 ZINC000587623097 EI Annotated Mild CC(C)(C)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N ZINC000587623167 EI Annotated Mild Cc1ccoc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N ZINC000587623191 EI Annotated Mild Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623192 EI Annotated Anodyne Cc1cccnc1-c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623206 EI Annotated Anodyne N#Cc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623216 EI Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCC[C@H]1C ZINC000587623295 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCC[C@@H]1C ZINC000587623299 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccnc1 ZINC000587623300 EI Annotated Anodyne Cc1c(-c2cccc(N)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623512 EI Annotated Anodyne Cc1ccnc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587623560 EI Annotated Anodyne Cc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623635 EI Annotated Anodyne CCc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623657 EI Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N)cc1 ZINC000587623675 EI Annotated Anodyne N#Cc1c(C2CCCC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623706 EI Annotated Mild Cc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623719 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCCCC1 ZINC000587623720 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccncc1 ZINC000587623749 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCC[C@@H](C)C1 ZINC000587623783 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCC[C@H](C)C1 ZINC000587623784 EI Annotated Anodyne CCOC(=O)c1c(CBr)[nH]c2c(C)cc(Cl)cc12 ZINC000587623786 EI Annotated Reactive Cc1cccnc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C ZINC000587623800 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccn1 ZINC000587623940 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCCCC1 ZINC000587623953 EI Annotated Anodyne Cc1cccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587624059 EI Annotated Anodyne Cc1ccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)nc1 ZINC000587624060 EI Annotated Anodyne Cc1cc(Cl)cc2c(CCN(C)N=O)c(-c3cccnc3)[nH]c12 ZINC000587624065 EI Annotated Anodyne CCc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587624074 EI Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCCC1 ZINC000587624078 EI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccn(C)n3)[nH]c12 ZINC000587624264 EI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2c(C)cc(Cl)cc2c1CC ZINC000587624294 EI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2c(C)cc(Cl)cc2c1CC ZINC000587624297 EI Annotated Anodyne CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)cn1 ZINC000587624358 EI Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587624364 EI Annotated Anodyne Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccc(Cl)cn3)[nH]c12 ZINC000587624446 EI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3ccn(C)n3)c(C(F)(F)F)[nH]c12 ZINC000587624537 EI Annotated Anodyne Cc1cc(Cl)cc2c(CC(=O)O)c(-c3cc(F)ccc3O)[nH]c12 ZINC000587624581 EI Annotated Anodyne CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)(F)F ZINC000587624613 EI Annotated Anodyne Cc1cc(Cl)cc2c(S(C)(=O)=O)c(-c3ccccc3F)[nH]c12 ZINC000587624650 EI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cnn(C)c3)[nH]c12 ZINC000587624697 EI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3C)c(C(F)F)[nH]c12 ZINC000587624704 EI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3cnn(C)c3C)[nH]c12 ZINC000587624758 EI Annotated Anodyne Cc1cc(Cl)cc2c(S(C)(=O)=O)c(-c3cccc(F)c3)[nH]c12 ZINC000587624783 EI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)F ZINC000587624830 EI Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(F)cc1 ZINC000587624902 EI Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3)c(C(F)(F)F)[nH]c12 ZINC000587624987 EI Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccc1F ZINC000587625059 EI Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c(C)cc(Cl)cc12 ZINC000587625067 EI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N(C)C ZINC000587625271 EI Annotated Anodyne Cc1cc(Cl)cc2c(C#N)c(C3CN(C(=O)OC(C)(C)C)C3)[nH]c12 ZINC000587626252 EI Annotated Mild Cc1[nH]c2c(C)cc(Cl)cc2c1CN1C(=O)c2ccccc2C1=O ZINC000587626330 EI Annotated Anodyne COc1ccc(CNC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 ZINC000587626687 EI Annotated Anodyne Cc1cc(Cl)cc2c(N3C(=O)CCC3=O)c(-c3ccccc3)[nH]c12 ZINC000587626715 EI Annotated Anodyne CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587626763 EI Annotated Anodyne CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587627125 EI Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 ZINC000587627191 EI Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 ZINC000587627192 EI Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 ZINC000587627193 EI Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 ZINC000587627194 EI Annotated Anodyne COC(=O)Cc1c(-c2ccccc2N)[nH]c2c(C)cc(Cl)cc12 ZINC000587627196 EI Annotated Anodyne Cc1cc(Cl)cc2c(-n3cccnc3=O)c(-c3ccccc3)[nH]c12 ZINC000587627204 EI Annotated Anodyne CCOC(=O)Cc1c(-c2ccccn2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627244 EI Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1CCOc1ccccc1C(N)=O ZINC000587627307 EI Annotated Anodyne COc1ccccc1CNC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 ZINC000587627314 EI Annotated Anodyne CCOC(=O)Cc1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627343 EI Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627344 EI Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627345 EI Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cn1cncn1 ZINC000587627553 EI Annotated Anodyne Cc1c(-c2ncnn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627600 EI Annotated Anodyne CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cncn1 ZINC000587627711 EI Annotated Anodyne Fc1ccc2[nH]c(CCl)c(-n3nnc4ccccc43)c2c1Cl ZINC000587627867 EI Annotated Reactive Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)Br ZINC000587627901 EI Annotated Anodyne CCOC(=O)c1c(CBr)[nH]c2cc(Cl)c(F)cc12 ZINC000587627939 EI Annotated Reactive Fc1cc2c(-n3nnc4ccccc43)c(CCl)[nH]c2cc1Cl ZINC000587628012 EI Annotated Reactive O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628034 EI Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)Br ZINC000587628197 EI Annotated Anodyne CCOC(=O)c1c(CBr)[nH]c2ccc(F)c(Cl)c12 ZINC000587628265 EI Annotated Reactive Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cc(Br)cn1 ZINC000587628336 EI Annotated Anodyne Cc1c(Cn2cncn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628517 EI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cc(Br)cn1 ZINC000587628683 EI Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628765 EI Annotated Anodyne CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587628794 EI Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587628853 EI Annotated Anodyne O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2cc(Cl)c(F)cc12 ZINC000587628909 EI Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587628965 EI Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccc1F ZINC000587629059 EI Annotated Anodyne COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1F ZINC000587629198 EI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)F ZINC000587629231 EI Annotated Anodyne Cc1c(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cnn1C ZINC000587629241 EI Annotated Anodyne CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 ZINC000587629258 EI Annotated Anodyne Cc1c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cnn1C ZINC000587629269 EI Annotated Anodyne CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cn1 ZINC000587629274 EI Annotated Anodyne Cc1c(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cnn1C ZINC000587629278 EI Annotated Anodyne Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-n2cncn2)c(F)c1 ZINC000587629336 EI Annotated Anodyne O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2ccc(F)c(Cl)c12 ZINC000587629348 EI Annotated Anodyne CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cn1 ZINC000587629384 EI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)F ZINC000587629389 EI Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629394 EI Annotated Anodyne Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-n2cncn2)c(F)c1 ZINC000587629408 EI Annotated Anodyne CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629484 EI Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccc1F ZINC000587629492 EI Annotated Anodyne Cc1c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cnn1C ZINC000587629494 EI Annotated Anodyne Cn1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)n1 ZINC000587629545 EI Annotated Anodyne Cn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cn1 ZINC000587629591 EI Annotated Anodyne COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629611 EI Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629660 EI Annotated Anodyne COC(=O)c1c(Cc2ccccc2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629713 EI Annotated Anodyne COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1F ZINC000587629722 EI Annotated Anodyne CCn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 ZINC000587629738 EI Annotated Anodyne Cn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cn1 ZINC000587629774 EI Annotated Anodyne COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629860 EI Annotated Anodyne CCOC(=O)CCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629871 EI Annotated Anodyne CCOC(=O)CCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629920 EI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cc(C(F)(F)F)ccc1=O ZINC000587629924 EI Annotated Anodyne N#Cc1c(-c2cccc3c2OCCO3)[nH]c2ccc(F)c(Cl)c12 ZINC000587630020 EI Annotated Mild Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cc(C(F)(F)F)ccc1=O ZINC000587630126 EI Annotated Anodyne COC(=O)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)cc1 ZINC000587630143 EI Annotated Mild CN(CCc1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12)N=O ZINC000587630185 EI Annotated Anodyne Cn1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)n1 ZINC000587630219 EI Annotated Anodyne COC(=O)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)cc1 ZINC000587630311 EI Annotated Mild COC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587630539 EI Annotated Mild COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(F)cc1 ZINC000587630604 EI Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(F)cc1 ZINC000587630620 EI Annotated Anodyne N#Cc1c(-c2cccc3c2OCCO3)[nH]c2cc(Cl)c(F)cc12 ZINC000587630857 EI Annotated Mild Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587630930 EI Annotated Bother CN(CCc1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12)N=O ZINC000587631063 EI Annotated Anodyne CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631118 EI Annotated Bother CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631185 EI Annotated Bother COC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631265 EI Annotated Mild COc1ccccc1CNC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631379 EI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587631382 EI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NCCc1ccccc1 ZINC000587631441 EI Annotated Anodyne COc1ccc(CNC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587631451 EI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587631494 EI Annotated Bother CCOC(=O)Cc1c(-c2ccccn2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631670 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC(c2[nH]c3cc(Cl)c(F)cc3c2C#N)C1 ZINC000587631694 EI Annotated Mild O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631751 EI Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587631799 EI Annotated Bother CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631934 EI Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632006 EI Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632007 EI Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587632147 EI Annotated Anodyne Fc1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2c1Cl ZINC000587632148 EI Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CN1C(=O)c2ccccc2C1=O ZINC000587632317 EI Annotated Anodyne CCOC(=O)Cc1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587632325 EI Annotated Anodyne CC(C)(C)OC(=O)N1CC(c2[nH]c3ccc(F)c(Cl)c3c2C#N)C1 ZINC000587632361 EI Annotated Mild Fc1cc2c(CN3CCOCC3)c(-c3ccccc3)[nH]c2cc1Cl ZINC000587632391 EI Annotated Anodyne O=c1ncccn1-c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632399 EI Annotated Anodyne CCOC(=O)Cc1c(-c2ccccn2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632400 EI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 ZINC000587632497 EI Annotated Anodyne CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632526 EI Annotated Anodyne CCOC(=O)Cc1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632565 EI Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc(F)c12 ZINC000587632695 EI Annotated Anodyne COc1ccc(-c2[nH]c3cccc(F)c3c2CC(=O)O)c(Cl)c1 ZINC000587632712 EI Annotated Anodyne COc1cc(-c2[nH]c3cc(F)ccc3c2CC(=O)O)ccc1Cl ZINC000587632735 EI Annotated Anodyne Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587632908 EI Annotated Bother CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1Cl ZINC000587632926 EI Annotated Anodyne CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1 ZINC000587632930 EI Annotated Anodyne CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1Cl ZINC000587632933 EI Annotated Anodyne O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12 ZINC000587633017 EI Annotated Reactive O=C(O)Cc1c(-c2ccccc2Br)[nH]c2cccc(F)c12 ZINC000587633048 EI Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 ZINC000587633059 EI Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587633109 EI Annotated Bother CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cccc(Cl)c1 ZINC000587633112 EI Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587633122 EI Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587633124 EI Annotated Anodyne COc1cc(-c2[nH]c3cccc(F)c3c2CC(=O)O)ccc1Cl ZINC000587633210 EI Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 ZINC000587633230 EI Annotated Anodyne CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cccc(Cl)c1 ZINC000587633318 EI Annotated Anodyne COc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)F)cc1OC ZINC000587633448 EI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(F)ccc2c1C(=O)C(F)(F)Cl ZINC000587633463 EI Annotated Anodyne COc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)F)cc1OC ZINC000587633478 EI Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)c(C)n1 ZINC000587633527 EI Annotated Anodyne N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cc1 ZINC000587633591 EI Annotated Mild CCn1ncc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)c1C ZINC000587633623 EI Annotated Anodyne CCn1cc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)c(C)n1 ZINC000587633639 EI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cc(F)ccc12 ZINC000587633692 EI Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cccc(F)c2c1C(=O)C(F)(F)Cl ZINC000587633738 EI Annotated Anodyne CCn1ncc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)c1C ZINC000587633750 EI Annotated Anodyne COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(F)ccc12 ZINC000587633846 EI Annotated Anodyne COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc(F)ccc12 ZINC000587633874 EI Annotated Anodyne CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)c1C ZINC000587633942 EI Annotated Anodyne CCn1cc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)c(C)n1 ZINC000587633951 EI Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cccc(F)c12)C(F)F ZINC000587634036 EI Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cccc(F)c12 ZINC000587634053 EI Annotated Anodyne COC(=O)Cc1[nH]c2cc(F)ccc2c1-c1cc(F)c(F)cc1F ZINC000587634092 EI Annotated Anodyne CCOc1ccc(-c2[nH]c3cc(F)ccc3c2CC(=O)O)cc1F ZINC000587634151 EI Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)c(C)n1 ZINC000587634201 EI Annotated Anodyne CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)c1C ZINC000587634260 EI Annotated Anodyne N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cc1 ZINC000587634329 EI Annotated Mild COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cccc(F)c12 ZINC000587634350 EI Annotated Anodyne COC(=O)Cc1[nH]c2cccc(F)c2c1-c1cc(F)c(F)cc1F ZINC000587634443 EI Annotated Anodyne CCOc1ccc(-c2[nH]c3cccc(F)c3c2CC(=O)O)cc1F ZINC000587634539 EI Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 ZINC000587634630 EI Annotated Anodyne COc1ccc(-c2[nH]c3cc(F)ccc3c2CN(C)C)cc1OC ZINC000587634702 EI Annotated Anodyne COc1ccc(-c2[nH]c3cccc(F)c3c2CN(C)C)cc1OC ZINC000587634706 EI Annotated Anodyne COc1ccc(-c2[nH]c3cccc(F)c3c2CCC(=O)O)cc1F ZINC000587634745 EI Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 ZINC000587634871 EI Annotated Anodyne Cc1[nH]c2cccc(F)c2c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000587635096 EI Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000587635129 EI Annotated Anodyne COc1cc(-c2c(C)[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OC ZINC000587635477 EI Annotated Bother COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 ZINC000587635714 EI Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2cccc(F)c2c1-c1ccncc1 ZINC000587635809 EI Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 ZINC000587636062 EI Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2cc(F)ccc2c1-c1ccncc1 ZINC000587636065 EI Annotated Anodyne COc1cc(-c2c(C)[nH]c3cccc(F)c23)c([N+](=O)[O-])cc1OC ZINC000587636362 EI Annotated Bother Cc1c(-c2cc(Br)ccc2O)[nH]c2c(C(=O)O)cccc12 ZINC000587636643 EI Annotated Anodyne N#Cc1c(-c2cccc(Br)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587636676 EI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cccc(F)c3c2C#N)C1 ZINC000587636864 EI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cccc(F)c3c2C#N)C1 ZINC000587636865 EI Annotated Mild Cc1[nH]c2cccc(F)c2c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000587636945 EI Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000587636958 EI Annotated Anodyne O=C(O)c1cccc2c(Cc3ccccc3)c(CBr)[nH]c12 ZINC000587636979 EI Annotated Reactive N#Cc1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 ZINC000587636991 EI Annotated Mild O=C(O)c1cccc2c(CC3CCCC3)c(CBr)[nH]c12 ZINC000587636992 EI Annotated Reactive O=C(O)c1cccc2c(-c3ccccc3)c(CBr)[nH]c12 ZINC000587637009 EI Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cc(F)ccc3c2C#N)C1 ZINC000587637028 EI Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cc(F)ccc3c2C#N)C1 ZINC000587637029 EI Annotated Mild N#Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637031 EI Annotated Mild N#Cc1c(-c2ccccc2OC(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637081 EI Annotated Mild N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637144 EI Annotated Mild O=C(O)c1cccc2c(C(=O)C(F)F)c(-c3ccc(F)cc3)[nH]c12 ZINC000587637182 EI Annotated Anodyne Cc1c(-c2ccc(Br)cc2O)[nH]c2c(C(=O)O)cccc12 ZINC000587637222 EI Annotated Anodyne Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C#N)c(C(F)(F)F)o1 ZINC000587637302 EI Annotated Mild Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)s1 ZINC000587637330 EI Annotated Anodyne O=C(O)c1cccc2c(-c3ccncn3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587637331 EI Annotated Clean N#Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637388 EI Annotated Mild Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587637427 EI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1-n1nc(C(F)(F)F)cc1C1CC1 ZINC000587637472 EI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1cccc(Cl)c1C ZINC000587637562 EI Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637563 EI Annotated Anodyne CCN(C(=O)c1c(C)[nH]c2c(C(=O)O)cccc12)c1ccccc1C ZINC000587637644 EI Annotated Anodyne COc1ccccc1C(=O)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637645 EI Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637657 EI Annotated Anodyne N#Cc1c(-c2cccc(OC(F)F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637683 EI Annotated Mild Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637710 EI Annotated Anodyne N#Cc1c(-c2ccccc2OC(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637734 EI Annotated Mild O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637745 EI Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)cc1 ZINC000587637864 EI Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccs3)[nH]c12 ZINC000587637913 EI Annotated Anodyne C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638048 EI Annotated Anodyne C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638049 EI Annotated Anodyne CC(=O)Oc1ccc(-c2c(CCl)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587638109 EI Annotated Reactive O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3)[nH]c12 ZINC000587638111 EI Annotated Anodyne O=CCCCc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(F)cc1 ZINC000587638182 EI Annotated Mild Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000587638321 EI Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000587638323 EI Annotated Anodyne O=C(O)c1cccc2c(CCCl)c(-c3cc(F)ccc3O)[nH]c12 ZINC000587638330 EI Annotated Reactive CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2c(C(=O)O)cccc12 ZINC000587638361 EI Annotated Anodyne N#Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638382 EI Annotated Mild Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 ZINC000587638389 EI Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)s1 ZINC000587638392 EI Annotated Anodyne O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638436 EI Annotated Anodyne CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638466 EI Annotated Anodyne Cc1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c(Cl)c1 ZINC000587638577 EI Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)o1 ZINC000587638579 EI Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)o1 ZINC000587638746 EI Annotated Anodyne O=C(O)c1cccc2c(CCl)c(-c3ccc4c(c3)OCCO4)[nH]c12 ZINC000587638790 EI Annotated Reactive O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638800 EI Annotated Reactive CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2c(C(=O)O)cccc12 ZINC000587638995 EI Annotated Anodyne Cc1cc(C)c(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c(C)c1 ZINC000587639020 EI Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587639143 EI Annotated Anodyne Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12 ZINC000587639182 EI Annotated Bother C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 ZINC000587639272 EI Annotated Reactive C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 ZINC000587639273 EI Annotated Reactive O=C(O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2)c[nH]1 ZINC000587639492 EI Annotated Clean CC[C@@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)OC)c2c1 ZINC000587640606 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)OC)c2c1 ZINC000587640607 EI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc([C@@H](C)CC)cc2c1C ZINC000587641083 EI Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc([C@H](C)CC)cc2c1C ZINC000587641084 EI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc([C@H](C)CC)cc2c1C ZINC000587641085 EI Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc([C@@H](C)CC)cc2c1C ZINC000587641086 EI Annotated Anodyne CCOC(=O)c1c(-c2cncn2C)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587641383 EI Annotated Anodyne CCOC(=O)c1c(-c2cncn2C)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587641386 EI Annotated Anodyne CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587641547 EI Annotated Anodyne CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587641548 EI Annotated Anodyne CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587641557 EI Annotated Anodyne CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587641558 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@@H](N)C(=O)O)c2c1 ZINC000587642076 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@@H](N)C(=O)O)c2c1 ZINC000587642087 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@H](N)C(=O)O)c2c1 ZINC000587642089 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@H](N)C(=O)O)c2c1 ZINC000587642091 EI Annotated Anodyne CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642299 EI Annotated Anodyne CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587642301 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(-n3cc(C(=O)O)nn3)c2c1 ZINC000587642727 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(-n3cc(C(=O)O)nn3)c2c1 ZINC000587642729 EI Annotated Anodyne CCOC(=O)c1c(CN2CCCC2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643282 EI Annotated Anodyne CCOC(=O)c1c(CN2CCCC2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643284 EI Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643326 EI Annotated Mild N#Cc1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643460 EI Annotated Mild O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(O)c12 ZINC000587643849 EI Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(=O)OC)n3)c(C#N)c2c1 ZINC000587643901 EI Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(=O)OC)n3)c(C#N)c2c1 ZINC000587643907 EI Annotated Mild N#Cc1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643947 EI Annotated Mild CCOC(=O)c1c(-c2nccn2C)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587644018 EI Annotated Anodyne CCOC(=O)c1c(-c2nccn2C)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587644019 EI Annotated Anodyne N#Cc1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644127 EI Annotated Mild CC(=O)Oc1ccc(-c2c(CCl)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587644141 EI Annotated Reactive CC[C@@H](C)c1ccc2[nH]c(C)c(-n3c(=O)oc(=O)c4ccccc43)c2c1 ZINC000587644170 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(-n3c(=O)oc(=O)c4ccccc43)c2c1 ZINC000587644171 EI Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1N1CCCC1 ZINC000587644188 EI Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1N1CCCC1 ZINC000587644189 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccnc3)c2c1 ZINC000587644196 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccnc3)c2c1 ZINC000587644197 EI Annotated Anodyne N#Cc1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644209 EI Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cc(C)on3)c(C(=O)C(=O)OC)c2c1 ZINC000587644235 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)on3)c(C(=O)C(=O)OC)c2c1 ZINC000587644236 EI Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644243 EI Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccncc3)c2c1 ZINC000587644259 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccncc3)c2c1 ZINC000587644260 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(=O)OC)c2c1 ZINC000587644561 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(=O)OC)c2c1 ZINC000587644562 EI Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccnc(OC)c3)c(CC(=O)O)c2c1 ZINC000587644568 EI Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccnc(OC)c3)c(CC(=O)O)c2c1 ZINC000587644569 EI Annotated Anodyne O=[N+]([O-])c1ccc2c(CCl)c(-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000587644627 EI Annotated Reactive COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644636 EI Annotated Bother O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644760 EI Annotated Bother O=C(c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587644761 EI Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c12 ZINC000587644763 EI Annotated Reactive CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644811 EI Annotated Bother Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)o1 ZINC000587644832 EI Annotated Bother Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)o1 ZINC000587644837 EI Annotated Bother O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644838 EI Annotated Bother Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)o1 ZINC000587644849 EI Annotated Bother CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644877 EI Annotated Bother Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)o1 ZINC000587645032 EI Annotated Bother CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645163 EI Annotated Bother O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645272 EI Annotated Bother O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645273 EI Annotated Bother O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645383 EI Annotated Bother O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645473 EI Annotated Bother O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645511 EI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Cl)cc1 ZINC000587645515 EI Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3cc(F)ccc3O)c(CCCl)c12 ZINC000587645626 EI Annotated Reactive O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncn3)c12 ZINC000587645661 EI Annotated Bother N#Cc1c(-c2cccc(OC(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645743 EI Annotated Mild N#Cc1c(-c2ccccc2OC(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645758 EI Annotated Mild Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1c([N+](=O)[O-])ccc(F)c1F ZINC000587645761 EI Annotated Bother C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645797 EI Annotated Bother C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645798 EI Annotated Bother O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645815 EI Annotated Bother COc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)F ZINC000587645824 EI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1c([N+](=O)[O-])ccc(F)c1F ZINC000587645873 EI Annotated Bother C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645876 EI Annotated Bother C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645877 EI Annotated Bother O=CCCCc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(F)cc1 ZINC000587646004 EI Annotated Mild Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cc1 ZINC000587646168 EI Annotated Bother O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646224 EI Annotated Bother O=[N+]([O-])c1ccc2c(CCCl)c(-c3cc(F)ccc3O)[nH]c2c1 ZINC000587646227 EI Annotated Reactive COc1ccccc1C(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646252 EI Annotated Bother O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646330 EI Annotated Bother COc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)F ZINC000587646384 EI Annotated Bother N#Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646401 EI Annotated Mild N#Cc1c(-c2cccc(OC(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646444 EI Annotated Mild N#Cc1c(-c2ccccc2OC(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646458 EI Annotated Mild CCN(C(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1C ZINC000587646491 EI Annotated Bother CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646535 EI Annotated Bother CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646536 EI Annotated Bother N#Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646583 EI Annotated Mild O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646667 EI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NC1CCCCCCC1 ZINC000587647057 EI Annotated Bother CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647142 EI Annotated Bother CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647143 EI Annotated Bother Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000587647582 EI Annotated Bother CCO[C@H](C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1 ZINC000587647583 EI Annotated Bother CCO[C@@H](C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1 ZINC000587647584 EI Annotated Bother Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000587647660 EI Annotated Bother Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647775 EI Annotated Bother CCO[C@H](C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1 ZINC000587647980 EI Annotated Bother CCO[C@@H](C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1 ZINC000587647981 EI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000587648345 EI Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000587648346 EI Annotated Bother Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587648527 EI Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(Cc3ccccc3)c2c1 ZINC000587648889 EI Annotated Anodyne Cc1ccc(-c2noc(-c3c(C)[nH]c4cc([N+](=O)[O-])ccc34)n2)cc1 ZINC000587649046 EI Annotated Bother Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649054 EI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000587649405 EI Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000587649406 EI Annotated Bother N#Cc1c(-c2ccc(N3CCCC3)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649688 EI Annotated Mild Cc1ccc(-c2noc(-c3c(C)[nH]c4cccc([N+](=O)[O-])c34)n2)cc1 ZINC000587649701 EI Annotated Bother N#Cc1c(-c2ccc(N3CCCC3)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587649739 EI Annotated Mild O=c1c2cc(Cl)ccc2cnn1-c1c(Cl)cc(F)cc1Cl ZINC000587651180 EI Annotated Anodyne Cc1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Cl)c1 ZINC000587651500 EI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)ccc1F ZINC000587652028 EI Annotated Anodyne Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)c2cccc(C)c2n1 ZINC000587652742 EI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2cccs2)cs1 ZINC000587653098 EI Annotated Anodyne CCc1cccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 ZINC000587653201 EI Annotated Anodyne Cc1cc(C)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1 ZINC000587653338 EI Annotated Anodyne CCc1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 ZINC000587653361 EI Annotated Anodyne Cc1cc(C)c2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 ZINC000587653362 EI Annotated Anodyne Cc1cc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2cc1C ZINC000587653414 EI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2cc(Cl)ccc2s1 ZINC000587653816 EI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Cl)cc2s1 ZINC000587653847 EI Annotated Anodyne O=C(c1cc2sccc2s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654214 EI Annotated Anodyne Cc1ccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1C ZINC000587654228 EI Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2c(Cl)cccc2s1 ZINC000587654301 EI Annotated Anodyne CCCc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)sc1C ZINC000587654546 EI Annotated Anodyne Cc1ccc(C)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 ZINC000587654684 EI Annotated Anodyne CC(C)(C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655718 EI Annotated Anodyne Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587655848 EI Annotated Anodyne Cc1cccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656205 EI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1 ZINC000587656301 EI Annotated Anodyne CC[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656409 EI Annotated Anodyne CC[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656410 EI Annotated Anodyne CCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656453 EI Annotated Anodyne Cc1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587656675 EI Annotated Anodyne CC(C)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657095 EI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccccc1 ZINC000587657429 EI Annotated Anodyne Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 ZINC000587657462 EI Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C1CCCC1 ZINC000587657472 EI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1 ZINC000587657827 EI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)c1 ZINC000587657859 EI Annotated Anodyne CC(C)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658099 EI Annotated Anodyne CC(C)(C)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658639 EI Annotated Anodyne COc1ccccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659893 EI Annotated Anodyne O=C(C1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659928 EI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccs1 ZINC000587661281 EI Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccsc1 ZINC000587661689 EI Annotated Anodyne C=C(Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669274 EI Annotated Mild C=C(Br)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669284 EI Annotated Mild C=C(Br)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669286 EI Annotated Mild C=C(Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669287 EI Annotated Mild C=C(Br)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671310 EI Annotated Mild C=C(Br)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671311 EI Annotated Mild C=C(Br)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671312 EI Annotated Mild C=C(Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671313 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCC2)N1 ZINC000587682264 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCC2)N1 ZINC000587682265 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCC2)N1 ZINC000587682266 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCC2)N1 ZINC000587682267 EI Annotated Reactive CC[C@]1(CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683962 EI Annotated Reactive CC[C@@]1(CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683964 EI Annotated Reactive CC[C@@]1(CCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683966 EI Annotated Reactive CC[C@]1(CCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683967 EI Annotated Reactive CC[C@]1(CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683985 EI Annotated Reactive CC[C@@]1(CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683986 EI Annotated Reactive CC[C@@]1(CCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683987 EI Annotated Reactive CC[C@]1(CCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683988 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCl)N1 ZINC000587684388 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCl)N1 ZINC000587684390 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCl)N1 ZINC000587684393 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCl)N1 ZINC000587684396 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CCl)N1 ZINC000587684748 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CCl)N1 ZINC000587684749 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CCl)N1 ZINC000587684750 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CCl)N1 ZINC000587684751 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCC2)N1 ZINC000587685920 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCC2)N1 ZINC000587685922 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCC2)N1 ZINC000587685923 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCC2)N1 ZINC000587685925 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CCl)N1 ZINC000587685951 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CCl)N1 ZINC000587685955 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CCl)N1 ZINC000587685957 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CCl)N1 ZINC000587685960 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCl)N1 ZINC000587686602 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCl)N1 ZINC000587686605 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCl)N1 ZINC000587686607 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCl)N1 ZINC000587686608 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2(C)CC2)N1 ZINC000587686706 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2(C)CC2)N1 ZINC000587686708 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2(C)CC2)N1 ZINC000587686710 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2(C)CC2)N1 ZINC000587686711 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(Cl)Cl)N1 ZINC000587687363 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(Cl)Cl)N1 ZINC000587687364 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(Cl)Cl)N1 ZINC000587687365 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(Cl)Cl)N1 ZINC000587687366 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(Cl)Cl)N1 ZINC000587687744 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(Cl)Cl)N1 ZINC000587687745 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(Cl)Cl)N1 ZINC000587687746 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(Cl)Cl)N1 ZINC000587687747 EI Annotated Reactive CC(C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688285 EI Annotated Reactive CC(C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688286 EI Annotated Reactive CC(C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688287 EI Annotated Reactive CC(C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688288 EI Annotated Reactive CCC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688378 EI Annotated Reactive CCC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688379 EI Annotated Reactive CCC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688380 EI Annotated Reactive CCC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688382 EI Annotated Reactive CCC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688697 EI Annotated Reactive CCC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688698 EI Annotated Reactive CCC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688699 EI Annotated Reactive CCC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688700 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2(C)CC2)N1 ZINC000587689110 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2(C)CC2)N1 ZINC000587689111 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2(C)CC2)N1 ZINC000587689112 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2(C)CC2)N1 ZINC000587689113 EI Annotated Reactive CC(C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689182 EI Annotated Reactive CC(C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689183 EI Annotated Reactive CC(C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689184 EI Annotated Reactive CC(C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689185 EI Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2Cl)N1 ZINC000587697152 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2Cl)N1 ZINC000587697158 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2Cl)N1 ZINC000587697160 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2Cl)N1 ZINC000587697162 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2Cl)N1 ZINC000587701799 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2Cl)N1 ZINC000587701803 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2Cl)N1 ZINC000587701806 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2Cl)N1 ZINC000587701808 EI Annotated Anodyne CC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702637 EI Annotated Anodyne CC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702641 EI Annotated Anodyne CC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702642 EI Annotated Anodyne CC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702644 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2Cl)N1 ZINC000587703124 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2Cl)N1 ZINC000587703139 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2Cl)N1 ZINC000587703142 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2Cl)N1 ZINC000587703143 EI Annotated Reactive CC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704717 EI Annotated Anodyne CC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704718 EI Annotated Anodyne CC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704719 EI Annotated Anodyne CC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704720 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2Cl)N1 ZINC000587704950 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2Cl)N1 ZINC000587704953 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2Cl)N1 ZINC000587704957 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2Cl)N1 ZINC000587704959 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)Cl)N1 ZINC000587706643 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)Cl)N1 ZINC000587706644 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)Cl)N1 ZINC000587706645 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)Cl)N1 ZINC000587706646 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2Cl)N1 ZINC000587706880 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2Cl)N1 ZINC000587706881 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2Cl)N1 ZINC000587706882 EI Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2Cl)N1 ZINC000587706883 EI Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)o2)N1 ZINC000587706896 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)o2)N1 ZINC000587706897 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)o2)N1 ZINC000587706898 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)o2)N1 ZINC000587706899 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2Cl)N1 ZINC000587707264 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2Cl)N1 ZINC000587707267 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2Cl)N1 ZINC000587707269 EI Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2Cl)N1 ZINC000587707271 EI Annotated Reactive C[C@@H]([C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(F)(F)F ZINC000587708244 EI Annotated Anodyne C[C@@H]([C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(F)(F)F ZINC000587708245 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C)C(F)(F)F)N1 ZINC000587708246 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C)C(F)(F)F)N1 ZINC000587708247 EI Annotated Anodyne C[C@@H]([C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(F)(F)F ZINC000587708258 EI Annotated Anodyne C[C@@H]([C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(F)(F)F ZINC000587708259 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C)C(F)(F)F)N1 ZINC000587708260 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C)C(F)(F)F)N1 ZINC000587708262 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)o2)N1 ZINC000587708510 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)o2)N1 ZINC000587708511 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)o2)N1 ZINC000587708512 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)o2)N1 ZINC000587708513 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)Cl)N1 ZINC000587708524 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)Cl)N1 ZINC000587708525 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)Cl)N1 ZINC000587708526 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)Cl)N1 ZINC000587708527 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(F)(F)F)N1 ZINC000587708594 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC(F)(F)F)N1 ZINC000587708595 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(F)(F)F)N1 ZINC000587708596 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(F)(F)F)N1 ZINC000587708597 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(F)(F)F)N1 ZINC000587709194 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(F)(F)F)N1 ZINC000587709195 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(F)(F)F)N1 ZINC000587709196 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(F)(F)F)N1 ZINC000587709197 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(F)(F)F)N1 ZINC000587709288 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(F)(F)F)N1 ZINC000587709289 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(F)(F)F)N1 ZINC000587709290 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(F)(F)F)N1 ZINC000587709291 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(F)(F)F)N1 ZINC000587709550 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(F)(F)F)N1 ZINC000587709551 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(F)(F)F)N1 ZINC000587709553 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(F)(F)F)N1 ZINC000587709555 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(F)F)CC2)N1 ZINC000587717762 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(F)F)CC2)N1 ZINC000587717798 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(F)F)CC2)N1 ZINC000587717799 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(F)F)CC2)N1 ZINC000587717801 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(F)F)CC2)N1 ZINC000587719786 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(F)F)CC2)N1 ZINC000587719789 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(F)F)CC2)N1 ZINC000587719793 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(F)F)CC2)N1 ZINC000587719797 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2F)N1 ZINC000587725040 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2F)N1 ZINC000587725041 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2F)N1 ZINC000587725042 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2F)N1 ZINC000587725043 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2F)N1 ZINC000587726534 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2F)N1 ZINC000587726535 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2F)N1 ZINC000587726536 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2F)N1 ZINC000587726537 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2F)N1 ZINC000587727970 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2F)N1 ZINC000587727973 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2F)N1 ZINC000587727975 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2F)N1 ZINC000587727977 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CCC2)N1 ZINC000587728277 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CCC2)N1 ZINC000587728332 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C2CCC2)N1 ZINC000587728337 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C2CCC2)N1 ZINC000587728341 EI Annotated Mild CC[C@H](C)[C@@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728716 EI Annotated Mild CC[C@H](C)[C@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728717 EI Annotated Mild CC[C@H](C)[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728718 EI Annotated Mild CC[C@H](C)[C@@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728719 EI Annotated Mild CC(C)C[C@@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729407 EI Annotated Mild CC(C)C[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729409 EI Annotated Mild CC(C)C[C@@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729411 EI Annotated Mild CC(C)C[C@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729413 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CCC#N)N1 ZINC000587729414 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CCC#N)N1 ZINC000587729419 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CCC#N)N1 ZINC000587729422 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CCC#N)N1 ZINC000587729424 EI Annotated Mild CCC[C@@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730012 EI Annotated Mild CCC[C@@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730013 EI Annotated Mild CCC[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730014 EI Annotated Mild CCC[C@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730015 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)c2)N1 ZINC000587730016 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)c2)N1 ZINC000587730021 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)c2)N1 ZINC000587730023 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)c2)N1 ZINC000587730026 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cc2)N1 ZINC000587730580 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cc2)N1 ZINC000587730581 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cc2)N1 ZINC000587730582 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cc2)N1 ZINC000587730583 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2F)N1 ZINC000587730727 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2F)N1 ZINC000587730728 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2F)N1 ZINC000587730729 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2F)N1 ZINC000587730730 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2)N1 ZINC000587730801 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2)N1 ZINC000587730802 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2)N1 ZINC000587730803 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2)N1 ZINC000587730804 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2)N1 ZINC000587731088 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2)N1 ZINC000587731090 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2)N1 ZINC000587731499 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2)N1 ZINC000587731502 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2)N1 ZINC000587731911 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2)N1 ZINC000587731913 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2)N1 ZINC000587731914 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2)N1 ZINC000587731915 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(C)(C)C#N)N1 ZINC000587732356 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(C)(C)C#N)N1 ZINC000587732361 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC(C)(C)C#N)N1 ZINC000587732363 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(C)(C)C#N)N1 ZINC000587732365 EI Annotated Mild CC[C@H](C)[C@@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732418 EI Annotated Mild CC[C@H](C)[C@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732419 EI Annotated Mild CC[C@H](C)[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732422 EI Annotated Mild CC[C@H](C)[C@@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732425 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)c2)N1 ZINC000587732436 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)c2)N1 ZINC000587732438 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)c2)N1 ZINC000587732441 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)c2)N1 ZINC000587732442 EI Annotated Mild CCC[C@@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732674 EI Annotated Mild CCC[C@@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732676 EI Annotated Mild CCC[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732678 EI Annotated Mild CCC[C@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732680 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)CCC#N)N1 ZINC000587732739 EI Annotated Mild C[C@@H](CCC#N)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732741 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)CCC#N)N1 ZINC000587732743 EI Annotated Mild C[C@@H](CCC#N)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732745 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CCC#N)N1 ZINC000587733109 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CCC#N)N1 ZINC000587733111 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CCC#N)N1 ZINC000587733113 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CCC#N)N1 ZINC000587733114 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(C)(C)C)N1 ZINC000587733127 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(C)(C)C)N1 ZINC000587733128 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(C)(C)C)N1 ZINC000587733129 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(C)(C)C)N1 ZINC000587733130 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(C)(C)C)N1 ZINC000587733536 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(C)(C)C)N1 ZINC000587733537 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(C)(C)C)N1 ZINC000587733538 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(C)(C)C)N1 ZINC000587733539 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(C)(C)C#N)N1 ZINC000587733586 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(C)(C)C#N)N1 ZINC000587733587 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(C)(C)C#N)N1 ZINC000587733588 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(C)(C)C#N)N1 ZINC000587733589 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C#N)N1 ZINC000587733681 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C#N)N1 ZINC000587733684 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C#N)N1 ZINC000587733686 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C#N)N1 ZINC000587733690 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cc2)N1 ZINC000587734636 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cc2)N1 ZINC000587734637 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cc2)N1 ZINC000587734638 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cc2)N1 ZINC000587734639 EI Annotated Mild CC(C)C[C@@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735016 EI Annotated Mild CC(C)C[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735017 EI Annotated Mild CC(C)C[C@@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735018 EI Annotated Mild CC(C)C[C@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735019 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)CCC#N)N1 ZINC000587735729 EI Annotated Mild C[C@@H](CCC#N)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735730 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)CCC#N)N1 ZINC000587735731 EI Annotated Mild C[C@@H](CCC#N)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735732 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC#N)N1 ZINC000587736011 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC#N)N1 ZINC000587736012 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC#N)N1 ZINC000587736013 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC#N)N1 ZINC000587736014 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C#N)N1 ZINC000587736243 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C#N)N1 ZINC000587736244 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C#N)N1 ZINC000587736245 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C#N)N1 ZINC000587736246 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC#N)N1 ZINC000587736288 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC#N)N1 ZINC000587736289 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC#N)N1 ZINC000587736290 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC#N)N1 ZINC000587736291 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CCC2)N1 ZINC000587736292 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CCC2)N1 ZINC000587736293 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C2CCC2)N1 ZINC000587736294 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C2CCC2)N1 ZINC000587736296 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(F)CC2)N1 ZINC000587736611 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(F)CC2)N1 ZINC000587736659 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2)N1 ZINC000587736986 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2)N1 ZINC000587736987 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2)N1 ZINC000587736988 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2)N1 ZINC000587736989 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2F)N1 ZINC000587737252 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2F)N1 ZINC000587737253 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2F)N1 ZINC000587737254 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2F)N1 ZINC000587737255 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2F)N1 ZINC000587738473 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2F)N1 ZINC000587738475 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2F)N1 ZINC000587738476 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2F)N1 ZINC000587738478 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C#N)N1 ZINC000587738772 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C#N)N1 ZINC000587738773 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C#N)N1 ZINC000587738774 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C#N)N1 ZINC000587738775 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C#N)N1 ZINC000587738960 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C#N)N1 ZINC000587738961 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C#N)N1 ZINC000587738962 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C#N)N1 ZINC000587738963 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(F)CC2)N1 ZINC000587739086 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(F)CC2)N1 ZINC000587739087 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](C#N)C2)N1 ZINC000587739152 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](C#N)C2)N1 ZINC000587739153 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](C#N)C2)N1 ZINC000587739154 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](C#N)C2)N1 ZINC000587739155 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)CC2)N1 ZINC000587741185 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)CC2)N1 ZINC000587741186 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](C#N)C2)N1 ZINC000587741260 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](C#N)C2)N1 ZINC000587741262 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](C#N)C2)N1 ZINC000587741264 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](C#N)C2)N1 ZINC000587741265 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)CC2)N1 ZINC000587742251 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)CC2)N1 ZINC000587742252 EI Annotated Mild CNc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743370 EI Annotated Anodyne CNc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743372 EI Annotated Anodyne CNc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743375 EI Annotated Anodyne CNc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743379 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587743605 EI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587743606 EI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587743607 EI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587743608 EI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCN=[N+]=[N-])N1 ZINC000587744012 EI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCN=[N+]=[N-])N1 ZINC000587744024 EI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCN=[N+]=[N-])N1 ZINC000587744025 EI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCN=[N+]=[N-])N1 ZINC000587744026 EI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587744591 EI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587744592 EI Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587744593 EI Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)N=[N+]=[N-])N1 ZINC000587744594 EI Annotated Clean CNc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746010 EI Annotated Anodyne CNc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746011 EI Annotated Anodyne CNc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746012 EI Annotated Anodyne CNc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746013 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCN=[N+]=[N-])N1 ZINC000587746098 EI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCN=[N+]=[N-])N1 ZINC000587746100 EI Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCN=[N+]=[N-])N1 ZINC000587746101 EI Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCN=[N+]=[N-])N1 ZINC000587746103 EI Annotated Clean C=CCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752058 EI Annotated Mild C=CCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752065 EI Annotated Mild C=CCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752066 EI Annotated Mild C=CCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752067 EI Annotated Mild C=CCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752139 EI Annotated Mild C=CCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752140 EI Annotated Mild C=CCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752141 EI Annotated Mild C=CCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752142 EI Annotated Mild CCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752722 EI Annotated Anodyne CCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752723 EI Annotated Anodyne CCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752724 EI Annotated Anodyne CCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587752725 EI Annotated Anodyne CCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756649 EI Annotated Anodyne CCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756650 EI Annotated Anodyne CCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756652 EI Annotated Anodyne CCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756653 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C2CC2)N1 ZINC000587758489 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C2CC2)N1 ZINC000587758492 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C2CC2)N1 ZINC000587758493 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C2CC2)N1 ZINC000587758495 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C2CC2)N1 ZINC000587758982 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C2CC2)N1 ZINC000587758984 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C2CC2)N1 ZINC000587758989 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C2CC2)N1 ZINC000587758993 EI Annotated Anodyne CCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759235 EI Annotated Anodyne CCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759237 EI Annotated Anodyne CCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759238 EI Annotated Anodyne CCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759240 EI Annotated Anodyne CCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587759257 EI Annotated Anodyne CCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587759259 EI Annotated Anodyne CCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587759261 EI Annotated Anodyne CCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587759262 EI Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587766815 EI Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587766819 EI Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587766821 EI Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587766824 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768024 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768027 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768030 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768033 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768965 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768966 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768967 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587768968 EI Annotated Anodyne CCc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587768969 EI Annotated Anodyne CCc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587768970 EI Annotated Anodyne CCc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587768971 EI Annotated Anodyne CCc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587768972 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769360 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769362 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769363 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769365 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771446 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771447 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771448 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 ZINC000587771450 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771567 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771568 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771569 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587771570 EI Annotated Anodyne Cc1cncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771798 EI Annotated Anodyne Cc1cncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771800 EI Annotated Anodyne Cc1cncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771802 EI Annotated Anodyne Cc1cncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587771804 EI Annotated Anodyne Cc1cc(C)nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587771973 EI Annotated Anodyne Cc1cc(C)nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587771975 EI Annotated Anodyne Cc1cc(C)nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587771976 EI Annotated Anodyne Cc1cc(C)nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587771977 EI Annotated Anodyne CC[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772048 EI Annotated Anodyne CC[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772049 EI Annotated Anodyne CC[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772050 EI Annotated Anodyne CC[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772052 EI Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587772368 EI Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587772370 EI Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587772373 EI Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587772376 EI Annotated Anodyne CC[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772536 EI Annotated Anodyne CC[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772537 EI Annotated Anodyne CC[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772540 EI Annotated Anodyne CC[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772542 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772600 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772602 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772604 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772607 EI Annotated Anodyne Cc1cnccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772657 EI Annotated Anodyne Cc1cnccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772658 EI Annotated Anodyne Cc1cnccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772659 EI Annotated Anodyne Cc1cnccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772660 EI Annotated Anodyne Cc1cncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772661 EI Annotated Anodyne Cc1cncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772662 EI Annotated Anodyne Cc1cncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772663 EI Annotated Anodyne Cc1cncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587772664 EI Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587772946 EI Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587772948 EI Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587772950 EI Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587772951 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587772979 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587772980 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587772981 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587772982 EI Annotated Anodyne CC[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773080 EI Annotated Anodyne CC[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773081 EI Annotated Anodyne CC[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773082 EI Annotated Anodyne CC[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773083 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccn2)N1 ZINC000587773290 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccn2)N1 ZINC000587773291 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccn2)N1 ZINC000587773293 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccn2)N1 ZINC000587773294 EI Annotated Anodyne Cc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773295 EI Annotated Anodyne Cc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773296 EI Annotated Anodyne Cc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773298 EI Annotated Anodyne Cc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587773299 EI Annotated Anodyne Cc1ccnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773311 EI Annotated Anodyne Cc1ccnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773313 EI Annotated Anodyne Cc1ccnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773314 EI Annotated Anodyne Cc1ccnc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587773316 EI Annotated Anodyne Cc1cncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587773484 EI Annotated Anodyne Cc1cncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587773485 EI Annotated Anodyne Cc1cncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587773486 EI Annotated Anodyne Cc1cncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587773487 EI Annotated Anodyne Cc1cc(C)nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773622 EI Annotated Anodyne Cc1cc(C)nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773625 EI Annotated Anodyne Cc1cc(C)nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773627 EI Annotated Anodyne Cc1cc(C)nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773629 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587773960 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587773961 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587773962 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 ZINC000587773963 EI Annotated Anodyne Cc1ccnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773972 EI Annotated Anodyne Cc1ccnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773973 EI Annotated Anodyne Cc1ccnc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773974 EI Annotated Anodyne Cc1ccnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587773975 EI Annotated Anodyne Cc1cccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774515 EI Annotated Anodyne Cc1cccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774516 EI Annotated Anodyne Cc1cccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774517 EI Annotated Anodyne Cc1cccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774518 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587774570 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587774571 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587774573 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587774574 EI Annotated Anodyne Cc1ccncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774677 EI Annotated Anodyne Cc1ccncc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774678 EI Annotated Anodyne Cc1ccncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774679 EI Annotated Anodyne Cc1ccncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774680 EI Annotated Anodyne Cc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774733 EI Annotated Anodyne Cc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774734 EI Annotated Anodyne Cc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774735 EI Annotated Anodyne Cc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774736 EI Annotated Anodyne CCc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774741 EI Annotated Anodyne CCc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774742 EI Annotated Anodyne CCc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774743 EI Annotated Anodyne CCc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774744 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccn2)N1 ZINC000587774745 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccn2)N1 ZINC000587774746 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccn2)N1 ZINC000587774747 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccn2)N1 ZINC000587774748 EI Annotated Anodyne Cc1cccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774777 EI Annotated Anodyne Cc1cccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774778 EI Annotated Anodyne Cc1cccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774779 EI Annotated Anodyne Cc1cccnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774780 EI Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775077 EI Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775078 EI Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775079 EI Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775080 EI Annotated Anodyne CC[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775174 EI Annotated Anodyne CC[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775176 EI Annotated Anodyne CC[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775177 EI Annotated Anodyne CC[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775179 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775369 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775370 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775371 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775372 EI Annotated Anodyne Cc1cncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587775846 EI Annotated Anodyne Cc1cncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587775849 EI Annotated Anodyne Cc1cncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587775851 EI Annotated Anodyne Cc1cncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587775854 EI Annotated Anodyne Cc1ccncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775930 EI Annotated Anodyne Cc1ccncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775931 EI Annotated Anodyne Cc1ccncc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775932 EI Annotated Anodyne Cc1ccncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775933 EI Annotated Anodyne Cc1cnccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775958 EI Annotated Anodyne Cc1cnccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775959 EI Annotated Anodyne Cc1cnccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775960 EI Annotated Anodyne Cc1cnccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775961 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccncc2)N1 ZINC000587775985 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccncc2)N1 ZINC000587775986 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccncc2)N1 ZINC000587775987 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccncc2)N1 ZINC000587775988 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccncc2)N1 ZINC000587776128 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccncc2)N1 ZINC000587776130 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccncc2)N1 ZINC000587776131 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccncc2)N1 ZINC000587776133 EI Annotated Anodyne CCOC(=O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587777500 EI Annotated Reactive CCOc1ccc(OCC)c(-c2nc3cc(OC)c(OC)cc3[nH]2)c1 ZINC000587777570 EI Annotated Anodyne CCOc1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1C ZINC000587777601 EI Annotated Anodyne CCCOc1cccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587777628 EI Annotated Anodyne CCOc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1C ZINC000587777693 EI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(OC)c(C)cc3[nH]2)c1 ZINC000587778035 EI Annotated Anodyne CCCOc1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587778087 EI Annotated Anodyne CCOc1cc(-c2nc3cc(Br)c(C)nc3[nH]2)ccc1C ZINC000587778104 EI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587778480 EI Annotated Anodyne CCOc1cc(-c2nc3cncc(Br)c3[nH]2)ccc1C ZINC000587778523 EI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000587778707 EI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587778765 EI Annotated Bother CCOc1ccc(OCC)c(-c2nc3cc(OC)cc(OC)c3[nH]2)c1 ZINC000587778778 EI Annotated Anodyne CCOCCOCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587778799 EI Annotated Anodyne CCCOc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587778985 EI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000587779210 EI Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 ZINC000587779217 EI Annotated Bother CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 ZINC000587779281 EI Annotated Bother CCOc1ccccc1OCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587779547 EI Annotated Anodyne CCOc1ccccc1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587779639 EI Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc[nH]c(=N)c3[nH]2)c1 ZINC000587779670 EI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587779696 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccncc2)N1 ZINC000587779735 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccncc2)N1 ZINC000587779736 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccncc2)N1 ZINC000587779737 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccncc2)N1 ZINC000587779738 EI Annotated Anodyne CCOc1ccccc1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587779864 EI Annotated Anodyne CCOc1ccccc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587779873 EI Annotated Anodyne CCOc1ccccc1OCc1nc2cccc(Br)c2[nH]1 ZINC000587779925 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccncc2)N1 ZINC000587779945 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccncc2)N1 ZINC000587779946 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccncc2)N1 ZINC000587779947 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccncc2)N1 ZINC000587779948 EI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587779957 EI Annotated Mild CCOc1ccccc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587780415 EI Annotated Anodyne CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587780426 EI Annotated Bother Clc1cc2nc(COC/C=C\c3ccccc3)[nH]c2nc1Cl ZINC000587780440 EI Annotated Anodyne Clc1cc2nc(COC/C=C/c3ccccc3)[nH]c2nc1Cl ZINC000587780444 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Cl ZINC000587780544 EI Annotated Bother O=[N+]([O-])c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Cl ZINC000587780546 EI Annotated Bother FC(F)(F)c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cn1 ZINC000587780554 EI Annotated Anodyne FC(F)(F)c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cn1 ZINC000587780555 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(COC/C=C\c3ccccc3)nc12 ZINC000587780573 EI Annotated Anodyne Clc1cnc(Cl)c2[nH]c(COC/C=C/c3ccccc3)nc12 ZINC000587780574 EI Annotated Anodyne Fc1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1-n1cccn1 ZINC000587780645 EI Annotated Anodyne Fc1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1-n1cccn1 ZINC000587780647 EI Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587780679 EI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(Br)cc2[nH]1 ZINC000587780736 EI Annotated Anodyne Clc1cc2nc(COC/C=C\c3ccccc3)[nH]c2c(Cl)n1 ZINC000587780835 EI Annotated Anodyne Clc1cc2nc(COC/C=C/c3ccccc3)[nH]c2c(Cl)n1 ZINC000587780836 EI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587780851 EI Annotated Anodyne Clc1cnc2[nH]c(COC/C=C\c3ccccc3)nc2c1Cl ZINC000587780864 EI Annotated Anodyne Clc1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1Cl ZINC000587780865 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c(COC/C=C\c3ccccc3)nc2c1 ZINC000587780900 EI Annotated Anodyne FC(F)(F)c1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1 ZINC000587780901 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(COC/C=C\c3ccccc3)nc2c1F ZINC000587780975 EI Annotated Anodyne Fc1c(F)c(F)c2[nH]c(COC/C=C/c3ccccc3)nc2c1F ZINC000587780983 EI Annotated Anodyne Cc1cnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 ZINC000587781871 EI Annotated Anodyne CCOc1ccccc1OCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587781877 EI Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)c1 ZINC000587781883 EI Annotated Anodyne FC1(F)Oc2cc3nc(COC/C=C\c4ccccc4)[nH]c3cc2O1 ZINC000587781942 EI Annotated Anodyne FC1(F)Oc2cc3nc(COC/C=C/c4ccccc4)[nH]c3cc2O1 ZINC000587781943 EI Annotated Anodyne Cc1cncc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587782235 EI Annotated Anodyne Cc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2n1 ZINC000587782239 EI Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 ZINC000587782244 EI Annotated Anodyne Cc1nccc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 ZINC000587782547 EI Annotated Anodyne O=C(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)OCc1ccccc1 ZINC000587782894 EI Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)cnc2[nH]1 ZINC000587782975 EI Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587783044 EI Annotated Anodyne C(=C/c1nc2cncnc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587783749 EI Annotated Anodyne C(=C\c1nc2cncnc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587783750 EI Annotated Anodyne Nc1ccnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587783866 EI Annotated Anodyne Nc1ccnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587783870 EI Annotated Anodyne N=c1[nH]ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783911 EI Annotated Anodyne N=c1[nH]ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783912 EI Annotated Anodyne N=c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c[nH]1 ZINC000587783920 EI Annotated Anodyne N=c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c[nH]1 ZINC000587783922 EI Annotated Anodyne Oc1nccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784101 EI Annotated Anodyne Oc1nccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784102 EI Annotated Anodyne C(=C/c1nc2ncc[nH]c-2n1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784173 EI Annotated Anodyne C(=C\c1nc2ncc[nH]c-2n1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784274 EI Annotated Anodyne FC(F)(F)Oc1cc2nc(CCOCC3CC3)[nH]c2cc1Cl ZINC000587784605 EI Annotated Anodyne C(=C/c1nc2cnncc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784615 EI Annotated Anodyne C(=C\c1nc2cnncc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784617 EI Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587785153 EI Annotated Anodyne COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)cc(O)c1O ZINC000587785203 EI Annotated Clean COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)cc(O)c1O ZINC000587785205 EI Annotated Clean COc1cc(/C=C\c2nc3cc(Cl)cc(C)c3[nH]2)cc(O)c1O ZINC000587785291 EI Annotated Clean COc1cc(/C=C/c2nc3cc(Cl)cc(C)c3[nH]2)cc(O)c1O ZINC000587785292 EI Annotated Clean COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(OC)c1O ZINC000587785378 EI Annotated Anodyne COc1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2n1 ZINC000587785448 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587785666 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cnc3ccccc3c2[nH]1 ZINC000587785813 EI Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 ZINC000587785920 EI Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 ZINC000587785926 EI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 ZINC000587785927 EI Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 ZINC000587785928 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587785951 EI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(OC)c1C ZINC000587786034 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2)cc1O ZINC000587786089 EI Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(Cl)c(C)cc3[nH]2)c1OC ZINC000587786140 EI Annotated Anodyne COc1cccc(C)c1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587786145 EI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c1C ZINC000587786207 EI Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(OC)c1C ZINC000587786223 EI Annotated Bother COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc(OC)c1O ZINC000587786257 EI Annotated Anodyne COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1C ZINC000587786410 EI Annotated Anodyne COc1cc(/C=C\c2nc3cc(C)c(Cl)cc3[nH]2)cc(O)c1O ZINC000587786493 EI Annotated Clean COc1cc(/C=C/c2nc3cc(C)c(Cl)cc3[nH]2)cc(O)c1O ZINC000587786495 EI Annotated Clean COc1cc(/C=C\c2nc3ccc(Cl)c(C)c3[nH]2)cc(O)c1O ZINC000587786530 EI Annotated Clean COc1cc(/C=C/c2nc3ccc(Cl)c(C)c3[nH]2)cc(O)c1O ZINC000587786531 EI Annotated Clean COc1ccc(-c2cccc(-c3nc4cc(F)cnc4[nH]3)c2)cc1O ZINC000587786633 EI Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C(C)(C)C)cccc3[nH]2)c1OC ZINC000587786641 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(C#N)c4[nH]3)c2)cc1O ZINC000587786642 EI Annotated Mild COc1ccc(C)cc1C(=O)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000587786648 EI Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C)c(Cl)ccc3[nH]2)c1OC ZINC000587786686 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2)cc1O ZINC000587786700 EI Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c1OC ZINC000587786724 EI Annotated Anodyne COc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(O)c1O ZINC000587786746 EI Annotated Clean COc1cc(/C=C\c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(O)c1O ZINC000587786747 EI Annotated Clean COc1cccc(C)c1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587786791 EI Annotated Anodyne COc1cc(/C=C/c2nc3cccc(C(C)(C)C)c3[nH]2)cc(O)c1O ZINC000587786795 EI Annotated Clean COc1cc(/C=C\c2nc3cccc(C(C)(C)C)c3[nH]2)cc(O)c1O ZINC000587786796 EI Annotated Clean COc1ccc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c(OC)c1C ZINC000587786821 EI Annotated Mild COc1cc(/C=C/c2nc3ccc4nc(C)ccc4c3[nH]2)cc(O)c1O ZINC000587786862 EI Annotated Clean COc1cc(/C=C\c2nc3ccc4nc(C)ccc4c3[nH]2)cc(O)c1O ZINC000587786875 EI Annotated Clean COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 ZINC000587787100 EI Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 ZINC000587787102 EI Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 ZINC000587787104 EI Annotated Anodyne C=CCc1cccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c12 ZINC000587787204 EI Annotated Mild COc1ccc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)cc1O ZINC000587787205 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc1O ZINC000587787246 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587787255 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc3ncccc3c2[nH]1 ZINC000587787259 EI Annotated Anodyne COc1cc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2cn1 ZINC000587787300 EI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587787322 EI Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 ZINC000587787325 EI Annotated Anodyne COc1cccc(C)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587787481 EI Annotated Anodyne COc1cccc(C)c1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587787511 EI Annotated Mild COc1ccc(C=O)c(-c2nc3cc4ccccc4cc3[nH]2)c1OC ZINC000587787640 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(SC)cc2[nH]1 ZINC000587787693 EI Annotated Anodyne COc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c1C ZINC000587787771 EI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587787779 EI Annotated Anodyne COc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1Cl ZINC000587787817 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)cc1O ZINC000587787827 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cccc(Cl)c2[nH]1 ZINC000587787869 EI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587787882 EI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587787948 EI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587788139 EI Annotated Anodyne COc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c1C ZINC000587788156 EI Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587788184 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587788197 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587788210 EI Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587788214 EI Annotated Anodyne COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c1C ZINC000587788303 EI Annotated Anodyne COc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c1C ZINC000587788314 EI Annotated Anodyne COc1ccc(-c2nc3cccc(Br)c3[nH]2)c(OC)c1C ZINC000587788323 EI Annotated Anodyne COc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(OC)c1C ZINC000587788329 EI Annotated Anodyne COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c1C ZINC000587788344 EI Annotated Anodyne COc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c1C ZINC000587788361 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 ZINC000587789000 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 ZINC000587789004 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 ZINC000587789006 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 ZINC000587789007 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 ZINC000587789335 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 ZINC000587789336 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 ZINC000587789337 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 ZINC000587789345 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789428 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789430 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789431 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789432 EI Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(C)c(Cl)cc3[nH]2)c1OC ZINC000587790002 EI Annotated Anodyne Cc1c[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587790079 EI Annotated Anodyne Cc1c[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587790080 EI Annotated Anodyne Cc1c[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587790081 EI Annotated Anodyne Cc1c[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587790082 EI Annotated Anodyne Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790198 EI Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790200 EI Annotated Anodyne Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790202 EI Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587790204 EI Annotated Anodyne COCC[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790271 EI Annotated Anodyne COCC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790272 EI Annotated Anodyne COCC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790273 EI Annotated Anodyne COCC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790274 EI Annotated Anodyne Cc1c[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790895 EI Annotated Anodyne Cc1c[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790896 EI Annotated Anodyne Cc1c[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790897 EI Annotated Anodyne Cc1c[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587790898 EI Annotated Anodyne CC(C)OCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791601 EI Annotated Anodyne CC(C)OCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791615 EI Annotated Anodyne CC(C)OCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791618 EI Annotated Anodyne CC(C)OCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791620 EI Annotated Anodyne CC(C)OCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792126 EI Annotated Anodyne CC(C)OCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792127 EI Annotated Anodyne CC(C)OCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792128 EI Annotated Anodyne CC(C)OCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792129 EI Annotated Anodyne COC(C)(C)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793340 EI Annotated Anodyne COC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793341 EI Annotated Anodyne COC(C)(C)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793342 EI Annotated Anodyne COC(C)(C)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793343 EI Annotated Anodyne COC[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793897 EI Annotated Anodyne COC[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793898 EI Annotated Anodyne COC[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793899 EI Annotated Anodyne COC[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793900 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794168 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794171 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794173 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794176 EI Annotated Anodyne CCO/C=C(\C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794262 EI Annotated Anodyne CCO/C=C(\C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794263 EI Annotated Anodyne CCO/C=C(\C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794264 EI Annotated Anodyne CCO/C=C(\C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794265 EI Annotated Anodyne Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794924 EI Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794925 EI Annotated Anodyne Cc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794926 EI Annotated Anodyne Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587794927 EI Annotated Anodyne CCO/C=C(\C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795707 EI Annotated Anodyne CCO/C=C(\C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795709 EI Annotated Anodyne CCO/C=C(\C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795711 EI Annotated Anodyne CCO/C=C(\C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795713 EI Annotated Anodyne COC[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796736 EI Annotated Anodyne COC[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796737 EI Annotated Anodyne COC[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796738 EI Annotated Anodyne COC[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796739 EI Annotated Anodyne CCCC[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797421 EI Annotated Anodyne CCCC[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797422 EI Annotated Anodyne CCCC[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797423 EI Annotated Anodyne CCCC[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797425 EI Annotated Anodyne COCC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797583 EI Annotated Anodyne COCC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797585 EI Annotated Anodyne COCC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797587 EI Annotated Anodyne COCC[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797589 EI Annotated Anodyne COC(C)(C)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797836 EI Annotated Anodyne COC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797837 EI Annotated Anodyne COC(C)(C)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797838 EI Annotated Anodyne COC(C)(C)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797839 EI Annotated Anodyne CCCC[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798224 EI Annotated Anodyne CCCC[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798225 EI Annotated Anodyne CCCC[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798226 EI Annotated Anodyne CCCC[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798227 EI Annotated Anodyne CCOC1=C[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799141 EI Annotated Anodyne CCOC1=C[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799144 EI Annotated Anodyne CCOC1=C[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799146 EI Annotated Anodyne CCOC1=C[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799147 EI Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(Cl)c(C)c3[nH]2)c1OC ZINC000587799369 EI Annotated Anodyne CCOC1=C[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799664 EI Annotated Anodyne CCOC1=C[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799666 EI Annotated Anodyne CCOC1=C[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799668 EI Annotated Anodyne CCOC1=C[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799670 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc[nH]c32)N1 ZINC000587801083 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc[nH]c32)N1 ZINC000587801084 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc[nH]c32)N1 ZINC000587801085 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc[nH]c32)N1 ZINC000587801086 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]ccc32)N1 ZINC000587802355 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]ccc32)N1 ZINC000587802356 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]ccc32)N1 ZINC000587802357 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]ccc32)N1 ZINC000587802358 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]ccc32)N1 ZINC000587802363 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]ccc32)N1 ZINC000587802364 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]ccc32)N1 ZINC000587802365 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]ccc32)N1 ZINC000587802366 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc[nH]c32)N1 ZINC000587802559 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc[nH]c32)N1 ZINC000587802560 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc[nH]c32)N1 ZINC000587802561 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc[nH]c32)N1 ZINC000587802562 EI Annotated Anodyne CC[C@@]1(/C(C)=C/OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808537 EI Annotated Anodyne CC[C@]1(/C(C)=C/OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808539 EI Annotated Anodyne CC[C@@]1(/C(C)=C/OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808541 EI Annotated Anodyne CC[C@]1(/C(C)=C/OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808543 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(=O)C(C)(C)C)N1 ZINC000587811446 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(=O)C(C)(C)C)N1 ZINC000587811447 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(=O)C(C)(C)C)N1 ZINC000587811448 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(=O)C(C)(C)C)N1 ZINC000587811449 EI Annotated Anodyne COC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCCC1 ZINC000587812396 EI Annotated Anodyne COC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCC1 ZINC000587812399 EI Annotated Anodyne COC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCCC1 ZINC000587812401 EI Annotated Anodyne COC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCC1 ZINC000587812403 EI Annotated Anodyne CC[C@@]1(/C(C)=C/OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812478 EI Annotated Anodyne CC[C@]1(/C(C)=C/OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812480 EI Annotated Anodyne CC[C@@]1(/C(C)=C/OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812481 EI Annotated Anodyne CC[C@]1(/C(C)=C/OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812482 EI Annotated Anodyne COC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCCC1 ZINC000587812884 EI Annotated Anodyne COC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCC1 ZINC000587812885 EI Annotated Anodyne COC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCCC1 ZINC000587812886 EI Annotated Anodyne COC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCC1 ZINC000587812887 EI Annotated Anodyne CCC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813000 EI Annotated Anodyne CCC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813003 EI Annotated Anodyne CCC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813005 EI Annotated Anodyne CCC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813008 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(=O)C(C)(C)C)N1 ZINC000587813047 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(=O)C(C)(C)C)N1 ZINC000587813050 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC(=O)C(C)(C)C)N1 ZINC000587813052 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(=O)C(C)(C)C)N1 ZINC000587813053 EI Annotated Anodyne CC(C)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813358 EI Annotated Anodyne CC(C)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813360 EI Annotated Anodyne CC(C)[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813362 EI Annotated Anodyne CC(C)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813364 EI Annotated Anodyne CCCCC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813574 EI Annotated Anodyne CCCCC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813575 EI Annotated Anodyne CCCCC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813690 EI Annotated Anodyne CCCCC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813691 EI Annotated Anodyne CCCC[C@@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813786 EI Annotated Anodyne CCCC[C@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813788 EI Annotated Anodyne CCCC[C@@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813790 EI Annotated Anodyne CCCC[C@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813791 EI Annotated Anodyne CCCCC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813863 EI Annotated Anodyne CCCCC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813864 EI Annotated Anodyne CCCCC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813865 EI Annotated Anodyne CCCCC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813866 EI Annotated Anodyne CCC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813868 EI Annotated Anodyne CCC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813870 EI Annotated Anodyne CCC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813876 EI Annotated Anodyne CCC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813877 EI Annotated Anodyne CCC(=O)C[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813954 EI Annotated Anodyne CCC(=O)C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813955 EI Annotated Anodyne CCC(=O)C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813956 EI Annotated Anodyne CCC(=O)C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813957 EI Annotated Anodyne CCC(=O)C[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814537 EI Annotated Anodyne CCC(=O)C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814539 EI Annotated Anodyne CCC(=O)C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814540 EI Annotated Anodyne CCC(=O)C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814541 EI Annotated Anodyne CC(C)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814774 EI Annotated Anodyne CC(C)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814776 EI Annotated Anodyne CC(C)[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814778 EI Annotated Anodyne CC(C)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814780 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccccc2)N1 ZINC000587815042 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccccc2)N1 ZINC000587815043 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccccc2)N1 ZINC000587815044 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccccc2)N1 ZINC000587815045 EI Annotated Anodyne CCCC[C@@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815128 EI Annotated Anodyne CCCC[C@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815129 EI Annotated Anodyne CCCC[C@@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815130 EI Annotated Anodyne CCCC[C@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815131 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccccc2)N1 ZINC000587815194 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccccc2)N1 ZINC000587815195 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccccc2)N1 ZINC000587815196 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccccc2)N1 ZINC000587815197 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2)N1 ZINC000587815723 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2)N1 ZINC000587815724 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2)N1 ZINC000587815725 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2)N1 ZINC000587815726 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CC2(C)C)N1 ZINC000587815767 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC2(C)C)N1 ZINC000587815768 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CC2(C)C)N1 ZINC000587815769 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC2(C)C)N1 ZINC000587815770 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2)N1 ZINC000587815883 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2)N1 ZINC000587815884 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2)N1 ZINC000587815885 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2)N1 ZINC000587815886 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC2(C)C)N1 ZINC000587816361 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC2(C)C)N1 ZINC000587816362 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CC2(C)C)N1 ZINC000587816363 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CC2(C)C)N1 ZINC000587816364 EI Annotated Anodyne C#C[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817029 EI Annotated Mild C#C[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817030 EI Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817031 EI Annotated Mild C#C[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817032 EI Annotated Mild C#Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587817253 EI Annotated Mild C#Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587817254 EI Annotated Mild C#Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587817255 EI Annotated Mild C#Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587817256 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)cc2)N1 ZINC000587817400 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)cc2)N1 ZINC000587817401 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)cc2)N1 ZINC000587817403 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)cc2)N1 ZINC000587817404 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C#Cc2ccccc2)N1 ZINC000587817471 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C#Cc2ccccc2)N1 ZINC000587817472 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C#Cc2ccccc2)N1 ZINC000587817473 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C#Cc2ccccc2)N1 ZINC000587817474 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817559 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817560 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817561 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817562 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C#Cc2ccccc2)N1 ZINC000587817686 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C#Cc2ccccc2)N1 ZINC000587817687 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C#Cc2ccccc2)N1 ZINC000587817688 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C#Cc2ccccc2)N1 ZINC000587817689 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817910 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817912 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817915 EI Annotated Mild C=C1[C@@H]2CC[C@@H](C2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817916 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC#CC2CC2)N1 ZINC000587817948 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCC#CC2CC2)N1 ZINC000587817950 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC#CC2CC2)N1 ZINC000587817952 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC#CC2CC2)N1 ZINC000587817954 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(Cc3ccccc3C2)N1 ZINC000587817958 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(Cc3ccccc3C2)N1 ZINC000587817960 EI Annotated Anodyne C#Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587817976 EI Annotated Mild C#Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587817978 EI Annotated Mild C#Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587817980 EI Annotated Mild C#Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587817982 EI Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818092 EI Annotated Mild C#C[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818093 EI Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818095 EI Annotated Mild C#C[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818097 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2)N1 ZINC000587818183 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2)N1 ZINC000587818185 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2)N1 ZINC000587818186 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2)N1 ZINC000587818188 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2)N1 ZINC000587818294 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2)N1 ZINC000587818295 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2)N1 ZINC000587818296 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2)N1 ZINC000587818297 EI Annotated Anodyne C#CC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818368 EI Annotated Mild C#CC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818369 EI Annotated Mild CC(C)[C@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818503 EI Annotated Anodyne CC(C)[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818505 EI Annotated Anodyne CC(C)[C@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818507 EI Annotated Anodyne CC(C)[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818509 EI Annotated Anodyne C#Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587818816 EI Annotated Mild C#Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587818818 EI Annotated Mild C#Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587818819 EI Annotated Mild C#Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587818820 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc32)N1 ZINC000587818956 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc32)N1 ZINC000587818957 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc32)N1 ZINC000587818958 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc32)N1 ZINC000587818959 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C=O)N1 ZINC000587818989 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C=O)N1 ZINC000587818992 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C=O)N1 ZINC000587818995 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C=O)N1 ZINC000587818997 EI Annotated Anodyne C#Cc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819274 EI Annotated Mild C#Cc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819275 EI Annotated Mild C#Cc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819277 EI Annotated Mild C#Cc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819279 EI Annotated Mild C#Cc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587819295 EI Annotated Mild C#Cc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587819297 EI Annotated Mild C#Cc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587819298 EI Annotated Mild C#Cc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587819300 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2)N1 ZINC000587819334 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2)N1 ZINC000587819335 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2)N1 ZINC000587819337 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2)N1 ZINC000587819338 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C=O)N1 ZINC000587819441 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C=O)N1 ZINC000587819443 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C=O)N1 ZINC000587819445 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C=O)N1 ZINC000587819447 EI Annotated Anodyne CC(C)C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819455 EI Annotated Anodyne CC(C)C1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587819456 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(Cc3ccccc3C2)N1 ZINC000587819624 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(Cc3ccccc3C2)N1 ZINC000587819625 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc32)N1 ZINC000587820264 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc32)N1 ZINC000587820267 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc32)N1 ZINC000587820268 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc32)N1 ZINC000587820271 EI Annotated Anodyne C#CC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587820293 EI Annotated Mild C#CC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587820295 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)cc2)N1 ZINC000587820546 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)cc2)N1 ZINC000587820547 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)cc2)N1 ZINC000587820548 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)cc2)N1 ZINC000587820549 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCC#CC2CC2)N1 ZINC000587821242 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC#CC2CC2)N1 ZINC000587821243 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC#CC2CC2)N1 ZINC000587821244 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC#CC2CC2)N1 ZINC000587821245 EI Annotated Mild C#Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821697 EI Annotated Mild C#Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821698 EI Annotated Mild C#Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821699 EI Annotated Mild C#Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821700 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2)N1 ZINC000587821952 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2)N1 ZINC000587821954 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2)N1 ZINC000587821955 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2)N1 ZINC000587821956 EI Annotated Anodyne CC(C)[C@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823574 EI Annotated Anodyne CC(C)[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823576 EI Annotated Anodyne CC(C)[C@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823578 EI Annotated Anodyne CC(C)[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823580 EI Annotated Anodyne CC(C)C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823795 EI Annotated Anodyne CC(C)C1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823797 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587823891 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587823892 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587823893 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587823894 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587823895 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587823896 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587823897 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587823898 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587823996 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587823997 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587823998 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587824000 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587824001 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 ZINC000587824003 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587824004 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 ZINC000587824005 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccco2)N1 ZINC000587826239 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccco2)N1 ZINC000587826240 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccco2)N1 ZINC000587826241 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccco2)N1 ZINC000587826242 EI Annotated Anodyne C[C@H](O)CCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826339 EI Annotated Anodyne C[C@@H](O)CCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826340 EI Annotated Anodyne C[C@@H](O)CCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826341 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC[C@@H](C)O)N1 ZINC000587826343 EI Annotated Anodyne C[C@H](O)CCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826344 EI Annotated Anodyne C[C@H](O)CCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826345 EI Annotated Anodyne C[C@H](O)CCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826346 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC[C@@H](C)O)N1 ZINC000587826348 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826591 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826592 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826593 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826594 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C ZINC000587826914 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C ZINC000587826918 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C ZINC000587826920 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C ZINC000587826922 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C ZINC000587827290 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C ZINC000587827292 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C ZINC000587827293 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C ZINC000587827294 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccco2)N1 ZINC000587828222 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccco2)N1 ZINC000587828223 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccco2)N1 ZINC000587828224 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccco2)N1 ZINC000587828225 EI Annotated Anodyne CC1=CC2(C=C(C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828888 EI Annotated Anodyne CC1=CC2(C=C(C)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828889 EI Annotated Anodyne Cc1ccoc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828998 EI Annotated Anodyne Cc1ccoc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828999 EI Annotated Anodyne Cc1ccoc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829000 EI Annotated Anodyne Cc1ccoc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829001 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@H]2C3(C)C)N1 ZINC000587829062 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H]2C3(C)C)N1 ZINC000587829064 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H]2C3(C)C)N1 ZINC000587829066 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]2C3(C)C)N1 ZINC000587829068 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587829318 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587829320 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587829321 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587829323 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587829329 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587829330 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587829332 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587829334 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@H]2CCCO2)N1 ZINC000587829929 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@@H]2CCCO2)N1 ZINC000587829931 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@H]2CCCO2)N1 ZINC000587829932 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@@H]2CCCO2)N1 ZINC000587829934 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587830058 EI Annotated Anodyne CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587830059 EI Annotated Anodyne CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587830300 EI Annotated Anodyne CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587830301 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@H]2CCCO2)N1 ZINC000587830351 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@@H]2CCCO2)N1 ZINC000587830353 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@H]2CCCO2)N1 ZINC000587830354 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@@H]2CCCO2)N1 ZINC000587830356 EI Annotated Anodyne CC1=CC2(C=C(C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831121 EI Annotated Anodyne CC1=CC2(C=C(C)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831122 EI Annotated Anodyne Cc1ccoc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831469 EI Annotated Anodyne Cc1ccoc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831470 EI Annotated Anodyne Cc1ccoc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831472 EI Annotated Anodyne Cc1ccoc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831474 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCC(C)(C)O2)N1 ZINC000587831616 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCC(C)(C)O2)N1 ZINC000587831617 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCC(C)(C)O2)N1 ZINC000587831619 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCC(C)(C)O2)N1 ZINC000587831621 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCC(C)(C)O2)N1 ZINC000587831623 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCC(C)(C)O2)N1 ZINC000587831624 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCC(C)(C)O2)N1 ZINC000587831626 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCC(C)(C)O2)N1 ZINC000587831627 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831678 EI Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831680 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831681 EI Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587831682 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@H]2C3(C)C)N1 ZINC000587831764 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H]2C3(C)C)N1 ZINC000587831771 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H]2C3(C)C)N1 ZINC000587831780 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]2C3(C)C)N1 ZINC000587831789 EI Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587831825 EI Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587831828 EI Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587831832 EI Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587831835 EI Annotated Anodyne C[C@H](O)CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834439 EI Annotated Anodyne C[C@@H](O)CCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834515 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC[C@@H](C)O)N1 ZINC000587834517 EI Annotated Anodyne C[C@H](O)CCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834519 EI Annotated Anodyne C[C@H](O)CCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834521 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC[C@@H](C)O)N1 ZINC000587834524 EI Annotated Anodyne C[C@@H](O)CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834526 EI Annotated Anodyne C[C@H](O)CCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834527 EI Annotated Anodyne CS[C@H](C)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838282 EI Annotated Anodyne CS[C@H](C)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838287 EI Annotated Anodyne CS[C@H](C)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838288 EI Annotated Anodyne CS[C@H](C)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838289 EI Annotated Anodyne CC(C)SC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839502 EI Annotated Anodyne CC(C)SC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839503 EI Annotated Anodyne CC(C)SC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839504 EI Annotated Anodyne CC(C)SC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839505 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS)(C(C)(C)C)N1 ZINC000587841262 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS)(C(C)(C)C)N1 ZINC000587841266 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS)(C(C)(C)C)N1 ZINC000587841268 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS)(C(C)(C)C)N1 ZINC000587841270 EI Annotated Mild CSC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587841541 EI Annotated Anodyne CSC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587841546 EI Annotated Anodyne CSC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587841548 EI Annotated Anodyne CSC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 ZINC000587841550 EI Annotated Anodyne CCSCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841949 EI Annotated Anodyne CCSCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841951 EI Annotated Anodyne CCSCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841953 EI Annotated Anodyne CCSCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841954 EI Annotated Anodyne CSC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587841994 EI Annotated Anodyne CSC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587841998 EI Annotated Anodyne CSC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587842000 EI Annotated Anodyne CSC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587842002 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS)(C(C)(C)C)N1 ZINC000587842180 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS)(C(C)(C)C)N1 ZINC000587842181 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS)(C(C)(C)C)N1 ZINC000587842183 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS)(C(C)(C)C)N1 ZINC000587842184 EI Annotated Mild CC(C)SC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842636 EI Annotated Anodyne CC(C)SC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842637 EI Annotated Anodyne CC(C)SC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842638 EI Annotated Anodyne CC(C)SC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842639 EI Annotated Anodyne CS[C@H](C)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842644 EI Annotated Anodyne CS[C@H](C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842645 EI Annotated Anodyne CS[C@H](C)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842646 EI Annotated Anodyne CS[C@H](C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842647 EI Annotated Anodyne CSCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842758 EI Annotated Anodyne CSCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842759 EI Annotated Anodyne CSCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842760 EI Annotated Anodyne CSCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842761 EI Annotated Anodyne CSC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587843170 EI Annotated Anodyne CSC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587843171 EI Annotated Anodyne CSC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587843172 EI Annotated Anodyne CSC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587843173 EI Annotated Anodyne CSCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843508 EI Annotated Anodyne CSCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843509 EI Annotated Anodyne CSCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843511 EI Annotated Anodyne CSCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843512 EI Annotated Anodyne CC[C@]1([C@@H](C)S)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844917 EI Annotated Mild CC[C@]1([C@@H](C)S)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844918 EI Annotated Mild CC[C@]1([C@H](C)S)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844919 EI Annotated Mild CC[C@]1([C@H](C)S)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844920 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)S)N1 ZINC000587844941 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)S)N1 ZINC000587844945 EI Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)S)N1 ZINC000587844947 EI Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)S)N1 ZINC000587844948 EI Annotated Mild CSCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845062 EI Annotated Anodyne CSCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845063 EI Annotated Anodyne CSCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845064 EI Annotated Anodyne CSCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845065 EI Annotated Anodyne CCSCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845066 EI Annotated Anodyne CCSCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845067 EI Annotated Anodyne CCSCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845068 EI Annotated Anodyne CCSCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845069 EI Annotated Anodyne CC[C@]1([C@@H](C)S)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845324 EI Annotated Mild CC[C@]1([C@@H](C)S)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845325 EI Annotated Mild CC[C@]1([C@H](C)S)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845328 EI Annotated Mild CC[C@]1([C@H](C)S)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845330 EI Annotated Mild CC[C@]1(CSC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845526 EI Annotated Anodyne CC[C@@]1(CSC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845528 EI Annotated Anodyne CC[C@@]1(CSC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845529 EI Annotated Anodyne CC[C@]1(CSC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845530 EI Annotated Anodyne CSC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587846322 EI Annotated Anodyne CSC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587846323 EI Annotated Anodyne CSC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587846324 EI Annotated Anodyne CSC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 ZINC000587846325 EI Annotated Anodyne CSCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847176 EI Annotated Anodyne CSCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847178 EI Annotated Anodyne CSCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847179 EI Annotated Anodyne CSCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847181 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccs2)N1 ZINC000587847676 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccs2)N1 ZINC000587847678 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)S)N1 ZINC000587847820 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)S)N1 ZINC000587847821 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)S)N1 ZINC000587847822 EI Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)S)N1 ZINC000587847823 EI Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccs2)N1 ZINC000587847856 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccs2)N1 ZINC000587847857 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccs2)N1 ZINC000587847946 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccs2)N1 ZINC000587847947 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccs2)N1 ZINC000587847948 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccs2)N1 ZINC000587847949 EI Annotated Anodyne CC[C@]1(CSC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848524 EI Annotated Anodyne CC[C@@]1(CSC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848525 EI Annotated Anodyne CC[C@@]1(CSC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848526 EI Annotated Anodyne CC[C@]1(CSC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848527 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccsc2)N1 ZINC000587853004 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccsc2)N1 ZINC000587853005 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccsc2)N1 ZINC000587853006 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccsc2)N1 ZINC000587853007 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccsc2)N1 ZINC000587853014 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccsc2)N1 ZINC000587853015 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccsc2)N1 ZINC000587853016 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccsc2)N1 ZINC000587853017 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCSCC2)N1 ZINC000587853571 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCSCC2)N1 ZINC000587853572 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCSCC2)N1 ZINC000587853574 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCSCC2)N1 ZINC000587853575 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCSC2)N1 ZINC000587853609 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCSC2)N1 ZINC000587853620 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCSC2)N1 ZINC000587853621 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCSC2)N1 ZINC000587853622 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccs2)N1 ZINC000587853746 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccs2)N1 ZINC000587853749 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccs2)N1 ZINC000587853750 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccs2)N1 ZINC000587853751 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCSC2)N1 ZINC000587854034 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCSC2)N1 ZINC000587854035 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCSC2)N1 ZINC000587854036 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCSC2)N1 ZINC000587854037 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2)N1 ZINC000587854626 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2)N1 ZINC000587854628 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2)N1 ZINC000587854629 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2)N1 ZINC000587854630 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccs2)N1 ZINC000587854984 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccs2)N1 ZINC000587854986 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccs2)N1 ZINC000587854988 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccs2)N1 ZINC000587854990 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2)N1 ZINC000587854998 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2)N1 ZINC000587855007 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2)N1 ZINC000587855008 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2)N1 ZINC000587855011 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCSC2)N1 ZINC000587857561 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCSC2)N1 ZINC000587857563 EI Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCSC2)N1 ZINC000587857565 EI Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCSC2)N1 ZINC000587857567 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCSCC2)N1 ZINC000587857721 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCSCC2)N1 ZINC000587857722 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCSCC2)N1 ZINC000587857724 EI Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCSCC2)N1 ZINC000587857726 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCSC2)N1 ZINC000587858290 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCSC2)N1 ZINC000587858291 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCSC2)N1 ZINC000587858292 EI Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCSC2)N1 ZINC000587858293 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSC ZINC000587858993 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnccn1 ZINC000587859006 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cnccn1 ZINC000587859101 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ncccn1 ZINC000587859200 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cncnc1 ZINC000587859209 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnnc1 ZINC000587859369 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cncc(C)n1 ZINC000587859764 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CC(C)(C)O ZINC000587859808 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccn1 ZINC000587860065 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCCCO ZINC000587860210 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccncn1 ZINC000587860229 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccnnc1 ZINC000587860323 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccnc1C ZINC000587860328 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccnn1 ZINC000587860400 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@H](O)CC ZINC000587860417 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@@H](O)CC ZINC000587860450 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1[C@@H]1CCC[C@H]1O ZINC000587860485 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@H]1CCCO1 ZINC000587860565 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@@H]1CCCO1 ZINC000587860566 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C)nn1 ZINC000587860570 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)ncn1 ZINC000587860614 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cncnc1 ZINC000587860627 EI Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCS ZINC000587861741 EI Annotated Mild CC[C@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861810 EI Annotated Anodyne CC[C@@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861816 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1F ZINC000587861931 EI Annotated Anodyne C=C1CC(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)C1 ZINC000587861940 EI Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(F)n1 ZINC000587862215 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(F)c1 ZINC000587862324 EI Annotated Anodyne C=C(c1ccccn1)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862329 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(F)cn1 ZINC000587862330 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC(C)C ZINC000587862365 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1C ZINC000587862422 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)C ZINC000587862479 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)OC(C)(C)C ZINC000587862485 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(O)c1 ZINC000587862501 EI Annotated Anodyne CCCCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862503 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1CCc1ccncc1 ZINC000587862588 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000587862697 EI Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C)nc1 ZINC000587862921 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C)n1 ZINC000587862925 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C)cn1 ZINC000587862952 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)ccn1 ZINC000587863199 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@H]1CCCC[C@H]1O ZINC000587863228 EI Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1C#N ZINC000587863230 EI Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)cs1 ZINC000587864928 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@H]1CCC[C@H]1O ZINC000587865738 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cncc(C)n1 ZINC000587865802 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)ncn1 ZINC000587865858 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccncc1 ZINC000587865865 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CCOCC1 ZINC000587865898 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@@H]1CCCO1 ZINC000587865920 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@H]1CCCO1 ZINC000587865921 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccnc1 ZINC000587865924 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@@H]1C ZINC000587865935 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@@H]1C ZINC000587865936 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@H]1C ZINC000587865937 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@H]1C ZINC000587865938 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccnc1 ZINC000587865992 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C)nn1 ZINC000587866113 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(O)c1 ZINC000587866141 EI Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccnc1C ZINC000587866184 EI Annotated Anodyne CCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867493 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(C)C ZINC000587868133 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(C)(C)C ZINC000587868274 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)c1 ZINC000587868317 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1C ZINC000587868457 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1 ZINC000587868460 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CC1CCCC1 ZINC000587868491 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCCCC1 ZINC000587868795 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccs1 ZINC000587869791 EI Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccsc1 ZINC000587869916 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccc(F)c1 ZINC000587870139 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1cc(F)cc(F)c1 ZINC000587870427 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)cc(F)cc1F ZINC000587870482 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)cc(F)c1OC ZINC000587870524 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(C)nc1Cl ZINC000587870531 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)nc(Cl)c1C ZINC000587870556 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1Cl ZINC000587870591 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1cc(F)ccc1F ZINC000587870609 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1 ZINC000587870673 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(F)cc1 ZINC000587870701 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)c(F)cc1F ZINC000587870729 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(F)cccc1F ZINC000587870740 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(C)c1C ZINC000587870832 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(OC)c(F)c1 ZINC000587870897 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1C ZINC000587870922 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(F)c1[N+](=O)[O-] ZINC000587870996 EI Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)c(C)n1 ZINC000587871002 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C#N)c(F)c1 ZINC000587871031 EI Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccccc1C ZINC000587871156 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C#N)cc1F ZINC000587871184 EI Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(F)c(F)c1 ZINC000587871190 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)ccc1F ZINC000587871200 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1oc(C(C)C)nc1C#N ZINC000587871213 EI Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1F ZINC000587871226 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(F)c1F ZINC000587871234 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cc1F ZINC000587871244 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cnc2ccccc2n1 ZINC000587871293 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)c(F)c(F)c1 ZINC000587871316 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2ccccc12 ZINC000587871318 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)c(C#N)cc1F ZINC000587871324 EI Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Cl)cc1F ZINC000587871353 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(F)cc1F ZINC000587871354 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1ccnc(Cl)c1 ZINC000587871417 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1cc(Cl)ccn1 ZINC000587871421 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncc2ccccc2n1 ZINC000587871443 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2cccc(O)c2n1 ZINC000587871475 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)ccc1OC ZINC000587871489 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(Cl)c(C)c1C ZINC000587871513 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(OC)cc1 ZINC000587871606 EI Annotated Anodyne CCCCCCNC(=S)n1nc(-c2cccc(F)c2)cc1OCC ZINC000587871698 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3cccc(Br)n3)c2c1 ZINC000587871746 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2cc[nH]c12 ZINC000587871773 EI Annotated Anodyne Fc1ccc2oc3cc(nn3Cc3cncc(Br)c3)c2c1 ZINC000587871828 EI Annotated Anodyne Cc1cc(-n2nc3cc2oc2ccc(F)cc32)ncc1Br ZINC000587871870 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cccc([N+](=O)[O-])c1C ZINC000587871893 EI Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1Cc1ccccc1OC ZINC000587871905 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2[nH]ccc12 ZINC000587872076 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)c1C ZINC000587872105 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccs1 ZINC000587872114 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccsc1 ZINC000587872157 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2ccccc2[nH]1 ZINC000587872334 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nccnc1C1CCC1 ZINC000587872388 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c[nH]c2ccccc12 ZINC000587872428 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncccc3Br)c2c1 ZINC000587872501 EI Annotated Anodyne CCCCCNC(=S)n1nc(-c2cccc(F)c2)cc1OCC ZINC000587872515 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2sccc12 ZINC000587872516 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)OCc1ccccc1 ZINC000587872531 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ccc(Br)cn3)c2c1 ZINC000587872536 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)s1 ZINC000587872553 EI Annotated Anodyne Cc1cc(Br)cnc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587872559 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)c1ccccc1 ZINC000587872560 EI Annotated Anodyne O=C(O)c1ccc(Cl)c(-n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587872567 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3cncc(Br)c3)c2c1 ZINC000587872600 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(CC)c1 ZINC000587872778 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2ccsc12 ZINC000587872788 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ccnc(Br)c3)c2c1 ZINC000587872852 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3cc(Br)ccn3)c2c1 ZINC000587872976 EI Annotated Anodyne CCCOc1ccccc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873053 EI Annotated Anodyne N=C(c1ccc2ccccc2n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873185 EI Annotated Anodyne Cc1cnc(-n2nc3cc2oc2ccc(F)cc32)c(Br)c1 ZINC000587873217 EI Annotated Anodyne Cc1ccc(NCC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1 ZINC000587873249 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc4cc(F)c(F)cc4[nH]3)c2c1 ZINC000587873260 EI Annotated Anodyne CCc1ccccc1OCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873275 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CC)s1 ZINC000587873296 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1 ZINC000587873311 EI Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1C ZINC000587873319 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ccc(Br)nc3)c2c1 ZINC000587873341 EI Annotated Anodyne Cc1nc(-n2nc3cc2oc2ccc(F)cc32)ccc1Br ZINC000587873370 EI Annotated Anodyne COc1cc(Cl)ccc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873376 EI Annotated Anodyne O=C(Cc1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873380 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc(C(F)(F)F)cs3)c2c1 ZINC000587873443 EI Annotated Anodyne CCc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873454 EI Annotated Anodyne Cc1cc(C(F)(F)F)nc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587873524 EI Annotated Anodyne COc1ccc(Cl)cc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873525 EI Annotated Anodyne Cc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1 ZINC000587873545 EI Annotated Anodyne Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2ccccc2n1 ZINC000587873548 EI Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873555 EI Annotated Anodyne O=C(c1ccc2ncccc2c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873561 EI Annotated Anodyne O=[N+]([O-])c1cc(Cl)ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587873639 EI Annotated Bother O=C(Cc1ccc(F)cc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873661 EI Annotated Anodyne CC(C)c1c(Cl)ncnc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587873663 EI Annotated Anodyne O=C(c1cc2ccccc2cc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873666 EI Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)Nc3ccccc3F)c2c1 ZINC000587873685 EI Annotated Anodyne O=C(COc1ccccc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873719 EI Annotated Anodyne Cc1ccc(O[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873723 EI Annotated Anodyne Cc1ccc(O[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873724 EI Annotated Anodyne Cc1cc(C)cc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587873759 EI Annotated Anodyne Cc1cccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c1C ZINC000587873807 EI Annotated Anodyne O=C(c1ccc(F)cc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873812 EI Annotated Anodyne O=C(c1ccc(C(F)(F)F)nc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873839 EI Annotated Anodyne C=CCOc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873863 EI Annotated Mild O=C(Nc1c(F)cccc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873901 EI Annotated Anodyne Cc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1C ZINC000587873916 EI Annotated Anodyne O=C(CNc1ccccc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873945 EI Annotated Anodyne O=C(c1cnccc1C(F)(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873947 EI Annotated Anodyne CC(C)Oc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873951 EI Annotated Anodyne C[C@H](Oc1ccccc1F)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873955 EI Annotated Anodyne C[C@@H](Oc1ccccc1F)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873956 EI Annotated Anodyne CCOc1ccc(CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873957 EI Annotated Anodyne COc1ccc(CCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873966 EI Annotated Anodyne O=C(c1c(F)cccc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873973 EI Annotated Anodyne O=C(c1ccccc1OC(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873975 EI Annotated Anodyne Cc1cccc(O[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874004 EI Annotated Anodyne Cc1cccc(O[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874005 EI Annotated Anodyne Cc1ccccc1O[C@H](C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874007 EI Annotated Anodyne Cc1ccccc1O[C@@H](C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874008 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc4ccc(Cl)cc4[nH]3)c2c1 ZINC000587874065 EI Annotated Anodyne O=C(Cc1cccc(Cl)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874081 EI Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874087 EI Annotated Anodyne O=C(c1ccc2ccccc2c1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874100 EI Annotated Anodyne Cc1ccc(C)c(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874107 EI Annotated Anodyne CC(C)(C)[C@H]1OCC[C@@H]1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874165 EI Annotated Anodyne O=C(Cc1ccccc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587874176 EI Annotated Anodyne O=C(c1ccc(-c2cnco2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874179 EI Annotated Anodyne O=C(c1cncc2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587874183 EI Annotated Anodyne O=C(CSc1ccccc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587874192 EI Annotated Anodyne C[C@H](Oc1ccc(F)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874200 EI Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874201 EI Annotated Anodyne CCCOc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874229 EI Annotated Anodyne Fc1cccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874254 EI Annotated Anodyne Cc1cccc(C)c1OCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874258 EI Annotated Anodyne O=[N+]([O-])c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1 ZINC000587874272 EI Annotated Bother O=C(COc1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874284 EI Annotated Anodyne O=C(NCc1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874305 EI Annotated Anodyne O=C(c1ccc(Cl)cc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587874323 EI Annotated Anodyne O=C(n1nc2cc1oc1ccc(F)cc21)C(F)(F)Oc1ccccc1 ZINC000587874363 EI Annotated Anodyne Fc1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)c(F)c1 ZINC000587874387 EI Annotated Anodyne CC[C@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1cc(Cl)cn1 ZINC000587874401 EI Annotated Anodyne CC[C@@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1cc(Cl)cn1 ZINC000587874402 EI Annotated Anodyne O=C(c1cccc(OC(F)F)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874421 EI Annotated Anodyne O=C(c1ccnc2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587874447 EI Annotated Anodyne O=C(c1cccc2cccnc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587874487 EI Annotated Anodyne Cc1ccc(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)o1 ZINC000587874647 EI Annotated Anodyne O=C(c1cc(-c2ccccc2)on1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874711 EI Annotated Anodyne N#Cc1nc(-c2ccccc2)oc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587874737 EI Annotated Mild CN(C)c1ccc(NC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874745 EI Annotated Anodyne O=C(c1ccc2ccccc2n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874750 EI Annotated Anodyne O=C(c1cccc2ncccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587875061 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nnc(-c4ccccc4)s3)c2c1 ZINC000587875342 EI Annotated Anodyne C[C@@H]1CCC[C@H](NC(=S)n2nc3cc2oc2ccc(F)cc32)[C@@H]1C ZINC000587875370 EI Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=S)n2nc3cc2oc2ccc(F)cc32)[C@@H]1C ZINC000587875373 EI Annotated Anodyne C[C@@H]1[C@@H](NC(=S)n2nc3cc2oc2ccc(F)cc32)CCC[C@H]1C ZINC000587875377 EI Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587875378 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ccc(-c4cccs4)nn3)c2c1 ZINC000587875419 EI Annotated Anodyne O=C(c1ccccc1-n1cccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875502 EI Annotated Anodyne COc1ccc(COC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587875552 EI Annotated Anodyne O=C(Cn1ccc2ccccc21)n1nc2cc1oc1ccc(F)cc21 ZINC000587875621 EI Annotated Anodyne O=C(c1nc2ccccc2s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875766 EI Annotated Anodyne COc1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587875776 EI Annotated Anodyne O=C(CN1CCCc2ccccc21)n1nc2cc1oc1ccc(F)cc21 ZINC000587875815 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ccc(-c4ccccc4)nn3)c2c1 ZINC000587875886 EI Annotated Anodyne C[C@H](CN1CCCCCC1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875896 EI Annotated Anodyne C[C@@H](CN1CCCCCC1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875898 EI Annotated Anodyne Cc1cc(-n2nc3cc2oc2ccc(F)cc32)nc(-c2ccccn2)n1 ZINC000587875905 EI Annotated Anodyne O=C(c1ccc(-n2cccc2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875934 EI Annotated Anodyne Oc1cc(-c2ccccc2)nc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587876014 EI Annotated Anodyne Cn1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2ccccc21 ZINC000587876129 EI Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876278 EI Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876281 EI Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876282 EI Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876283 EI Annotated Anodyne O=C(c1cc(-c2ccccc2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876306 EI Annotated Anodyne COc1cccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587876371 EI Annotated Anodyne Cc1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876452 EI Annotated Anodyne C#Cc1cccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587876565 EI Annotated Mild O=C(CSc1ccccc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876592 EI Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nccc(-c4cccs4)n3)c2c1 ZINC000587876608 EI Annotated Anodyne CSc1ccccc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876635 EI Annotated Anodyne CSc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876674 EI Annotated Anodyne Cc1ccccc1NC(=S)n1nc2cc1oc1ccc(F)cc21 ZINC000587876838 EI Annotated Anodyne O=C(c1cc2c(s1)CCC2)n1nc2cc1oc1ccc(F)cc21 ZINC000587876839 EI Annotated Anodyne O=C(c1cc2sccc2cn1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876851 EI Annotated Anodyne O=C(c1ccccc1N1CCCC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876985 EI Annotated Anodyne CSc1nc(Cl)cc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587877014 EI Annotated Anodyne O=C(CSCc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877159 EI Annotated Anodyne CCc1cc2c(-n3nc4cc3oc3ccc(F)cc43)ncnc2s1 ZINC000587877194 EI Annotated Anodyne C=Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878822 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CBr)ccn1 ZINC000587897886 EI Annotated Reactive COc1ccc(Cl)cc1C#CCc1ncc(Cl)nc1Cl ZINC000587897933 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(-c2noc(C)n2)cc1 ZINC000587897938 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccnc(Br)c1 ZINC000587898096 EI Annotated Mild CCOC(=O)c1ccc(CC#Cc2cc(Cl)ccc2OC)cc1 ZINC000587898251 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccccc1-c1nc(C)no1 ZINC000587898254 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1cccnc1Br ZINC000587898281 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncccc1CBr ZINC000587898615 EI Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(Cl)ccc1OCC#N ZINC000587898807 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1cccc(Br)n1 ZINC000587898841 EI Annotated Mild C=C(C#Cc1cc(Cl)ccc1OC)CN(C)Cc1ccccc1 ZINC000587899208 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc([C@@H]2CCCN2)c1C ZINC000587899285 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc([C@H]2CCCN2)c1C ZINC000587899287 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)c(OC)cc1Cl ZINC000587899380 EI Annotated Mild CCCNc1c(N)cc(C#N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587899396 EI Annotated Mild CCN(CC)c1cccc(C#Cc2cc(Cl)ccc2OC)c1C#N ZINC000587899428 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)cc(O)c1O ZINC000587899440 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)nc(Cl)c1N ZINC000587899450 EI Annotated Mild CCOc1c(Cl)cc(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587899728 EI Annotated Mild CCCCOc1cc(N)c(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587899820 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1Br ZINC000587899822 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1C=O ZINC000587899837 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C=O)cc1Br ZINC000587899857 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1C1(N)CC1 ZINC000587899879 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)ccc1N1CCOC1=O ZINC000587899928 EI Annotated Mild CCOc1cc(C#N)cc(C#Cc2cc(Cl)ccc2OC)c1OC ZINC000587899966 EI Annotated Mild CCOc1c(N)cc(Cl)cc1C#Cc1cc(Cl)ccc1OC ZINC000587899998 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(OC(C)C)c1C#N ZINC000587900136 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)c([N+](=O)[O-])cc1Cl ZINC000587900215 EI Annotated Mild CCCOc1cc(NC)c(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587900260 EI Annotated Mild CNC(=O)Oc1cc(C)c(C#Cc2cc(Cl)ccc2OC)c(C)c1 ZINC000587900272 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C#N)cc1Br ZINC000587900304 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCC2=O)cc1C ZINC000587900369 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)cc(OCC#N)cc1C ZINC000587900415 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(Cl)c1OC ZINC000587900462 EI Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c(Cl)c(OC)c1 ZINC000587900511 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CCCN2)cc1C ZINC000587900732 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CCCN2)cc1C ZINC000587900734 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1CCN=C=O ZINC000587900802 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cccc(N2CCCC2)c1C#N ZINC000587900835 EI Annotated Mild CCCNc1cc(OC)c(C#Cc2cc(Cl)ccc2OC)cc1N ZINC000587900844 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(NC2CC2)c1[N+](=O)[O-] ZINC000587900861 EI Annotated Mild CNc1c([N+](=O)[O-])ccc(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587900878 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(C=O)c1OC ZINC000587900894 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1C=O ZINC000587900962 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1C#N ZINC000587901013 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1OC(C)C ZINC000587901106 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1O ZINC000587901143 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1O ZINC000587901278 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)cc1Br ZINC000587901515 EI Annotated Mild CC[C@@H](Cc1ccccc1C#Cc1cc(Cl)ccc1OC)NC ZINC000587901555 EI Annotated Mild CC[C@H](Cc1ccccc1C#Cc1cc(Cl)ccc1OC)NC ZINC000587901556 EI Annotated Mild CCN(CC)c1ccc(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587901561 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)ccc1Br ZINC000587901838 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)cccc1Br ZINC000587901889 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O)c(-c2ccno2)c1 ZINC000587901983 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000587902037 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC(C)C)c([N+](=O)[O-])c1 ZINC000587902082 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc(Cl)c(C#N)c1C ZINC000587902283 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2ncccc2c1[N+](=O)[O-] ZINC000587902501 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c([C@H]2CCCN2)c1 ZINC000587902559 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c([C@@H]2CCCN2)c1 ZINC000587902561 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1C1=NC(C)(C)CO1 ZINC000587902612 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1Oc1cccnn1 ZINC000587902736 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn([C@@H]2CCCCO2)c1C ZINC000587902741 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn([C@H]2CCCCO2)c1C ZINC000587902742 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cnc1N1CCCC1 ZINC000587902978 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc2nc(O)ccc2c1C ZINC000587902979 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCC2)nc1C ZINC000587903058 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(C)nccc2nc1OC ZINC000587903062 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2ccccc2)c[nH]c1=N ZINC000587903140 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc2c(c1C)CCCN2 ZINC000587903143 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C)c(N2CCCC2=O)c1 ZINC000587903310 EI Annotated Mild COc1ccc(-c2n[nH]cc2C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587903325 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000587903345 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C=O)c(N2CCCC2)c1 ZINC000587903765 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc(Cl)nc1Cl ZINC000587903806 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000587903930 EI Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)cc(CCC#N)c1 ZINC000587904263 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(O)cc(N2CCCCC2)c1 ZINC000587904460 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(N2CCC(C)CC2)c1 ZINC000587904903 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(N2CCCCC2)c1 ZINC000587905289 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(NC2CCCC2)c1 ZINC000587905507 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC[C@@H]2CCCO2)cc1 ZINC000587906335 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC[C@H]2CCCO2)cc1 ZINC000587906336 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(C#N)no2)cc1 ZINC000587906500 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2c(C)noc2N)cc1 ZINC000587906504 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C2=NC(C)(C)CO2)cc1 ZINC000587906867 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nncc(Cl)c2c1 ZINC000587906976 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2oc(CN)cc2c1 ZINC000587906997 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(CN(C)C)c[nH]c2c1 ZINC000587907063 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(CCl)[nH]c2c1 ZINC000587907167 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc2c(cc1OC)NCCC2 ZINC000587907285 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[nH]c(=N)n2C(C)C ZINC000587907525 EI Annotated Mild COCc1nc2cc(C#Cc3cc(Cl)ccc3OC)ccc2o1 ZINC000587907611 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c3c(c1)CCCN3CCC2 ZINC000587907651 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c2oc(C)nc2c1 ZINC000587907680 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c2oc(O)nc2c1 ZINC000587907682 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(Cl)nncc2c1 ZINC000587907700 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2cccnn2)cc1 ZINC000587907773 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1CCl)OCCO2 ZINC000587907868 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(=NCc2ccccc2)[nH]c1 ZINC000587907990 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c3c(c1)cc(O)n3CCC2 ZINC000587908033 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NCc2ccccn2)nc1 ZINC000587908098 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1CCl)OCO2 ZINC000587908171 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)O[C@H](C)CN2 ZINC000587908200 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)O[C@@H](C)CN2 ZINC000587908201 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Cl)NCCO2 ZINC000587908260 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC2CCCCC2)nc1 ZINC000587908375 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC2CCCC2)nc1 ZINC000587908472 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCC(C)CC2)nc1 ZINC000587908531 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H]([C@@H](C)N=O)CO2 ZINC000587908608 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H]([C@H](C)N=O)CO2 ZINC000587908609 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H]([C@@H](C)N=O)CO2 ZINC000587908610 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H]([C@H](C)N=O)CO2 ZINC000587908611 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nn(C)c(Cl)c2c1 ZINC000587908670 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(C)cc(C#N)c2c1 ZINC000587908739 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(=O)OC(C)(C)C)nc1C ZINC000587908826 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NCC(C)(C)O2 ZINC000587908929 EI Annotated Mild C=Cc1nc(O)c2cc(C#Cc3cc(Cl)ccc3OC)ccc2n1 ZINC000587909049 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC2CCCC2)c(N)c1 ZINC000587909118 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(cnn2CCC#N)c1 ZINC000587909130 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c2[nH]c(=N)ccc2c1 ZINC000587909309 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H](N)CC(C)(C)O2 ZINC000587909328 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H](N)CC(C)(C)O2 ZINC000587909330 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2oc(=O)c(C#N)c(C)c2c1 ZINC000587909350 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N)c(NC2CCCC2)c1 ZINC000587909371 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(CCc2ccccc2)c1 ZINC000587909420 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)CCCO2 ZINC000587909465 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)COC(C)(C)O2 ZINC000587909498 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(=O)cc[nH]c2cc1Cl ZINC000587909552 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC1(CCCC1)N2 ZINC000587909821 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2oc(CN=O)cc2c1 ZINC000587909947 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(Cl)ccnc2c1 ZINC000587910038 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cl)c2c1CCNC2 ZINC000587910223 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1CC(C)(C)O2 ZINC000587910311 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2cc(CN=O)oc2c1 ZINC000587910333 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CC#N)cc2c1OCC=C2 ZINC000587910414 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)nc1C ZINC000587910506 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c(C)n1 ZINC000587910548 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Cl)c(Cl)cc1N ZINC000587910574 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)n1 ZINC000587910708 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)c(-c2ccccc2)n1 ZINC000587910808 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1OCC1(CC1)CO2 ZINC000587910963 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2[nH]cc(CN(C)C)c12 ZINC000587910975 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2[nH]cc(C=O)c12 ZINC000587910996 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cl)c2[nH]c(=N)ccc12 ZINC000587911043 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c2c([N+](=O)[O-])cccc12 ZINC000587911063 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1OCCC2=O ZINC000587911114 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1CCCC(=O)N2 ZINC000587911126 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000587911180 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2ncc(Cl)nc12 ZINC000587911195 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cncc2cccc([N+](=O)[O-])c12 ZINC000587911211 EI Annotated Mild COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c2occc12 ZINC000587911359 EI Annotated Mild COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c2cc[nH]c12 ZINC000587911386 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CCl)cc2c1OCO2 ZINC000587911410 EI Annotated Reactive CCc1nc2cc(OC)cc(C#Cc3cc(Cl)ccc3OC)c2o1 ZINC000587911525 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)ccc2c1C(=O)CCC2 ZINC000587911536 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1OC[C@H](C)CO2 ZINC000587911588 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1OC[C@@H](C)CO2 ZINC000587911589 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1OCCCC2=O ZINC000587911604 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2c1OCCC2=O ZINC000587911621 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2c1CCC(=O)N2 ZINC000587911653 EI Annotated Mild CCn1c(C)nc2cc(C#N)cc(C#Cc3cc(Cl)ccc3OC)c21 ZINC000587911680 EI Annotated Mild CCCn1cnc2cc(C#N)cc(C#Cc3cc(Cl)ccc3OC)c21 ZINC000587911697 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1nc(Cl)n2C ZINC000587911700 EI Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c2oc(C)nc2c1 ZINC000587911737 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc2cc[nH]c12 ZINC000587911886 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c2cccnc12 ZINC000587911945 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c(CN(C)C)c[nH]c12 ZINC000587911959 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(CCl)o2)o1 ZINC000587912013 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C(C)(C)C)nc2ncccn12 ZINC000587912055 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(CCl)cn2c1 ZINC000587912438 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cccc2nc(CCl)cn12 ZINC000587912439 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccn2cc(CCl)nc2c1 ZINC000587912907 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc2nc(C)n(C(C)C)c2n1 ZINC000587913271 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1nnc2ccccc2c1Cl ZINC000587913533 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(OCC(F)(F)F)n1 ZINC000587913874 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)nc1C ZINC000587914390 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)ccc1OC(F)(F)F ZINC000587914410 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c(C(F)(F)F)n1 ZINC000587914420 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C(F)(F)F)ccc1F ZINC000587914477 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cc(OC(F)(F)F)c1 ZINC000587914514 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(C=O)c1OC(F)F ZINC000587914692 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Cl)ncnc1C(F)(F)F ZINC000587914693 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)cc1OC(F)(F)F ZINC000587914772 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1N ZINC000587914803 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C#N)c(OC(F)F)c1 ZINC000587914807 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)c(F)cc([N+](=O)[O-])c1F ZINC000587914838 EI Annotated Mild CCCn1cc(C#Cc2cc(Cl)ccc2OC)c(C(F)(F)F)n1 ZINC000587914848 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)nc1C(F)(F)F ZINC000587914867 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(OC(F)F)c1 ZINC000587914900 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(C#N)cc1OC(F)F ZINC000587914908 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(F)cc(Cl)c1F ZINC000587914919 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000587915035 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000587915092 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(Cl)c(F)c1N ZINC000587915258 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000587915365 EI Annotated Mild C=CCNCc1cc(C#Cc2cc(Cl)ccc2OC)ccc1F ZINC000587915374 EI Annotated Mild CCCNc1cc(F)c(C#Cc2cc(Cl)ccc2OC)cc1N ZINC000587915384 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)F)n[nH]c1C(F)F ZINC000587915523 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1N ZINC000587915544 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1O ZINC000587915556 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cn1 ZINC000587915649 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(F)c(Cl)c1N ZINC000587915724 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(Cl)c1F ZINC000587915725 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000587915782 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1OC(F)F ZINC000587915836 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])cc(F)c(F)c1F ZINC000587915837 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(SC#N)c(F)cc1N ZINC000587915985 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1cnn(-c2ccccc2F)c1 ZINC000587916059 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1F ZINC000587916082 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c(Br)n1 ZINC000587916118 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(C)no2)c(F)c1 ZINC000587916205 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(C)o2)c(F)c1 ZINC000587916332 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(N2CCCC2)c1 ZINC000587916440 EI Annotated Mild CCCNCc1ccc(C#Cc2cc(Cl)ccc2OC)cc1F ZINC000587916488 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)c(Cl)nn2C ZINC000587916532 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(F)cc2)c1 ZINC000587916545 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc([C@H]2CCCN2)c1 ZINC000587916565 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc([C@@H]2CCCN2)c1 ZINC000587916566 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1F ZINC000587916586 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CCCN2)cc1F ZINC000587916628 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CCCN2)cc1F ZINC000587916629 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2NCCS2)c(F)c1 ZINC000587916690 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2NCCS2)c(F)c1 ZINC000587916691 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)ccc1N1CCCC1=O ZINC000587916764 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(-c2ncon2)cc1F ZINC000587916849 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc([C@@H](N)C2CC2)c1 ZINC000587916857 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc([C@H](N)C2CC2)c1 ZINC000587916859 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(C2(C#N)CC2)c1 ZINC000587916870 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nnn(C(C)C)c2cc1F ZINC000587917150 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nc(C)[nH]c2c(F)c1F ZINC000587917257 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(F)cn1 ZINC000587917332 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2nc(Cl)ncc2c1 ZINC000587917420 EI Annotated Mild CCn1cnc2cc(C#Cc3cc(Cl)ccc3OC)c(F)c(F)c21 ZINC000587917465 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)cncc1Br ZINC000587917572 EI Annotated Mild CCCn1nnc2cc(C#Cc3cc(Cl)ccc3OC)c(F)cc21 ZINC000587917587 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)ccnc1F ZINC000587917669 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2c(O)nccc2c1 ZINC000587917899 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(Cl)ncc2c1F ZINC000587917946 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c(F)n1 ZINC000587917993 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)/C=C/N(C)C ZINC000587918804 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)/C=C\N(C)C ZINC000587918805 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)N=C=S ZINC000587918895 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1csc(CN2CCCC2)c1 ZINC000587919015 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c(C)cc1SC#N ZINC000587919405 EI Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C)nc(SC)nc1Cl ZINC000587919599 EI Annotated Mild Clc1cccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)c1 ZINC000587920033 EI Annotated Anodyne Cc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1C ZINC000587920085 EI Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cc2c(Cl)ncnc2s1 ZINC000587920099 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2[nH]c(=N)sc2c1 ZINC000587920137 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2nsnc12 ZINC000587920162 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2[nH]c(=N)sc2cc1C ZINC000587920163 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c2[nH]c(=N)sc2c1 ZINC000587920164 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1nsc2nc(C)cc(C)c12 ZINC000587920171 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)sc2c(O)nc(C)nc12 ZINC000587920192 EI Annotated Mild Cc1ccc(-c2csc(CCNC(=O)OC(C)(C)C)n2)cc1C ZINC000587920202 EI Annotated Anodyne COc1ccc(Cl)cc1C#Cc1csc2cnc(Cl)nc12 ZINC000587920225 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C2(CN)CCC2)s1 ZINC000587920247 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(=N)[nH]c1-c1ccccc1 ZINC000587920257 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)sc1C ZINC000587920292 EI Annotated Mild C/C=C1\NNC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1CC ZINC000587920382 EI Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1CC ZINC000587920383 EI Annotated Anodyne Cc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1C ZINC000587920387 EI Annotated Anodyne COC(=O)c1cc2cc(C#Cc3cc(Cl)ccc3OC)sc2[nH]1 ZINC000587920390 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1csc2ncnc(Cl)c12 ZINC000587920396 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)OC(C)C)s1 ZINC000587920461 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(=N)[nH]2)s1 ZINC000587920479 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc2sc(=N)[nH]c12 ZINC000587920489 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)sc1nncn12 ZINC000587920566 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1cnc(Br)s1 ZINC000587920616 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(C=O)sc2c1 ZINC000587920664 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(N(C)C)sc2c1 ZINC000587920705 EI Annotated Mild CCc1cc(C#Cc2cc(Cl)ccc2OC)cc2sc(=N)[nH]c12 ZINC000587920714 EI Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(-c2csnn2)cc1 ZINC000587920742 EI Annotated Mild C/C=C1/NNC(=O)C(c2nc(-c3ccc(C)c(C)c3)cs2)=C1CC ZINC000587920750 EI Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(C)c(C)c3)cs2)=C1CC ZINC000587920756 EI Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cnc2nc(S)sc2c1 ZINC000587920789 EI Annotated Mild Cc1cc2ncc(-c3nc(-c4cccc(Cl)c4)cs3)cn2n1 ZINC000587920790 EI Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cc(C)c(C)c2sc(=N)[nH]c12 ZINC000587920797 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1csc(=N)[nH]1 ZINC000587920799 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)/C=C\N(C)C)s1 ZINC000587920833 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)/C=C/N(C)C)s1 ZINC000587920834 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(C)n2)s1 ZINC000587920855 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(Br)nc1C ZINC000587920947 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1csc2c(Cl)ncnc12 ZINC000587920984 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccsc1-c1csc(=N)[nH]1 ZINC000587921036 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(s1)C(Cl)=NCN2 ZINC000587921108 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(=N)[nH]2)cc1 ZINC000587921170 EI Annotated Mild COC(=O)[C@H](C)c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587921187 EI Annotated Mild COC(=O)[C@@H](C)c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587921188 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(-c2csc(=N)[nH]2)c1 ZINC000587921238 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H](N)[C@H](C)CS2 ZINC000587921249 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H](N)[C@@H](C)CS2 ZINC000587921251 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H](N)[C@H](C)CS2 ZINC000587921253 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H](N)[C@@H](C)CS2 ZINC000587921257 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nccc(C(=O)O)c2s1 ZINC000587921301 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(-c2ccccn2)n1 ZINC000587921320 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2[nH]c(=N)sc2c1C ZINC000587921372 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2sc(=N)[nH]c12 ZINC000587921415 EI Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2ncnc(Cl)c2s1 ZINC000587921422 EI Annotated Mild Cn1c(Cc2nc(-c3ccc(C#N)cc3)cs2)nc2ccccc21 ZINC000587921507 EI Annotated Mild C[C@H](Cn1cc(Cl)cn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000587921511 EI Annotated Mild C[C@@H](Cn1cc(Cl)cn1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000587921512 EI Annotated Mild N#Cc1ccc(-c2csc(-c3cn(C4CCCC4)[nH]c3=N)n2)cc1 ZINC000587921563 EI Annotated Mild Cc1cccn2cc(Cc3nc(-c4ccc(C#N)cc4)cs3)nc12 ZINC000587921614 EI Annotated Mild Cc1nn(CCc2nc(-c3ccc(C#N)cc3)cs2)c(C)c1Cl ZINC000587921631 EI Annotated Mild N#Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1 ZINC000587921727 EI Annotated Mild N#Cc1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1 ZINC000587921728 EI Annotated Mild N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000587921765 EI Annotated Reactive N#C/C(=C\c1ccc(O)c(O)c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000587921766 EI Annotated Reactive CC(C)(C)OC(=O)NCCc1nc(-c2cc(F)ccc2F)cs1 ZINC000587921781 EI Annotated Anodyne COC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587921801 EI Annotated Clean O=C(O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 ZINC000587921816 EI Annotated Anodyne O=C(O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 ZINC000587921817 EI Annotated Anodyne N=c1[nH]n(C2CCCC2)cc1-c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000587921855 EI Annotated Anodyne N#C/C(=C\c1ccc(O)c(O)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000587921889 EI Annotated Reactive N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000587921890 EI Annotated Reactive CC(C)(C)OC(=O)NCCc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000587921974 EI Annotated Anodyne Cc1cc2ncc(-c3nc(-c4cc(F)ccc4F)cs3)cn2n1 ZINC000587922150 EI Annotated Anodyne N=c1[nH]n(C2CCCC2)cc1-c1nc(-c2cc(F)ccc2F)cs1 ZINC000587922186 EI Annotated Anodyne NC(=S)c1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000587922195 EI Annotated Anodyne CC(C)(C)OC(=O)NCCCc1nc(-c2ccc(F)cc2)cs1 ZINC000587922467 EI Annotated Anodyne Cc1cc2ncc(-c3nc(-c4ccc(F)c(F)c4)cs3)cn2n1 ZINC000587922720 EI Annotated Anodyne Cc1cc(-c2csc(CCCO)n2)c(C)n1-c1ccccc1F ZINC000587922765 EI Annotated Clean Cc1cc(-c2csc(CC(N)=S)n2)c(C)n1-c1ccccc1F ZINC000587922799 EI Annotated Clean CC(=O)OCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922858 EI Annotated Clean N=c1[nH]n(C2CCCC2)cc1-c1nc(-c2ccc(F)cc2)cs1 ZINC000587923138 EI Annotated Anodyne CN(CCc1nc(-c2ccc(F)cc2)cs1)C(=O)OC(C)(C)C ZINC000587923168 EI Annotated Anodyne COc1ccc(CCCc2nc3ccc(SC)cc3[nH]2)cc1OC ZINC000587924696 EI Annotated Anodyne COc1cc(C)ccc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587924736 EI Annotated Mild COc1ccc(CCCc2nc3cc(F)cc(F)c3[nH]2)cc1OC ZINC000587924952 EI Annotated Anodyne COc1cc(C)ccc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587924962 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(C)cc(F)c3[nH]2)cc1OC ZINC000587925010 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(F)cc(F)c3[nH]2)cc1OC ZINC000587925176 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(F)cc(F)c3[nH]2)cc1OC ZINC000587925178 EI Annotated Anodyne COc1cc(C)ccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587925258 EI Annotated Anodyne COc1cc(C2(c3nc4cc(C#N)cc(Cl)c4[nH]3)CC2)ccc1C ZINC000587925312 EI Annotated Mild COc1cc(C)ccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587925313 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587925455 EI Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587925456 EI Annotated Bother COc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC ZINC000587925557 EI Annotated Anodyne COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1C ZINC000587925630 EI Annotated Anodyne COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1C ZINC000587925633 EI Annotated Anodyne C=CCc1cccc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c12 ZINC000587925797 EI Annotated Mild COc1cc(C)ccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587925852 EI Annotated Mild COc1cc(C)ccc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587925877 EI Annotated Anodyne COc1ccc(CCCc2nc3ccc(F)c(F)c3[nH]2)cc1OC ZINC000587925907 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587925984 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587925985 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587925988 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587925989 EI Annotated Anodyne COc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587925990 EI Annotated Anodyne COc1ccc(OC)c(-c2nc3cc4ccccc4cc3[nH]2)c1OC ZINC000587926043 EI Annotated Anodyne COc1ccc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC ZINC000587926097 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1OC ZINC000587926190 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1OC ZINC000587926191 EI Annotated Anodyne COc1cc(C)ccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587926199 EI Annotated Anodyne COc1cc(C)ccc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587926299 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(C)c(F)cc3[nH]2)cc1OC ZINC000587926375 EI Annotated Anodyne COc1cc(C2(c3nc4c(F)cnc(Cl)c4[nH]3)CC2)ccc1C ZINC000587926396 EI Annotated Anodyne CCN=c1cc(-c2nc(-c3ccc(SC)cc3)cs2)cc[nH]1 ZINC000587926412 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(F)c(F)cc3[nH]2)cc1OC ZINC000587926413 EI Annotated Anodyne COc1ccc(CCCc2nc3cnc4ccccc4c3[nH]2)cc1OC ZINC000587926439 EI Annotated Anodyne COc1cc(C2(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)ccc1C ZINC000587926488 EI Annotated Anodyne COc1cc(C2(c3nc4cc(C(F)(F)F)cnc4[nH]3)CC2)ccc1C ZINC000587926499 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000587926631 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000587926633 EI Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1OC ZINC000587926669 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C)cc(F)c3[nH]2)cc1OC ZINC000587926670 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(C)cc(F)c3[nH]2)cc1OC ZINC000587926672 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(F)c(F)cc3[nH]2)cc1OC ZINC000587926704 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(F)c(F)cc3[nH]2)cc1OC ZINC000587926706 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC ZINC000587926715 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC ZINC000587926717 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1OC ZINC000587926725 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1OC ZINC000587926726 EI Annotated Anodyne COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1F ZINC000587926755 EI Annotated Anodyne COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1F ZINC000587926757 EI Annotated Anodyne COc1cccc(-c2cccc(-n3c(OC)cc(C#N)c3OC)c2)c1 ZINC000587926785 EI Annotated Mild COc1ccc(OC)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1OC ZINC000587926860 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587926875 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587926876 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587927047 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587927048 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C)c(F)cc3[nH]2)cc1OC ZINC000587927083 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(C)c(F)cc3[nH]2)cc1OC ZINC000587927085 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587927104 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587927106 EI Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1OC ZINC000587927296 EI Annotated Anodyne COc1ccc(CCCc2nc3ccc(Cl)cc3[nH]2)cc1OC ZINC000587927308 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(F)c(F)c3[nH]2)cc1OC ZINC000587927335 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(F)c(F)c3[nH]2)cc1OC ZINC000587927336 EI Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC ZINC000587927337 EI Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC ZINC000587927338 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587927346 EI Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587927347 EI Annotated Bother COc1cc(C2(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CC2)ccc1C ZINC000587927624 EI Annotated Bother COc1cc(C2(c3nc4cc(OC)c(F)cc4[nH]3)CC2)ccc1C ZINC000587927640 EI Annotated Anodyne COc1ccc(CCCc2nc3c(C)cnc(Cl)c3[nH]2)cc1OC ZINC000587927689 EI Annotated Anodyne COc1ccc(CCCc2nc3cccc(Cl)c3[nH]2)cc1OC ZINC000587927728 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587927755 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587927760 EI Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587927868 EI Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1OC ZINC000587927875 EI Annotated Anodyne COc1cc(C2(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC2)ccc1C ZINC000587928040 EI Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587928098 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587928099 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(OC)c2[nH]1 ZINC000587928137 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(OC)c2[nH]1 ZINC000587928138 EI Annotated Anodyne COc1cc(C2(c3nc4cc(F)c(F)c(F)c4[nH]3)CC2)ccc1C ZINC000587928198 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(C)nc(C)cc2[nH]1 ZINC000587928199 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(C)nc(C)cc2[nH]1 ZINC000587928200 EI Annotated Anodyne COc1cc(C2(c3nc4c(C)cnc(Cl)c4[nH]3)CC2)ccc1C ZINC000587928203 EI Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587928209 EI Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587928210 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(C)c(F)cc3[nH]2)c(OC)c1 ZINC000587928304 EI Annotated Anodyne COc1ccc(CCCc2nc3cccc(Cl)c3[nH]2)c(OC)c1 ZINC000587928512 EI Annotated Anodyne COc1ccc(CCCc2nc3ccc4ncccc4c3[nH]2)c(OC)c1 ZINC000587928795 EI Annotated Anodyne COc1ccc(CCCc2nc3c(C)cnc(Cl)c3[nH]2)c(OC)c1 ZINC000587928799 EI Annotated Anodyne COc1ccc(CCCc2nc3cnc4ccccc4c3[nH]2)c(OC)c1 ZINC000587928835 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(F)cc(F)c3[nH]2)c(OC)c1 ZINC000587928869 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(F)c(F)cc3[nH]2)c(OC)c1 ZINC000587928893 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cnncc4[nH]3)c2C)c(OC)c1 ZINC000587929049 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(C)cc(F)c3[nH]2)c(OC)c1 ZINC000587929102 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc2c1 ZINC000587929203 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2c1 ZINC000587929204 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 ZINC000587929205 EI Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 ZINC000587929206 EI Annotated Anodyne COc1cccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587929465 EI Annotated Anodyne COc1ccc(CCCc2nc3ccc(F)c(F)c3[nH]2)c(OC)c1 ZINC000587929538 EI Annotated Anodyne COc1ccc(CCCc2nc3ccc(F)c(C)c3[nH]2)c(OC)c1 ZINC000587929559 EI Annotated Anodyne C=CCc1cccc2nc(CCCc3ccc(OC)cc3OC)[nH]c12 ZINC000587929591 EI Annotated Mild COc1cccc([C@H](C)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587929596 EI Annotated Anodyne COc1ccc(CCCc2nc3cc(OC)c(C)cc3[nH]2)c(OC)c1 ZINC000587929601 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587929609 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587929855 EI Annotated Bother COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587929856 EI Annotated Bother COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587929857 EI Annotated Bother COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587929858 EI Annotated Bother COc1cccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587929898 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 ZINC000587929900 EI Annotated Bother COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 ZINC000587929906 EI Annotated Bother COc1cccc(CCc2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587929951 EI Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC000587929985 EI Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC000587929988 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587930080 EI Annotated Bother COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587930083 EI Annotated Bother COc1cccc(C2(c3nc4ccnc(Cl)c4[nH]3)CCCC2)c1 ZINC000587930172 EI Annotated Anodyne COc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1OC ZINC000587930226 EI Annotated Anodyne COc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1OC ZINC000587930229 EI Annotated Anodyne COc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1OC ZINC000587930233 EI Annotated Anodyne COc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1OC ZINC000587930234 EI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)cccc2[nH]1 ZINC000587930312 EI Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]1 ZINC000587930342 EI Annotated Anodyne COc1cccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587930402 EI Annotated Anodyne COc1cccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587930459 EI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cccc(C#N)c4[nH]3)c2)c1 ZINC000587930470 EI Annotated Mild COc1cc(O)cc(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2)c1 ZINC000587930606 EI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)c1 ZINC000587930615 EI Annotated Anodyne COc1cccc(C2(c3nc4cc(Cl)cnc4[nH]3)CCCC2)c1 ZINC000587930634 EI Annotated Anodyne COc1cccc(CCc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587930785 EI Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587930813 EI Annotated Anodyne COc1cccc(C2(c3nc4cncc(Cl)c4[nH]3)CCCC2)c1 ZINC000587930821 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cncnc4[nH]3)c2C)c(OC)c1 ZINC000587930827 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cncc(Br)c3[nH]2)c1 ZINC000587930992 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cncc(Br)c3[nH]2)c1 ZINC000587930993 EI Annotated Anodyne COc1cccc(C2(c3nc4c(Cl)ccnc4[nH]3)CCCC2)c1 ZINC000587931025 EI Annotated Anodyne COc1cccc(C2(c3nc4ccc(Cl)nc4[nH]3)CCCC2)c1 ZINC000587931146 EI Annotated Anodyne COc1cccc(CCc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587931153 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587931163 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587931168 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587931221 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587931230 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587931235 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587931237 EI Annotated Anodyne COc1cccc(CCc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587931239 EI Annotated Anodyne COc1cccc(CCc2nc3cccc(Br)c3[nH]2)c1 ZINC000587931305 EI Annotated Anodyne COc1cccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587931308 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587931312 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587931314 EI Annotated Anodyne COc1cccc(CCc2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587931399 EI Annotated Anodyne COc1cccc(C2(c3nc4cc(Cl)ncc4[nH]3)CCCC2)c1 ZINC000587931406 EI Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 ZINC000587931469 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587931721 EI Annotated Bother COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587931729 EI Annotated Bother COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587931730 EI Annotated Bother COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587931731 EI Annotated Bother COc1cccc([C@@H](C)Cc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587931764 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587931767 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587931788 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587931791 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587931794 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587931795 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587931796 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587931797 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587931798 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587931799 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587931890 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587931892 EI Annotated Anodyne COc1cccc(CCc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587931948 EI Annotated Anodyne COc1cccc(CCc2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587932065 EI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2)c1 ZINC000587932085 EI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 ZINC000587932114 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587932232 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587932234 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587932235 EI Annotated Mild COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587932236 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587932237 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587932240 EI Annotated Mild COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587932260 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587932261 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(Br)cnc3[nH]2)c1 ZINC000587932270 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(Br)cnc3[nH]2)c1 ZINC000587932272 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587932282 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587932283 EI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cncc(C)c4[nH]3)c2)c1 ZINC000587932377 EI Annotated Anodyne COc1cccc(C2(c3nc4cc5cn[nH]c5cc4[nH]3)CCCC2)c1 ZINC000587932395 EI Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000587932459 EI Annotated Bother COc1ccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2n1 ZINC000587932566 EI Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587932630 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587932686 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587932687 EI Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587932688 EI Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587932689 EI Annotated Anodyne COc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1F ZINC000587932803 EI Annotated Anodyne COc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1F ZINC000587932806 EI Annotated Anodyne COc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1F ZINC000587932809 EI Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587932810 EI Annotated Anodyne COc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1F ZINC000587932811 EI Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587932812 EI Annotated Anodyne COc1cccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587932879 EI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cccc(O)c4[nH]3)c2)c1 ZINC000587932968 EI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 ZINC000587933001 EI Annotated Anodyne COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CCCC2)c1 ZINC000587933081 EI Annotated Anodyne COc1cccc(C2(c3nc4cccc([N+](=O)[O-])c4[nH]3)CCCC2)c1 ZINC000587933152 EI Annotated Bother COc1cccc(-c2cc(O)cc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 ZINC000587933153 EI Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 ZINC000587933237 EI Annotated Anodyne COc1cccc(C2(c3nc4cc(C#N)c(C#N)cc4[nH]3)CCCC2)c1 ZINC000587933433 EI Annotated Mild COc1ccccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587933439 EI Annotated Anodyne COc1cccc(C2(c3nc4ccc(C(=O)O)cc4[nH]3)CCCC2)c1 ZINC000587933572 EI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cccc(C#N)c4[nH]3)c2)c1 ZINC000587933594 EI Annotated Mild COc1cccc(-c2cc(O)cc(-c3nc4cncc(OC)c4[nH]3)c2)c1 ZINC000587933829 EI Annotated Anodyne COc1cccc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCCC2)c1 ZINC000587933865 EI Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 ZINC000587933913 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587933924 EI Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587933925 EI Annotated Bother COc1ccc2cc([C@@H](C)c3nc4cnc(Cl)[nH]c-4n3)ccc2c1 ZINC000587933941 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587933945 EI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4nc(Cl)c[nH]c-4n3)ccc2c1 ZINC000587933954 EI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cncc([N+](=O)[O-])c4[nH]3)ccc2c1 ZINC000587933991 EI Annotated Bother COc1ccc2cc([C@@H](C)c3nc4ccnc(OC)c4[nH]3)ccc2c1 ZINC000587934012 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587934225 EI Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587934233 EI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(OC)nc4[nH]3)ccc2c1 ZINC000587934244 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccnc(Cl)c2[nH]1 ZINC000587934251 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)ccnc2[nH]1 ZINC000587934297 EI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(OC)ncc4[nH]3)ccc2c1 ZINC000587934300 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587934319 EI Annotated Anodyne COc1ccc(C2(c3nc4ccc(CO)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934500 EI Annotated Anodyne COc1ccc(C2(c3nc4ccnc(OC)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934569 EI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc([N+](=O)[O-])cnc4[nH]3)ccc2c1 ZINC000587934626 EI Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Cl)nc2[nH]1 ZINC000587934691 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000587934733 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000587934735 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000587934743 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000587934744 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000587934745 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000587934746 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587934812 EI Annotated Anodyne COc1ccc(C2(c3nc4ccc(OC)nc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934878 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587935158 EI Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4c(Cl)ncnc4[nH]3)ccc2c1 ZINC000587935237 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000587935336 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000587935338 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000587935339 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000587935341 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587935375 EI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1c(N)cccc1Br ZINC000587935553 EI Annotated Anodyne COc1ccc(C2(c3nc4cc(F)cnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935554 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)cnc2[nH]1 ZINC000587935727 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cncc(Cl)c2[nH]1 ZINC000587935746 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587935761 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587935921 EI Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)ncc2[nH]1 ZINC000587935941 EI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587936075 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 ZINC000587936095 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000587936200 EI Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000587936250 EI Annotated Bother COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000587936259 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000587936260 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000587936262 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000587936263 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(F)c(F)c(F)c3[nH]1)CC2 ZINC000587936288 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(F)c(F)c(F)c3[nH]1)CC2 ZINC000587936294 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000587936388 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000587936395 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000587936397 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000587936398 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(C)cnc(Cl)c3[nH]1)CC2 ZINC000587936512 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(C)cnc(Cl)c3[nH]1)CC2 ZINC000587936515 EI Annotated Anodyne Cc1ccc(C)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936543 EI Annotated Clean COc1ccc(C2(c3nc4cncc(OC)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936595 EI Annotated Anodyne COc1ccc(C2(c3nc4cc(OC)ncc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936669 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(C)nccc3[nH]2)cc1 ZINC000587936811 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(C)nccc3[nH]2)cc1 ZINC000587936813 EI Annotated Anodyne COC(=O)c1cc(-n2c(C)ccc2C)c(Cl)cc1Br ZINC000587936984 EI Annotated Clean Cc1cc(OC(C)(C)C)n(-c2c(N)cccc2Br)c1O ZINC000587937032 EI Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cccc(Br)c1N ZINC000587937076 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)CC2 ZINC000587937079 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)CC2 ZINC000587937082 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(C)nc3[nH]2)cc1 ZINC000587937185 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C)nc3[nH]2)cc1 ZINC000587937186 EI Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587937315 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cncc(OC)c3[nH]2)cc1 ZINC000587937568 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cncc(OC)c3[nH]2)cc1 ZINC000587937569 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(OC)nc3[nH]2)cc1 ZINC000587937625 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc(OC)nc3[nH]2)cc1 ZINC000587937626 EI Annotated Anodyne Cc1cc2c(n1-c1cccc(Br)c1[N+](=O)[O-])CCCC2 ZINC000587937780 EI Annotated Clean Cc1cc(OC(C)(C)C)n(-c2cccc(Br)c2N)c1O ZINC000587937881 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000587937909 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000587937910 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000587937930 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000587937946 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000587937955 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000587937961 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000587937963 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000587937964 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C#N)cc(Cl)c3[nH]1)CC2 ZINC000587937992 EI Annotated Mild COc1ccc2c(c1)C[C@@H](c1nc3cc(C#N)cc(Cl)c3[nH]1)CC2 ZINC000587937996 EI Annotated Mild COc1ccc([C@H](c2ccccc2)c2nc3cc(OC)ncc3[nH]2)cc1 ZINC000587938119 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC)ncc3[nH]2)cc1 ZINC000587938120 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cncc(C)c3[nH]2)cc1 ZINC000587938145 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cncc(C)c3[nH]2)cc1 ZINC000587938146 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587938182 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587938184 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587938185 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587938186 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)CC2 ZINC000587938229 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)CC2 ZINC000587938230 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cccc(O)c3[nH]2)cc1 ZINC000587938390 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cccc(O)c3[nH]2)cc1 ZINC000587938391 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000587938547 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000587938548 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000587938549 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000587938550 EI Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000587938654 EI Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000587938655 EI Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000587938656 EI Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000587938657 EI Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccnc(OC)c3[nH]2)cc1 ZINC000587938716 EI Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccnc(OC)c3[nH]2)cc1 ZINC000587938717 EI Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1O ZINC000587939483 EI Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 ZINC000587939661 EI Annotated Reactive Oc1cc(C2CCCCC2)c(O)n1-c1ccnc(Br)c1 ZINC000587939748 EI Annotated Anodyne COc1cc(C)c(OC)n1-c1cc(Cl)cc(Br)c1 ZINC000587939829 EI Annotated Anodyne Cc1cc2c(n1-c1cc3cnccc3c(Br)n1)CCCC2 ZINC000587940047 EI Annotated Clean Cc1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1 ZINC000587940321 EI Annotated Anodyne Cc1ccc(C)n1-c1cc(Br)cnc1Br ZINC000587940781 EI Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1ccnc(CCl)n1 ZINC000587941093 EI Annotated Reactive Cc1ccccc1-c1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587941613 EI Annotated Anodyne COc1cc(C)c(OC)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941856 EI Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1ccnc(Br)c1 ZINC000587941960 EI Annotated Anodyne CCOc1cc(-n2c(C)cc3c2CCCC3)c(Cl)cc1C(=O)O ZINC000587942081 EI Annotated Clean CCc1ccc(CC)n1-c1cc2cnccc2c(Br)n1 ZINC000587942182 EI Annotated Clean COc1cc(C#N)c(OC)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943098 EI Annotated Mild CCOc1ccc(OCC)n1-c1cc(F)c(Br)cc1F ZINC000587943455 EI Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)ccc1C ZINC000587943475 EI Annotated Clean CC(C)(C)Oc1ccc(O)n1-c1cc(F)c(Br)cc1F ZINC000587943884 EI Annotated Anodyne COc1cc(C#N)c(OC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943972 EI Annotated Mild COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c(C)cc3[nH]1)CC2 ZINC000587944997 EI Annotated Bother COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c(C)cc3[nH]1)CC2 ZINC000587944998 EI Annotated Bother CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(C)ccc2C)n1 ZINC000587945127 EI Annotated Anodyne Cc1cc(-n2c(O)ccc2OC(C)(C)C)nn1Cc1ccccc1F ZINC000587945227 EI Annotated Anodyne Oc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945356 EI Annotated Anodyne Cc1c(C)c(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945571 EI Annotated Anodyne Cc1c(C)c(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945576 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc4ncccc4c3[nH]1)CC2 ZINC000587946113 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc4ncccc4c3[nH]1)CC2 ZINC000587946114 EI Annotated Anodyne COc1c(C)cc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946443 EI Annotated Anodyne COc1c(C)cc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946444 EI Annotated Anodyne COc1ccc(OC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946464 EI Annotated Anodyne COc1ccc(OC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946465 EI Annotated Anodyne COc1cc(C)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946480 EI Annotated Anodyne COc1cc(C)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946481 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(F)cnc(Cl)c3[nH]1)CC2 ZINC000587946931 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(F)cnc(Cl)c3[nH]1)CC2 ZINC000587946932 EI Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cnc4ccccc4c3[nH]1)CC2 ZINC000587947292 EI Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cnc4ccccc4c3[nH]1)CC2 ZINC000587947294 EI Annotated Anodyne Clc1c[nH]c2nc(Cc3ccccc3Oc3ccccc3)nc-2n1 ZINC000587948428 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(Cl)c4[nH]1)(C3)C2 ZINC000587949181 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Cl)cc4[nH]1)(C3)C2 ZINC000587949247 EI Annotated Anodyne OCCc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949273 EI Annotated Anodyne Clc1ncc2nc(Cc3ccccc3Oc3ccccc3)nc-2[nH]1 ZINC000587949360 EI Annotated Anodyne COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cn1 ZINC000587949389 EI Annotated Anodyne COc1cncc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949417 EI Annotated Anodyne OCc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949430 EI Annotated Anodyne COc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 ZINC000587949453 EI Annotated Anodyne Clc1ncnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 ZINC000587949481 EI Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949573 EI Annotated Bother N=c1[nH]ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949605 EI Annotated Anodyne N=c1[nH]ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949606 EI Annotated Anodyne COc1nccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949815 EI Annotated Anodyne COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1F ZINC000587949837 EI Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587949905 EI Annotated Bother Fc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c(F)c1F ZINC000587949966 EI Annotated Anodyne O=[N+]([O-])c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1F ZINC000587950394 EI Annotated Bother C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587950521 EI Annotated Anodyne Oc1ncnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 ZINC000587950550 EI Annotated Anodyne Oc1ncnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 ZINC000587950551 EI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 ZINC000587950647 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 ZINC000587950654 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000587950680 EI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000587950683 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587950831 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587950834 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587950835 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587950836 EI Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cn1 ZINC000587950848 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)ccc(C)c4[nH]1)(C3)C2 ZINC000587950918 EI Annotated Anodyne NC(=O)c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951036 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cc(C)c4[nH]1)(C3)C2 ZINC000587951040 EI Annotated Anodyne COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1C ZINC000587951089 EI Annotated Anodyne Nc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1N ZINC000587951139 EI Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2n1 ZINC000587951195 EI Annotated Anodyne Oc1nncc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951310 EI Annotated Anodyne Oc1nncc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951311 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cc(F)c4[nH]1)(C3)C2 ZINC000587951320 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C)c(C)c4[nH]1)(C3)C2 ZINC000587951387 EI Annotated Anodyne N=c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c[nH]1 ZINC000587951442 EI Annotated Anodyne N=c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c[nH]1 ZINC000587951443 EI Annotated Anodyne COc1cc(OC)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587951484 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)c(C)c4[nH]1)(C3)C2 ZINC000587951494 EI Annotated Anodyne CCc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587951497 EI Annotated Anodyne Brc1nccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 ZINC000587951567 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587951689 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587951690 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587951691 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587951692 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587951713 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(C)cc4[nH]1)(C3)C2 ZINC000587951726 EI Annotated Anodyne COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1OC ZINC000587951731 EI Annotated Anodyne Cc1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1[N+](=O)[O-] ZINC000587951738 EI Annotated Bother Fc1cnc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587951741 EI Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(F)cc4[nH]1)(C3)C2 ZINC000587951748 EI Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587951794 EI Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](C)Oc3ccc4ccccc4c3)nc12 ZINC000587951802 EI Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587951808 EI Annotated Bother CO[C@@H](C)COC1CCC(c2nc3ccc(SC)cc3[nH]2)CC1 ZINC000587951867 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(SC)cc3[nH]2)CC1 ZINC000587951869 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587951939 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587951940 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587951941 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587951942 EI Annotated Anodyne C=CCc1cccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c12 ZINC000587952089 EI Annotated Mild C=CCc1cccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c12 ZINC000587952092 EI Annotated Mild CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587952189 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587952190 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587952191 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587952192 EI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Cl)c(F)cc3[nH]2)CC1 ZINC000587952197 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Cl)c(F)cc3[nH]2)CC1 ZINC000587952198 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587952253 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587952254 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587952255 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587952256 EI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 ZINC000587952281 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 ZINC000587952282 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587952311 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587952312 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587952313 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587952314 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587952361 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587952362 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587952363 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587952364 EI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 ZINC000587952421 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 ZINC000587952422 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(C#N)cc(Cl)c3[nH]2)CC1 ZINC000587952559 EI Annotated Mild CO[C@@H](C)COC1CCC(c2nc3cc(C#N)cc(Cl)c3[nH]2)CC1 ZINC000587952560 EI Annotated Mild CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587952640 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587952641 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587952642 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587952643 EI Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 ZINC000587952976 EI Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 ZINC000587952977 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587952986 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587952987 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587952988 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587952989 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587953014 EI Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587953015 EI Annotated Anodyne Clc1cc(Br)cc2nc(C#Cc3ccccc3)[nH]c12 ZINC000587953025 EI Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(C#Cc3ccccc3)[nH]c2cn1 ZINC000587953050 EI Annotated Mild CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587953054 EI Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587953055 EI Annotated Anodyne CC#Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587953143 EI Annotated Mild Fc1c(Br)cc2nc(C#Cc3ccccc3)[nH]c2c1F ZINC000587953566 EI Annotated Mild Clc1cc(Br)c2[nH]c(C#Cc3ccccc3)nc2c1 ZINC000587953620 EI Annotated Mild Cc1c(Br)cc2nc(C#Cc3ccccc3)[nH]c2c1C ZINC000587953646 EI Annotated Mild C=CCC(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587954151 EI Annotated Mild C=CCC(C)(C)c1nc2cccc(I)c2[nH]1 ZINC000587954208 EI Annotated Mild C=CCC(C)(C)c1nc2ccc(I)cc2[nH]1 ZINC000587954444 EI Annotated Mild Cc1ccccc1C(C)(C)c1nc2cc(Br)ncc2[nH]1 ZINC000587954558 EI Annotated Anodyne Clc1ncnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587954728 EI Annotated Anodyne Clc1ncnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587954732 EI Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2cncc(Br)c2[nH]1 ZINC000587954795 EI Annotated Anodyne Clc1c[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2n1 ZINC000587955018 EI Annotated Anodyne Clc1c[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2n1 ZINC000587955019 EI Annotated Anodyne CCC[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000587955063 EI Annotated Anodyne CCC[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000587955064 EI Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2cc(Br)cnc2[nH]1 ZINC000587955095 EI Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587955171 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587955202 EI Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2c(Br)ccnc2[nH]1 ZINC000587955278 EI Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000587955301 EI Annotated Anodyne CCC[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000587955303 EI Annotated Anodyne Clc1ncc2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000587955626 EI Annotated Anodyne Clc1ncc2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000587955628 EI Annotated Anodyne CCC[C@H](c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000587955699 EI Annotated Anodyne CCC[C@@H](c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000587955700 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587955753 EI Annotated Anodyne COc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587955755 EI Annotated Anodyne COc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587955756 EI Annotated Anodyne Nc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1N ZINC000587955769 EI Annotated Anodyne Nc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1N ZINC000587955770 EI Annotated Anodyne COc1nccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955816 EI Annotated Anodyne COc1nccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955817 EI Annotated Anodyne COc1cncc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955825 EI Annotated Anodyne COc1cncc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955826 EI Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587955842 EI Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955850 EI Annotated Bother O=[N+]([O-])c1cncc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955851 EI Annotated Bother Cc1ccccc1C(C)(C)c1nc2ccc(Br)nc2[nH]1 ZINC000587955985 EI Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2ccnc(Br)c2[nH]1 ZINC000587956008 EI Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587956030 EI Annotated Bother OCc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587956092 EI Annotated Anodyne OCc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587956093 EI Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587956132 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1 ZINC000587956166 EI Annotated Anodyne Cc1ccccc1C(C)(C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587956196 EI Annotated Anodyne OCCc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587956340 EI Annotated Anodyne OCCc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587956341 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587956368 EI Annotated Mild O=[N+]([O-])c1cnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956372 EI Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956373 EI Annotated Bother CC(C)(CC(=O)O)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587956380 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587956386 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587956389 EI Annotated Anodyne COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000587956407 EI Annotated Anodyne COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000587956408 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587956512 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587956632 EI Annotated Anodyne CC#CCCCCCCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587956686 EI Annotated Mild CC#CCCCCCCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587956743 EI Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)CC)nc2c1 ZINC000587956760 EI Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)CC)nc2c1 ZINC000587956761 EI Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cncnc2[nH]1 ZINC000587956834 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587956880 EI Annotated Anodyne CC#CCCCCCCCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587956963 EI Annotated Mild CC#CCCCCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587956975 EI Annotated Mild CC#CCCCCCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587957025 EI Annotated Mild CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587957136 EI Annotated Bother N=c1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c[nH]1 ZINC000587957259 EI Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587957384 EI Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ncc[nH]c-2n1 ZINC000587957577 EI Annotated Anodyne N=c1[nH]ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 ZINC000587957754 EI Annotated Anodyne Nc1ccnc2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 ZINC000587957849 EI Annotated Anodyne Cc1ccc(C)c(Cc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587958438 EI Annotated Anodyne Cc1ccc(C)c(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587958446 EI Annotated Anodyne Cc1ccc(C)c(Cc2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587958447 EI Annotated Mild COC(=O)c1cc2nc(CC3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587958659 EI Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CC3CC3)[nH]c12 ZINC000587958673 EI Annotated Anodyne Oc1nc2cc3nc(Cc4ccccc4-c4ccccc4)[nH]c3cc2[nH]1 ZINC000587958725 EI Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 ZINC000587958734 EI Annotated Bother O=[N+]([O-])c1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 ZINC000587958740 EI Annotated Bother FC(F)(F)Oc1cc2nc(CC3CC3)[nH]c2cc1Br ZINC000587958900 EI Annotated Anodyne Brc1ccc(Br)c2[nH]c(CC3CC3)nc12 ZINC000587958949 EI Annotated Anodyne CC[C@@]1(Cc2nc3cccc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959017 EI Annotated Anodyne CC[C@]1(Cc2nc3cccc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959027 EI Annotated Anodyne Brc1cncc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 ZINC000587959091 EI Annotated Anodyne CC[C@@]1(Cc2nc3cc(Cl)cnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959096 EI Annotated Anodyne CC[C@]1(Cc2nc3cc(Cl)cnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959098 EI Annotated Anodyne CC[C@@]1(Cc2nc3ccnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959106 EI Annotated Anodyne CC[C@]1(Cc2nc3ccnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959107 EI Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2n1 ZINC000587959245 EI Annotated Anodyne Cc1ccc(C)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587959258 EI Annotated Anodyne Oc1c(Br)ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 ZINC000587959272 EI Annotated Anodyne CC[C@@]1(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959302 EI Annotated Bother CC[C@]1(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959304 EI Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(C)ccc3C)nc2c1 ZINC000587959421 EI Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587959440 EI Annotated Anodyne CC[C@@]1(Cc2nc3ccc(C#N)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959461 EI Annotated Mild CC[C@]1(Cc2nc3ccc(C#N)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959464 EI Annotated Mild Brc1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2n1 ZINC000587959482 EI Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 ZINC000587959532 EI Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587959557 EI Annotated Bother Cc1ccccc1-c1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587959591 EI Annotated Bother COC(=O)c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cn1 ZINC000587959680 EI Annotated Anodyne CC[C@@]1(Cc2nc3c(C)nc(C)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959821 EI Annotated Anodyne OCCc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000587959822 EI Annotated Anodyne CC[C@]1(Cc2nc3c(C)nc(C)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959825 EI Annotated Anodyne CC[C@@]1(Cc2nc3c(Cl)ccnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959827 EI Annotated Anodyne CC[C@]1(Cc2nc3c(Cl)ccnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959830 EI Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccccc3-c3ccccc3)nc12 ZINC000587960230 EI Annotated Anodyne Fc1cnc(Br)c2[nH]c(CC3CCCCCC3)nc12 ZINC000587960294 EI Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CC3CC3)nc2c1 ZINC000587960340 EI Annotated Anodyne Fc1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1-n1cccn1 ZINC000587960346 EI Annotated Anodyne Brc1cc2nc(CC3CC3)[nH]c2cc1Br ZINC000587960359 EI Annotated Anodyne CC[C@@]1(Cc2nc3cncc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960380 EI Annotated Anodyne CC[C@]1(Cc2nc3cncc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960381 EI Annotated Anodyne Brc1nccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 ZINC000587960404 EI Annotated Anodyne CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)OCO4)CC(=O)c2ccccc2C1 ZINC000587960446 EI Annotated Anodyne CC[C@]1(Cc2nc3cc4c(cc3[nH]2)OCO4)CC(=O)c2ccccc2C1 ZINC000587960455 EI Annotated Anodyne Fc1cnc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 ZINC000587960470 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587960580 EI Annotated Anodyne C[C@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)CC(=O)O ZINC000587960601 EI Annotated Anodyne CC[C@@]1(Cc2nc3cccc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960663 EI Annotated Anodyne CC[C@]1(Cc2nc3cccc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960666 EI Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000587960905 EI Annotated Anodyne Cc1nc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1Br ZINC000587960906 EI Annotated Anodyne CC1(C)CCC(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 ZINC000587960915 EI Annotated Bother CC[C@@]1(Cc2nc3cc(Cl)ncc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960921 EI Annotated Anodyne CC[C@]1(Cc2nc3cc(Cl)ncc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960923 EI Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CC3CCCCCC3)nc1-2 ZINC000587961020 EI Annotated Anodyne Brc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cn1 ZINC000587961025 EI Annotated Anodyne Brc1cnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000587961066 EI Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587961171 EI Annotated Anodyne CC[C@@]1(Cc2nc3cc4cn[nH]c4cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961243 EI Annotated Anodyne CC[C@]1(Cc2nc3cc4cn[nH]c4cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961260 EI Annotated Anodyne C[C@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)CC(=O)O ZINC000587961352 EI Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587961613 EI Annotated Anodyne CC[C@@]1(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961690 EI Annotated Bother CC[C@]1(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961692 EI Annotated Bother O=[N+]([O-])c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Cl ZINC000587961775 EI Annotated Bother Cc1c(Br)cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1C ZINC000587962030 EI Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1C ZINC000587962035 EI Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1C ZINC000587962038 EI Annotated Anodyne Brc1ccnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 ZINC000587962040 EI Annotated Anodyne Cc1c(Br)cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1C ZINC000587962041 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962052 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962066 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962068 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962070 EI Annotated Anodyne CC[C@@]1(Cc2nc3cccc(C#N)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962230 EI Annotated Mild CC[C@]1(Cc2nc3cccc(C#N)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962233 EI Annotated Mild C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587962319 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587962355 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587962356 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587962357 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587962358 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587962465 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587962467 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587962468 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587962469 EI Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587962540 EI Annotated Anodyne CC[C@@]1(Cc2nc3ccc(Cl)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962708 EI Annotated Anodyne CC[C@]1(Cc2nc3ccc(Cl)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962713 EI Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587962782 EI Annotated Anodyne CCOC(=O)Cc1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 ZINC000587962903 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587962975 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587962978 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587962981 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587962983 EI Annotated Anodyne C[C@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)CC(=O)O ZINC000587963010 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963069 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963073 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963074 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963076 EI Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963249 EI Annotated Anodyne C[C@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)CC(=O)O ZINC000587963453 EI Annotated Anodyne C[C@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)CC(=O)O ZINC000587963578 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587963646 EI Annotated Clean C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587963647 EI Annotated Clean C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587963648 EI Annotated Clean C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587963649 EI Annotated Clean COC(=O)c1cc2[nH]c(CC3CCC(C)(C)CC3)nc2cc1OC ZINC000587963650 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963998 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587963999 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587964000 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587964001 EI Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587964037 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587964095 EI Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587964096 EI Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587964097 EI Annotated Anodyne COC(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1OC ZINC000587964185 EI Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587964612 EI Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587964615 EI Annotated Mild Brc1cnc(Br)c2[nH]c(C=C3CCC3)nc12 ZINC000587964700 EI Annotated Anodyne CCCC/C=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587964885 EI Annotated Anodyne CCCC/C=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587964886 EI Annotated Anodyne CCCC/C=C/c1nc2ccc(I)cc2[nH]1 ZINC000587964971 EI Annotated Anodyne CCCC/C=C\c1nc2ccc(I)cc2[nH]1 ZINC000587964974 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587965430 EI Annotated Mild FC(F)(F)c1ncc2nc(C=C3C4CC5CC(C4)CC3C5)nc-2[nH]1 ZINC000587965431 EI Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587965440 EI Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587965546 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587965548 EI Annotated Mild CCCC/C=C\c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587965552 EI Annotated Anodyne CCCC/C=C/c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587965553 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587965647 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587965649 EI Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C=C3CCC3)nc2c1 ZINC000587965877 EI Annotated Anodyne O=C1CCc2cc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3cc2N1 ZINC000587965983 EI Annotated Anodyne O=C(O)c1cc(F)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 ZINC000587966015 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587966128 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587966129 EI Annotated Mild C/C(=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCCC1 ZINC000587966214 EI Annotated Anodyne C/C(=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCCC1 ZINC000587966217 EI Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587966324 EI Annotated Bother O=[N+]([O-])c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1F ZINC000587966474 EI Annotated Bother C/C(=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C1CCCCC1 ZINC000587966730 EI Annotated Bother C/C(=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C1CCCCC1 ZINC000587966731 EI Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c21 ZINC000587966762 EI Annotated Clean C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587966862 EI Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587966877 EI Annotated Anodyne Fc1c(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1F ZINC000587966878 EI Annotated Anodyne CCCC/C=C\c1nc2cccc(I)c2[nH]1 ZINC000587966950 EI Annotated Anodyne CCCC/C=C/c1nc2cccc(I)c2[nH]1 ZINC000587966951 EI Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CC=CC[C@H]3C)nc2c1 ZINC000587967048 EI Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587967049 EI Annotated Clean COC(=O)c1cc2[nH]c(/C=C(\C)C3CCCCC3)nc2cc1OC ZINC000587967162 EI Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C(/C)C3CCCCC3)nc2cc1OC ZINC000587967163 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587967198 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587967199 EI Annotated Mild FC(F)(F)C(F)(F)c1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cn1 ZINC000587967273 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587967521 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587967523 EI Annotated Mild COC(=O)c1ccc2nc(/C=C(/C)C3CCCCC3)[nH]c2c1OC ZINC000587967564 EI Annotated Anodyne COC(=O)c1ccc2nc(/C=C(\C)C3CCCCC3)[nH]c2c1OC ZINC000587967566 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587967638 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587967639 EI Annotated Mild C[C@@H]1CC=CC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587967713 EI Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587967922 EI Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587967923 EI Annotated Anodyne CC/C(=C\c1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 ZINC000587967971 EI Annotated Anodyne CC/C(=C/c1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 ZINC000587967972 EI Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587968215 EI Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587968332 EI Annotated Bother C[C@@H]1CC=CC[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587968354 EI Annotated Anodyne O=C(O)c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1F ZINC000587968476 EI Annotated Anodyne CC/C(=C\c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587968590 EI Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587968591 EI Annotated Anodyne CN(C)C(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587968615 EI Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C1 ZINC000587968896 EI Annotated Bother CC/C(=C\c1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 ZINC000587968941 EI Annotated Anodyne CC/C(=C/c1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 ZINC000587968943 EI Annotated Anodyne CC/C(=C/c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 ZINC000587968950 EI Annotated Anodyne CC/C(=C\c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 ZINC000587968951 EI Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587969069 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587969071 EI Annotated Mild O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc(C(F)(F)F)c4[nH]1)(C3)C2 ZINC000587969318 EI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Cl)c(F)c(F)c4[nH]1)(C3)C2 ZINC000587969322 EI Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1 ZINC000587969327 EI Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c32)n1 ZINC000587969602 EI Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(C(F)(F)F)cc4[nH]1)(C3)C2 ZINC000587969641 EI Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1OC ZINC000587969688 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000587969864 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000587969915 EI Annotated Anodyne O=C(O)/C=C/C=C/c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000587969953 EI Annotated Anodyne O=C(O)/C=C/C=C\c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000587969954 EI Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3CC[C@@H](C(C)(C)C)C3)nc2cc1OC ZINC000587969990 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000587970331 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccc(F)c(F)c3[nH]2)CC1 ZINC000587970471 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC000587970500 EI Annotated Anodyne COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1F ZINC000587970586 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000587970623 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(Cl)ccnc3[nH]2)CC1 ZINC000587970633 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(F)cc(F)c3[nH]2)CC1 ZINC000587970889 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cncc(Cl)c3[nH]2)CC1 ZINC000587970929 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Cl)ncc3[nH]2)CC1 ZINC000587970931 EI Annotated Anodyne CC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000587971101 EI Annotated Anodyne COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1C ZINC000587971151 EI Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Cl)cnc3[nH]2)CC1 ZINC000587971186 EI Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc12 ZINC000587971228 EI Annotated Anodyne Nc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)-c1ccccc1C2 ZINC000059111541 EI Annotated Anodyne Nc1nc2c(c(Nc3ccc(Cl)cc3F)n1)-c1ccccc1C2 ZINC000059111544 EI Annotated Anodyne O=C(NC(c1ccccc1)c1ccccc1)c1occc(=S)c1O ZINC000059114892 EI Annotated Anodyne O=C1c2ccccc2-n2ccc3c4ccc(Br)cc4nc-3c21 ZINC000059131432 EI Annotated Anodyne O=C1c2ccc(Br)cc2-n2ccc3c4ccccc4nc-3c21 ZINC000059131434 EI Annotated Anodyne COC(=O)[C@H]1CCC2=C(C)C(=O)C[C@H]3[C@@H]4C(C)(C)CC[C@]4(C)C[C@]213 ZINC000059154555 EI Annotated Mild C#C/C=C\C[C@@H]1O[C@H](CC)[C@@H](Br)C/C=C\C[C@@H]1Cl ZINC000059271380 EI Annotated Reactive C#C/C=C/C[C@@H]1O[C@H](CC)[C@@H](Br)C/C=C\C[C@@H]1Cl ZINC000059271382 EI Annotated Reactive COC(=O)[C@@H]1CCC[C@@]23[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[C@@H]3C)c2occc2[C@@H]1C ZINC000059586633 EI Annotated Anodyne in-vitro biogenic COc1cc(O)c(C(=O)CCc2ccc(O)cc2)cc1CC=C(C)C ZINC000059587511 EI Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC/C(=C\C=O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000059587570 EI Annotated Reactive in-vitro biogenic COC(=O)[C@]1(C)CCC[C@]2(C=O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]21 ZINC000059589155 EI Annotated Mild in-vitro biogenic COc1c([C@H]2COc3cc(O)ccc3C2)ccc2c1C=CC(C)(C)O2 ZINC000059729500 EI Annotated Anodyne COc1cc2c(cc1C)[C@H]1C[C@H](O)[C@H](C(C)(C)O)[C@@]1(C)CC[C@@H]2C ZINC000059779227 EI Annotated Anodyne CCCCN1CCCC[C@@H]1[C@@H](O)c1ccnc2ccc(OCC)cc12 ZINC000059796585 EI Annotated Anodyne CC(=O)[C@@H](CCCCCCC(=O)O)CCCC1(O)CCCCC1 ZINC000059902507 EI Annotated Anodyne CC(=O)[C@H](CCCCCCC(=O)O)CCCC1(O)CCCCC1 ZINC000059902510 EI Annotated Anodyne CC[C@H]1O[C@@H]2c3ccsc3CO[C@@H]2[C@H]1OCc1ccccc1F ZINC000059963242 EI Annotated Anodyne CCP(=O)(CC)C(Cl)(Cl)[C@H](O)C(Cl)(Cl)Cl ZINC000006001340 EI Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1SC/C=C/C ZINC000006004094 EI Annotated Mild c1ccc(C2=NN(c3nc4ccccc4s3)C3(CCCCC3)N2)nc1 ZINC000006018086 EI Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)O[P@](=O)(O[C@@H](C#N)c2ccccc2)N1C ZINC000006019300 EI Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC(=O)O1)C2 ZINC000006040401 EI Annotated Anodyne COC(=O)C1=CSC(=C2S[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3S2)S1 ZINC000006041561 EI Annotated Anodyne c1ccc(C/C(=N\Nc2nc3ccccc3o2)c2ccccn2)cc1 ZINC000006041635 EI Annotated Mild BrC(=C\c1ccccc1)/C=N/Nc1nc2ccccc2[nH]1 ZINC000006046649 EI Annotated Mild CCc1ccc(NC(=O)CO/N=C(\C)c2cc3ccccc3o2)cc1 ZINC000006046918 EI Annotated Mild COc1ccc2[nH]c3c(C)c4ccnc(NCCN(C)C)c4cc3c2c1 ZINC000006069487 EI Annotated Bother O=C(c1ccccc1O)c1[nH]c2ccccc2c1Cc1ccccc1O ZINC000006095351 EI Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000006138629 EI Annotated Anodyne CC[C@H]1CCCCN1c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000006138654 EI Annotated Anodyne CN(c1ccc2nc(O)c(Cc3ccccc3)nc2n1)C1CCCCC1 ZINC000006138916 EI Annotated Anodyne CC/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(OC(F)F)cc1 ZINC000006377843 EI Annotated Reactive COC(=O)CCc1ccc2c(c1)C[C@]1(C2)Cc2ccc3c(c2C1)CCC3 ZINC000006379292 EI Annotated Anodyne Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Oc1ccccc1O ZINC000006389767 EI Annotated Anodyne O=C1C=C(NCc2ccc(Cl)cc2Cl)C2(CCCCC2)O1 ZINC000006423769 EI Annotated Anodyne C[C@@H](c1ccccc1)N1O[C@]12CC[C@@]1(C)[C@H](CCCC13OCCO3)C2 ZINC000006437452 EI Annotated Anodyne C=C[C@]1(C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2CC1 ZINC000006442158 EI Annotated Mild N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000006455374 EI Annotated Mild CCc1n[nH]c(=S)n1/N=C/c1ccc(N(C)c2ccccc2)cc1 ZINC000006473889 EI Annotated Mild Fc1cccc(Cl)c1Cc1nn2c(-c3ccccc3)nnc2s1 ZINC000006476066 EI Annotated Anodyne CN1CCC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006482905 EI Annotated Anodyne CN1CCC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000006482910 EI Annotated Anodyne CN1CCC[C@@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006482916 EI Annotated Anodyne COc1nc2cccc([C@@H](O)c3ccccc3)c2nc1-c1ccccc1 ZINC000006483455 EI Annotated Anodyne COc1ncnc2c(Cl)c([C@H](O)c3ccccc3)c(Cl)cc12 ZINC000006483495 EI Annotated Anodyne COc1cc(Cl)cc2c1NC(=O)O[C@@]2(C#CC1CC1)C(F)(F)F ZINC000006483716 EI Annotated Mild COc1cc(Cl)cc2c1NC(=O)O[C@]2(C#CC1CC1)C(F)(F)F ZINC000006483718 EI Annotated Mild CC(C)=CCN1Cc2cc(Cl)cc3nc(O)n(c23)C[C@@H]1C(C)C ZINC000006486995 EI Annotated Anodyne C=C1CC[C@@H]2[C@@]3(C)CCC[C@@]2(C(=O)OC3)[C@@H]1CC(=O)c1ccoc1 ZINC000006491276 EI Annotated Mild in-vitro biogenic Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCC1)O3 ZINC000006494599 EI Annotated Bother CN1CCC2(CC1)C(=O)c1cc(Cl)ccc1Oc1ccccc12 ZINC000060051775 EI Annotated Anodyne O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1cccnc1 ZINC000061710969 EI Annotated Mild Fc1cccc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)c1 ZINC000061711158 EI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 ZINC000061895439 EI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 ZINC000061895440 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000061895765 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000061895766 EI Annotated Anodyne C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 ZINC000061895791 EI Annotated Anodyne C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 ZINC000061895792 EI Annotated Anodyne Cc1noc(C)c1-c1ccc(C(=O)NCc2ccncc2)c2occc12 ZINC000061895873 EI Annotated Anodyne COCCNc1nc(Nc2ccccc2Cl)c2sccc2n1 ZINC000061896256 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 ZINC000061896510 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 ZINC000061896511 EI Annotated Anodyne COc1ccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)cc1OC ZINC000061896611 EI Annotated Anodyne COc1ccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cc1OC ZINC000061896612 EI Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 ZINC000061897056 EI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 ZINC000061897057 EI Annotated Anodyne COc1ccc(-c2c[nH]c([C@@H](O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000061897950 EI Annotated Anodyne COc1ccc(-c2c[nH]c([C@H](O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000061897952 EI Annotated Anodyne COCc1cccc(-c2csc([C@H](N)c3ccc(F)c(F)c3)n2)c1 ZINC000061898051 EI Annotated Anodyne COCc1cccc(-c2csc([C@@H](N)c3ccc(F)c(F)c3)n2)c1 ZINC000061898053 EI Annotated Anodyne COc1ccccc1[C@H](O)c1nc(-c2cccc3ccccc23)c[nH]1 ZINC000061898075 EI Annotated Anodyne COc1ccccc1[C@@H](O)c1nc(-c2cccc3ccccc23)c[nH]1 ZINC000061898077 EI Annotated Anodyne COc1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)c1 ZINC000061898570 EI Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCC=C(C)C)cccn12 ZINC000061898745 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1 ZINC000061898815 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1 ZINC000061898819 EI Annotated Anodyne COc1cccc([C@H](N)c2nc(-c3cc(F)cc(F)c3)cs2)c1 ZINC000061898845 EI Annotated Anodyne COc1cccc([C@@H](N)c2nc(-c3cc(F)cc(F)c3)cs2)c1 ZINC000061898848 EI Annotated Anodyne COc1ccc(-c2csc([C@](C)(O)c3ccccc3)n2)cc1OC ZINC000061902372 EI Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3ccccc3)n2)cc1OC ZINC000061902373 EI Annotated Anodyne COCCNc1nc(Nc2ccc(C)cc2C)c2sccc2n1 ZINC000061902642 EI Annotated Anodyne CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cccs2)cs1 ZINC000061903089 EI Annotated Anodyne CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cccs2)cs1 ZINC000061903090 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)c1 ZINC000061903408 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)c1 ZINC000061903409 EI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)cc1F ZINC000061903524 EI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)cc1F ZINC000061903525 EI Annotated Anodyne COCCNc1nc(-c2ccc(Cl)cc2C)c2sccc2n1 ZINC000061903568 EI Annotated Anodyne CN(C)Cc1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000061903797 EI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1F ZINC000061903861 EI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1F ZINC000061903862 EI Annotated Anodyne CN(C)c1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cc1 ZINC000061903897 EI Annotated Anodyne CN(C)c1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cc1 ZINC000061903898 EI Annotated Anodyne O=C(NCc1cccs1)c1cccc2c(-c3cccnc3)coc12 ZINC000061904010 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 ZINC000061904290 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 ZINC000061904291 EI Annotated Anodyne CC(C)[C@H](N)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061904349 EI Annotated Anodyne CC(C)[C@@H](N)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061904350 EI Annotated Anodyne COc1ccc(-c2csc([C@](C)(O)c3cccc(OC)c3)n2)cc1 ZINC000061904372 EI Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3cccc(OC)c3)n2)cc1 ZINC000061904373 EI Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3ccccc3C)cs2)c1 ZINC000061904413 EI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3ccccc3C)cs2)c1 ZINC000061904414 EI Annotated Anodyne COCc1cccc(-c2csc([C@H](O)c3ccc(OC)cc3)n2)c1 ZINC000061904422 EI Annotated Anodyne COCc1cccc(-c2csc([C@@H](O)c3ccc(OC)cc3)n2)c1 ZINC000061904423 EI Annotated Anodyne COc1ccccc1-c1csc([C@@H](NC(C)=O)c2ccccc2)n1 ZINC000061904442 EI Annotated Anodyne COc1ccccc1-c1csc([C@H](NC(C)=O)c2ccccc2)n1 ZINC000061904443 EI Annotated Anodyne COc1ccc(-c2csc([C@](C)(O)c3ccc(OC)cc3)n2)cc1 ZINC000061904766 EI Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3ccc(OC)cc3)n2)cc1 ZINC000061904767 EI Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 ZINC000061904836 EI Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 ZINC000061904837 EI Annotated Anodyne O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061904846 EI Annotated Anodyne O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061904847 EI Annotated Anodyne O=CNc1cc(-c2cccc(O)c2)cn2c(-c3ccc(F)cc3)cnc12 ZINC000061904890 EI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3ccccc3C)cs2)cc1 ZINC000061905083 EI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3ccccc3C)cs2)cc1 ZINC000061905084 EI Annotated Anodyne CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cccc(F)c2)cs1 ZINC000061905291 EI Annotated Anodyne CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cccc(F)c2)cs1 ZINC000061905292 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3ccc(F)cc3OC)cs2)c1 ZINC000061905322 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3ccc(F)cc3OC)cs2)c1 ZINC000061905323 EI Annotated Anodyne COc1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cc1 ZINC000061905457 EI Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cc1 ZINC000061905458 EI Annotated Anodyne COc1ccc(Cl)cc1C[C@]1(C)C(=O)Nc2c(Cl)cccc21 ZINC000061905465 EI Annotated Anodyne COc1ccc(Cl)cc1C[C@@]1(C)C(=O)Nc2c(Cl)cccc21 ZINC000061905466 EI Annotated Anodyne COc1ccc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)cc1 ZINC000061905666 EI Annotated Anodyne COc1cc([C@H](O)c2nc(-c3cccc(F)c3)cs2)ccc1F ZINC000061905687 EI Annotated Anodyne COc1cc([C@@H](O)c2nc(-c3cccc(F)c3)cs2)ccc1F ZINC000061905688 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000061905703 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000061905704 EI Annotated Anodyne COc1c(C)cc([C@H](O)c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C ZINC000061905859 EI Annotated Anodyne COc1c(C)cc([C@@H](O)c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C ZINC000061905860 EI Annotated Anodyne CSc1ccc(CN2CC[C@](C)(Oc3cccc(C#N)c3)C2)cc1 ZINC000061905866 EI Annotated Mild CSc1ccc(CN2CC[C@@](C)(Oc3cccc(C#N)c3)C2)cc1 ZINC000061905867 EI Annotated Mild CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(-c4ccco4)ccnc3O2)cc1 ZINC000061906026 EI Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2Cc3c(-c4ccco4)ccnc3O2)cc1 ZINC000061906027 EI Annotated Anodyne N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061906059 EI Annotated Anodyne N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061906060 EI Annotated Anodyne C[C@@](O)(c1cccnc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000061906074 EI Annotated Anodyne C[C@](O)(c1cccnc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000061906075 EI Annotated Anodyne C[C@@](O)(c1cccc(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061906218 EI Annotated Anodyne C[C@](O)(c1cccc(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 ZINC000061906219 EI Annotated Anodyne C[C@@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)(F)F)cc21 ZINC000061906228 EI Annotated Anodyne C[C@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)(F)F)cc21 ZINC000061906229 EI Annotated Anodyne COCc1cccc(-c2csc([C@](C)(O)c3ccccc3)n2)c1 ZINC000061906260 EI Annotated Anodyne COCc1cccc(-c2csc([C@@](C)(O)c3ccccc3)n2)c1 ZINC000061906261 EI Annotated Anodyne COCc1cccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)c1 ZINC000061906482 EI Annotated Anodyne COCc1cccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)c1 ZINC000061906483 EI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cccc4cccnc34)cs2)cc1 ZINC000061906618 EI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cccc4cccnc34)cs2)cc1 ZINC000061906619 EI Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3ccccc3OC)cs2)c1 ZINC000061906677 EI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3ccccc3OC)cs2)c1 ZINC000061906678 EI Annotated Anodyne CN(C)c1ccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)cc1 ZINC000061906791 EI Annotated Anodyne CN(C)c1ccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)cc1 ZINC000061906792 EI Annotated Anodyne O[C@H](c1ccc(CN2CCCCC2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000061906986 EI Annotated Anodyne O[C@@H](c1ccc(CN2CCCCC2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000061906987 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000061907030 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000061907031 EI Annotated Anodyne C=CCNc1nc(NCCOC)c2sc(-c3ccccc3)cc2n1 ZINC000061907052 EI Annotated Mild COc1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cc1 ZINC000061907117 EI Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cc1 ZINC000061907118 EI Annotated Anodyne CC(C)C[C@H](N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061907417 EI Annotated Anodyne CC(C)C[C@@H](N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061907418 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 ZINC000061907856 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 ZINC000061907857 EI Annotated Anodyne Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)cc1C ZINC000061907931 EI Annotated Anodyne Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)cc1C ZINC000061907933 EI Annotated Anodyne COc1c(C)cc([C@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1C ZINC000061908267 EI Annotated Anodyne COc1c(C)cc([C@@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1C ZINC000061908269 EI Annotated Anodyne COc1cc([C@@H](O)c2nc(-c3ccccc3C)cs2)ccc1F ZINC000061908486 EI Annotated Anodyne COc1cc([C@H](O)c2nc(-c3ccccc3C)cs2)ccc1F ZINC000061908488 EI Annotated Anodyne O[C@@H](c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000061908715 EI Annotated Anodyne O[C@H](c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000061908716 EI Annotated Anodyne CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2ccccc2C)cs1 ZINC000061908841 EI Annotated Anodyne CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2ccccc2C)cs1 ZINC000061908842 EI Annotated Anodyne C[C@@](O)(c1cccnc1)c1nc(-c2cccc3cccnc23)cs1 ZINC000061908893 EI Annotated Anodyne C[C@](O)(c1cccnc1)c1nc(-c2cccc3cccnc23)cs1 ZINC000061908894 EI Annotated Anodyne COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000061908915 EI Annotated Anodyne COc1cccc(-c2c[nH]c([C@H](O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000061908916 EI Annotated Anodyne CCCCCC(=O)OCc1ccc(C2=CC(=O)CC(C)(C)C2=O)cc1 ZINC000061921086 EI Annotated Mild Cc1ccccc1-c1n[nH]nc1C1=CC(=O)C[C@H](c2ccc(F)cc2)C1 ZINC000061921108 EI Annotated Mild O=C1C=C(c2n[nH]nc2-c2ccccc2)C[C@@H](c2ccc(F)cc2)C1 ZINC000061921132 EI Annotated Mild COc1ccc(OC)c(C2=CC(=O)C[C@H](c3ccc(F)cc3)C2)c1 ZINC000061921139 EI Annotated Mild CCC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000061923283 EI Annotated Anodyne COc1cccc([C@H](O)c2nc(-c3cccc4cccnc34)cs2)c1 ZINC000061925507 EI Annotated Anodyne COc1cccc([C@@H](O)c2nc(-c3cccc4cccnc34)cs2)c1 ZINC000061925508 EI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 ZINC000061925618 EI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 ZINC000061925619 EI Annotated Anodyne COCCCNc1ccn2nc(-c3ccc(CC(C)C)cc3)cc2n1 ZINC000061925642 EI Annotated Anodyne N[C@@H](Cc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 ZINC000061925669 EI Annotated Anodyne N[C@H](Cc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 ZINC000061925670 EI Annotated Anodyne Cc1cc(Cl)ccc1-c1nc(NCCN(C)C)nc2ccsc12 ZINC000061925780 EI Annotated Anodyne N[C@@H](c1csc(Nc2nncc3ccccc23)n1)C1CCCCC1 ZINC000061925783 EI Annotated Anodyne N[C@H](c1csc(Nc2nncc3ccccc23)n1)C1CCCCC1 ZINC000061925784 EI Annotated Anodyne Cc1ccccc1NC(=O)Nc1nc([C@H](N)c2ccccc2)cs1 ZINC000061926086 EI Annotated Anodyne Cc1ccccc1NC(=O)Nc1nc([C@@H](N)c2ccccc2)cs1 ZINC000061926087 EI Annotated Anodyne CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1 ZINC000061926097 EI Annotated Mild CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1 ZINC000061926098 EI Annotated Mild COCc1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061926129 EI Annotated Anodyne COCc1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061926130 EI Annotated Anodyne COc1ccccc1CNc1nc(NC(C)C)nc2ccsc12 ZINC000061926168 EI Annotated Anodyne CCc1ccc2c(c1)NC(=O)[C@@]2(C)Cc1ccc(C(F)(F)F)nc1 ZINC000061926257 EI Annotated Anodyne CCc1ccc2c(c1)NC(=O)[C@]2(C)Cc1ccc(C(F)(F)F)nc1 ZINC000061926258 EI Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCCN1Cc1cc2ccccc2o1 ZINC000061926376 EI Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCCN1Cc1cc2ccccc2o1 ZINC000061926377 EI Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cnc4ccccc4c3)cs2)cc1 ZINC000061926451 EI Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cnc4ccccc4c3)cs2)cc1 ZINC000061926452 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(Cl)cc2C)n1 ZINC000061926477 EI Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(Cl)cc2C)n1 ZINC000061926478 EI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3cccc(F)c3)cs2)cc1 ZINC000061926744 EI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3cccc(F)c3)cs2)cc1 ZINC000061926745 EI Annotated Anodyne COCc1cccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)c1 ZINC000061926761 EI Annotated Anodyne COCc1cccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)c1 ZINC000061926762 EI Annotated Anodyne CC(=O)c1ccc(O[C@]2(C)CCN(Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000061927089 EI Annotated Anodyne CC(=O)c1ccc(O[C@@]2(C)CCN(Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000061927090 EI Annotated Anodyne N[C@@H](c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1 ZINC000061927398 EI Annotated Anodyne N[C@H](c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1 ZINC000061927401 EI Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000061927832 EI Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000061927835 EI Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3cccc(F)c3)cs2)c1 ZINC000061927945 EI Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3cccc(F)c3)cs2)c1 ZINC000061927947 EI Annotated Anodyne CN(C)c1ccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)cc1 ZINC000061928262 EI Annotated Anodyne CN(C)c1ccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cc1 ZINC000061928264 EI Annotated Anodyne C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C#N)c2)cs1 ZINC000061928956 EI Annotated Mild C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(C#N)c2)cs1 ZINC000061928957 EI Annotated Mild CC(=O)Nc1cc(-c2cccnc2)cn2c(-c3ccc(F)cc3)cnc12 ZINC000061929043 EI Annotated Anodyne Cc1noc(C)c1-c1ccc(C(=O)NCc2ccco2)c2occc12 ZINC000061929746 EI Annotated Anodyne CC(=O)Nc1cc(-c2cccc(N)c2)cn2c(-c3ccccc3)cnc12 ZINC000061929836 EI Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 ZINC000061929990 EI Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 ZINC000061929993 EI Annotated Anodyne CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1 ZINC000061930408 EI Annotated Anodyne CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1 ZINC000061930411 EI Annotated Anodyne COc1ccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)cc1 ZINC000061930654 EI Annotated Anodyne COc1ccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)cc1 ZINC000061930656 EI Annotated Anodyne C=CCC1(CC=C)C[C@H](Cc2cnccn2)N(C(=O)OC(C)(C)C)C1 ZINC000061931520 EI Annotated Mild C=CCC1(CC=C)C[C@@H](Cc2cnccn2)N(C(=O)OC(C)(C)C)C1 ZINC000061931522 EI Annotated Mild CCC[C@H]1CC(=O)C=C(c2ccsc2)ON1C(=O)OC(C)(C)C ZINC000061942682 EI Annotated Mild CSCC[C@H]1COC[C@@H](Cc2ccccc2)N1c1ccccc1 ZINC000061947641 EI Annotated Anodyne COC(=O)c1c(-c2ccccc2OC)sc2cc3c(cc12)OCO3 ZINC000061947995 EI Annotated Anodyne COC(=O)c1c(-c2ccc(N(C)C)cc2)sc2ccc(OC)cc12 ZINC000061948076 EI Annotated Anodyne COc1ccc(-c2ccc3c(c2)O/C(=C\c2ccsc2)C3=O)cn1 ZINC000061948097 EI Annotated Mild Nc1cccc(C#Cc2ccc3c(c2)C(=O)/C(=C/c2ccsc2)O3)c1 ZINC000061948108 EI Annotated Mild COc1cccc2sc3cc(C#Cc4ccccn4)ccc3c(=O)c12 ZINC000061969062 EI Annotated Mild NC1(C#Cc2ccc3c(=O)c4ccccc4sc3c2)CCCCC1 ZINC000061969065 EI Annotated Mild Cn1c2ccccc2c(=O)c2ccc(NCCc3cccs3)cc21 ZINC000061969076 EI Annotated Bother C=CCn1c(N=Nc2c(O)[nH]c3ccccc23)nc2ccccc2c1=O ZINC000617960029 EI Annotated Mild O=C(N=Nc1c(O)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2 ZINC000617960128 EI Annotated Clean O=C(COc1cccc(Cl)c1)N=Nc1c(O)[nH]c2ccccc12 ZINC000617960136 EI Annotated Clean Cc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(C)cc(C)cc23)cc1 ZINC000617960150 EI Annotated Clean O=C(COc1ccc(Cl)cc1)N=Nc1c(O)[nH]c2ccccc12 ZINC000617960153 EI Annotated Clean O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccccc2)[nH]n1 ZINC000617960319 EI Annotated Clean CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(Cl)cc1Cl ZINC000617981671 EI Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000617981672 EI Annotated Anodyne C[C@H](Cn1cnc2ccccc21)C(=O)N=Nc1c(O)[nH]c2ccccc12 ZINC000617989179 EI Annotated Clean C[C@@H](Cn1cnc2ccccc21)C(=O)N=Nc1c(O)[nH]c2ccccc12 ZINC000617989180 EI Annotated Clean Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)n[nH]2)cc1 ZINC000617989185 EI Annotated Clean Cc1ccc2[nH]c(O)c(N=NC(=S)Nc3cccc(O)c3)c2c1 ZINC000617989186 EI Annotated Clean O=[N+]([O-])c1ccc(N=Nc2c(O)[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000617995244 EI Annotated Clean CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)cc1 ZINC000618005647 EI Annotated Anodyne N#CCCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618008690 EI Annotated Mild COCCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618009387 EI Annotated Anodyne c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC3(CC2)OCCO3)c1 ZINC000618012388 EI Annotated Anodyne COc1ccccc1-c1cc2c(N=c3cc[nH]cc3C)nccc2[nH]1 ZINC000618012504 EI Annotated Anodyne COc1ccccc1-c1cc2c(N=c3cc[nH]c(C)c3)nccc2[nH]1 ZINC000618012564 EI Annotated Anodyne CC(C)N1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000062178479 EI Annotated Mild CCCN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000062178483 EI Annotated Mild CC(C)CN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000062178528 EI Annotated Mild CC1=C(C#N)[C@](C)(c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000062224646 EI Annotated Reactive O=C(Nc1ccccc1)N1OC[C@H]2CSc3ccc(F)cc3[C@H]21 ZINC000062225384 EI Annotated Anodyne O=C(Nc1ccccc1)N1OC[C@@H]2CSc3ccc(F)cc3[C@H]21 ZINC000062225387 EI Annotated Anodyne O=C(Nc1ccccc1)N1OC[C@@H]2CSc3ccc(F)cc3[C@@H]21 ZINC000062225389 EI Annotated Anodyne O=C1CCn2c(-c3ccc(-c4ccccn4)cc3)nc3cccc1c32 ZINC000062233076 EI Annotated Anodyne Oc1ccccc1CNc1ncccc1-c1ccc(F)c(F)c1F ZINC000621430203 EI Annotated Clean O=C1[C@@H](Nc2ccccc2)c2ccccc2N1Cc1ccccc1O ZINC000621430239 EI Annotated Clean O=C1[C@H](Nc2ccccc2)c2ccccc2N1Cc1ccccc1O ZINC000621430240 EI Annotated Clean Oc1ccccc1CNc1ncccc1-c1ccc2nccnc2c1 ZINC000621430417 EI Annotated Clean Cc1noc(C)c1-c1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 ZINC000621430788 EI Annotated Anodyne Cc1cccc(Cn2ccc(-c3ccc(-c4cccnc4)cc3)n2)n1 ZINC000621430822 EI Annotated Anodyne Cc1c(CCC#N)c(O)n2c(nc3cc(Cl)c(Cl)cc32)c1C#N ZINC000621430832 EI Annotated Mild Cc1c(Cc2ccc(F)cc2F)c(O)n2c(nc3ccccc32)c1C#N ZINC000621430839 EI Annotated Mild O=c1cc(COc2ccccc2)nc2scc(-c3ccccc3)n12 ZINC000621431083 EI Annotated Anodyne COc1ccc(-c2cc(C3=N[C@H](c4ccccc4)CO3)co2)cc1OC ZINC000621431145 EI Annotated Anodyne O=c1cc(NCc2ccccc2)nc2scc(-c3ccccc3)n12 ZINC000621431185 EI Annotated Anodyne Cc1ccc(CNc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000621431236 EI Annotated Anodyne CN(Cc1ccccc1)c1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000621431258 EI Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccc(N(CC)CC)cc3n2c1OC ZINC000621431843 EI Annotated Mild c1ccc2c(c1)N(CCc1nn[nH]n1)c1ccccc1C21CCCCC1 ZINC000621476073 EI Annotated Anodyne C=Cc1cccc(-n2ncc3c(OCCc4ccccc4)ncnc32)c1 ZINC000621477345 EI Annotated Anodyne Cc1cccc(-n2ncc3c(N[C@H]4C[C@H]4c4ccccc4)ncnc32)c1 ZINC000621477844 EI Annotated Anodyne Cc1cccc(-n2ncc3c(N[C@@H]4C[C@@H]4c4ccccc4)ncnc32)c1 ZINC000621477845 EI Annotated Anodyne Cc1cccc(-n2ncc3c(N[C@H]4C[C@@H]4c4ccccc4)ncnc32)c1 ZINC000621477846 EI Annotated Anodyne Cc1cccc(-n2ncc3c(N[C@@H]4C[C@H]4c4ccccc4)ncnc32)c1 ZINC000621477847 EI Annotated Anodyne CCCc1ccc2oc(C(=O)[C@H]3CCC(=O)NC[C@H]3C)c(C)c2c1 ZINC000621485674 EI Annotated Anodyne CCCc1ccc2oc(C(=O)[C@@H]3CCC(=O)NC[C@H]3C)c(C)c2c1 ZINC000621485675 EI Annotated Anodyne CCCc1ccc2oc(C(=O)[C@@H]3CCC(=O)NC[C@@H]3C)c(C)c2c1 ZINC000621485676 EI Annotated Anodyne CCCc1ccc2oc(C(=O)[C@H]3CCC(=O)NC[C@@H]3C)c(C)c2c1 ZINC000621485677 EI Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccc(N)cc2)-c2[nH]c3ccccc3c21 ZINC000621485707 EI Annotated Clean CC1(C)Cc2cnn(-c3ccc(N)cc3)c2-c2[nH]c3ccccc3c21 ZINC000621485901 EI Annotated Clean c1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1 ZINC000063298286 EI Annotated Anodyne Cc1ccc2[nH]cc/c(=N\C(=O)Nc3cccc(C(F)(F)F)n3)c2c1 ZINC000063298413 EI Annotated Anodyne Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1 ZINC000063298547 EI Annotated Anodyne CCOc1ccccc1-c1cccc(-c2n[nH]c3[nH]c(=O)cc(C)c23)c1 ZINC000063539478 EI Annotated Anodyne O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1 ZINC000063540089 EI Annotated Anodyne Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21 ZINC000063540289 EI Annotated Anodyne Cn1c(Cl)cnc1Cc1nc(-c2cc(F)ccc2F)cs1 ZINC000063630842 EI Annotated Anodyne Cn1c(Cl)cnc1Cc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000063630855 EI Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c/c(=N\N=C/c3cccnc3)c2c1 ZINC000064245725 EI Annotated Mild CCCCC#CC#C/C=C/CCCCCC[C@@H](O)C(=O)OC(C)C ZINC000064264680 EI Annotated Mild Cc1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 ZINC000064393089 EI Annotated Bother CCc1ccc(OC(C)=O)c(Cc2cc(CC)ccc2OC(C)=O)c1 ZINC000064415643 EI Annotated Anodyne C=C1C(CCCC)=C(C#N)C(=O)N1c1ccccc1OC(F)(F)F ZINC000064415663 EI Annotated Reactive NNc1ncnc2c1cc(-c1ccc(Cl)cc1)n2-c1ccccc1 ZINC000064436262 EI Annotated Anodyne CN(CCO)c1ccc(/C=C/c2cccc(Br)c2)cc1 ZINC000064436682 EI Annotated Clean Cc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000064437116 EI Annotated Bother C=C1C(C)=C(C#N)C(=O)N1c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000064437827 EI Annotated Reactive CCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 ZINC000064446473 EI Annotated Clean CCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 ZINC000064446475 EI Annotated Clean CC(C)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 ZINC000064446814 EI Annotated Clean CC(C)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 ZINC000064446816 EI Annotated Clean Cc1ccc([C@@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc1 ZINC000064448570 EI Annotated Anodyne Cc1ccc([C@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc1 ZINC000064448571 EI Annotated Anodyne COc1cccc2c(-c3ccc(O)c4c3CC(C)(C)NC4)ccc(O)c12 ZINC000064453847 EI Annotated Clean O=[N+]([O-])c1ccc2[nH]c(-c3nc(-c4ccc(Cl)cc4)no3)cc2c1 ZINC000064491913 EI Annotated Bother O=C(c1ccc(F)cc1)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000064504045 EI Annotated Anodyne C=C1C(C)=C(C(C)=O)C(=O)N1c1cc(Cl)c(Cl)cc1Cl ZINC000064510371 EI Annotated Mild O=C(Oc1cc(F)c(F)cc1F)c1cc2c(cn1)[nH]c1ccccc12 ZINC000064512481 EI Annotated Anodyne Cc1c(Oc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO ZINC000064513126 EI Annotated Anodyne O=C(OCC(Cl)(Cl)Cl)c1cc2c(cn1)[nH]c1ccccc12 ZINC000064513780 EI Annotated Anodyne Cc1c(O)cc(/C=C/C=C/C=C/C=C/c2[nH]ccc2Cl)oc1=O ZINC000064527073 EI Annotated Anodyne CN(c1ccc(OC(F)(F)F)cc1)c1cc(-c2ccncc2)ncn1 ZINC000064527413 EI Annotated Anodyne COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3ccccc3)c12 ZINC000064528077 EI Annotated Anodyne Cc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=S)cc1 ZINC000064540214 EI Annotated Anodyne Cc1nc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n[nH]1 ZINC000064548868 EI Annotated Anodyne COc1cc(OC)c(OC)cc1CC[C@H](O)c1ccc(Cl)cc1 ZINC000064548897 EI Annotated Anodyne COc1cc(OC)c(OC)cc1CC[C@@H](O)c1ccc(Cl)cc1 ZINC000064548898 EI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1cccs1 ZINC000064548948 EI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1cccs1 ZINC000064548949 EI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)C1CCCC1 ZINC000064549141 EI Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)C1CCCC1 ZINC000064549142 EI Annotated Anodyne Cc1cc(C)c2c(c1)[C@@](c1ccc(O)cc1)(c1ccc(F)cc1)C(=O)N2 ZINC000064549154 EI Annotated Anodyne Cc1cc(C)c2c(c1)[C@](c1ccc(O)cc1)(c1ccc(F)cc1)C(=O)N2 ZINC000064549155 EI Annotated Anodyne CCCCC[C@@]1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F ZINC000064549484 EI Annotated Anodyne CCCCC[C@]1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F ZINC000064549485 EI Annotated Anodyne O=C(Nc1cccc(Br)c1)Oc1ccc2c(c1)CCCN2 ZINC000064553920 EI Annotated Anodyne Cc1cc2c(O)c3c(c(O)c2o1)[C@@]1(C)CC[C@H]2C[C@@]2(C)C1=C(O)C3=O ZINC000064559038 EI Annotated Mild Cc1cc2c(O)c3c(c(O)c2o1)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@@H]1CC3=O ZINC000064559156 EI Annotated Anodyne C/C(=N\n1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1 ZINC000064560341 EI Annotated Mild CC[C@@H](C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 ZINC000064573706 EI Annotated Anodyne CC[C@H](C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 ZINC000064573707 EI Annotated Anodyne CC[C@@H](C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 ZINC000064573708 EI Annotated Anodyne CC[C@H](C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 ZINC000064573709 EI Annotated Anodyne COc1ccc2[nH]c(C)c/c(=N/N=C\c3cccc(Cl)c3)c2c1 ZINC000064574051 EI Annotated Mild COc1ccc(/C=N\N=c2/cc[nH]c3ccccc23)c2ccccc12 ZINC000064574067 EI Annotated Mild CC(C)(C)c1ccc(SC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000064581801 EI Annotated Anodyne Cc1c/c(=N\N=C/c2ccccc2)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000064585669 EI Annotated Mild CCOc1ccc2[nH]c(C)c/c(=N\N=C/c3ccccc3Cl)c2c1 ZINC000064599939 EI Annotated Mild CCOc1ccc2/c(=N/N=C\c3cccc(Cl)c3)cc(C)[nH]c2c1 ZINC000064622117 EI Annotated Mild CCN(CC)c1ccc2c(-c3nc4ccccc4n3C)cc(=O)oc2c1 ZINC000064625028 EI Annotated Anodyne in-vitro Oc1c2ccc(cc3ccc([nH]3)c(O)c3ccc(cc4ccc1[nH]4)n3)n2 ZINC000064625111 EI Annotated Bother in-vitro COc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCC1 ZINC000064746277 EI Annotated Anodyne COc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCC1 ZINC000064746279 EI Annotated Anodyne Oc1cc(Nc2c(-c3ncccn3)oc3cnccc23)ccc1Cl ZINC000064746574 EI Annotated Anodyne CN(CCO)c1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000064755265 EI Annotated Clean O=C1c2cc3c(cc2C[C@]12Cc1ccc4c(c1C2=O)CCC4)CCCC3 ZINC000006513291 EI Annotated Anodyne Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)C=C3 ZINC000006521486 EI Annotated Anodyne Cc1ccc(O)c(C2=C[C@H](c3cccc(Cl)c3)SC(N)=N2)c1 ZINC000006522311 EI Annotated Anodyne Cc1ccc(O)c(C2=C[C@@H](c3cccc(Cl)c3)SC(N)=N2)c1 ZINC000006522314 EI Annotated Anodyne Cc1cccc(Cc2nc(SC3CCCCC3)n(C)c(=O)c2C)c1 ZINC000006523082 EI Annotated Anodyne N#Cc1ccc(NC(=N)NC(=N)Cc2c(Cl)cccc2Cl)cc1 ZINC000006524950 EI Annotated Mild N#Cc1ccc(NC(=O)NC(=N)Cc2c(Cl)cccc2Cl)cc1 ZINC000006524951 EI Annotated Mild O=C1Nc2ccc(Cl)c(Cl)c2[C@](C#CC2CC2)(C(F)(F)F)N1 ZINC000006525005 EI Annotated Mild O=C1Nc2ccc(Cl)c(Cl)c2[C@@](C#CC2CC2)(C(F)(F)F)N1 ZINC000006525008 EI Annotated Mild Oc1ccc(Br)cc1-c1cc(Br)ccc1O ZINC000006525065 EI Annotated Anodyne O=[N+]([O-])c1c(Nc2ccc(Cl)c(Cl)c2)ccc2nonc12 ZINC000006526283 EI Annotated Bother COc1ccc(Cl)cc1-c1nc(/C=N/c2cc(C)ccn2)c(O)o1 ZINC000006547708 EI Annotated Mild O=C1Nc2ccc(F)cc2[C@](C#Cc2cccs2)(C(F)(F)F)O1 ZINC000006567157 EI Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2cccs2)(C(F)(F)F)O1 ZINC000006567159 EI Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccsc2)(C(F)(F)F)O1 ZINC000006567497 EI Annotated Mild O=C1Nc2ccc(F)cc2[C@](C#Cc2ccsc2)(C(F)(F)F)O1 ZINC000006567504 EI Annotated Mild N#Cc1ccccc1C#C[C@@]1(C2CC2)NC(=O)Nc2ccc(Cl)cc21 ZINC000006567771 EI Annotated Mild N#Cc1ccccc1C#C[C@]1(C2CC2)NC(=O)Nc2ccc(Cl)cc21 ZINC000006567774 EI Annotated Mild O=c1cc(-c2ccccc2O)oc(O)c1SCc1ccccc1 ZINC000006580409 EI Annotated Anodyne c1ccc(CSc2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000006580980 EI Annotated Anodyne O=C1c2cc(Cl)c(Cl)cc2[C@@]2(c3ccccc3)SCCN12 ZINC000006582013 EI Annotated Anodyne O=C1c2cc(Cl)c(Cl)cc2[C@]2(c3ccccc3)SCCN12 ZINC000006582296 EI Annotated Anodyne Oc1c(Cl)c(Cl)c(O)c(CCNc2nccs2)c1Cl ZINC000006585051 EI Annotated Anodyne CCOc1ccc(/C=N/OCc2ccc(F)cc2Cl)cc1OC ZINC000006625475 EI Annotated Mild CNCCC[C@@H]1Cc2ccccc2N(c2cccc(Cl)c2)C1=O ZINC000006716520 EI Annotated Anodyne O=S(=O)(CC/C(O)=N/c1cccc2c1CCCC2)c1cccs1 ZINC000006725146 EI Annotated Mild Oc1ccccc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1 ZINC000006732865 EI Annotated Anodyne Cc1cc(C)c(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)c(C)c1 ZINC000006748375 EI Annotated Anodyne CCCCN(C)C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000006749248 EI Annotated Anodyne Cc1sc(-n2cccc2CNCc2cccs2)c(C(=O)O)c1C ZINC000006750827 EI Annotated Anodyne Cc1sc(-n2cccc2CNCc2ccccc2)c(C(=O)O)c1C ZINC000006750828 EI Annotated Anodyne N#Cc1cnn2c(NC3CCCC3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000006768574 EI Annotated Mild CSc1cccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c1 ZINC000006772315 EI Annotated Anodyne Cc1nnc2c(Sc3nc4ccccc4s3)nc3ccccc3n12 ZINC000006786281 EI Annotated Anodyne C[C@@H](CCc1ccco1)NC(=O)c1cc2sc(Cl)cc2n1C ZINC000006804706 EI Annotated Anodyne C[C@H](CCc1ccco1)NC(=O)c1cc2sc(Cl)cc2n1C ZINC000006804707 EI Annotated Anodyne Cc1cccc2c1-c1sc(C(=O)N(C)Cc3ccco3)cc1CO2 ZINC000006804811 EI Annotated Anodyne CCc1cc2c(cc(C(=O)OC)n2Cc2cccc(OC)c2)s1 ZINC000006820746 EI Annotated Anodyne CCn1c2ccccc2c2nnc(SCc3ccccc3C#N)nc21 ZINC000006831908 EI Annotated Anodyne COc1ccc(Cl)cc1N(C)C(=O)Cc1noc2ccc(C)cc12 ZINC000006839353 EI Annotated Anodyne Cc1c(Cl)cccc1-n1nc(C)c2c(C(=O)O)cc(C3CC3)nc21 ZINC000006857926 EI Annotated Anodyne O=C(NCCC1=CCCCC1)Nc1noc2c1COc1ccccc1-2 ZINC000006892858 EI Annotated Anodyne Cc1ccc(-c2c(CN3CCC4(CC3)OCCO4)csc2C)cc1 ZINC000006895172 EI Annotated Anodyne Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000006900689 EI Annotated Anodyne Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000006900691 EI Annotated Anodyne Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000006900694 EI Annotated Anodyne Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000006900697 EI Annotated Anodyne Cc1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1 ZINC000006915225 EI Annotated Anodyne CCc1ccccc1NC(=O)C1=C(C)C(=O)OC12CCCCCC2 ZINC000006933559 EI Annotated Anodyne CC[C@@H](C)NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000006950131 EI Annotated Anodyne CC[C@H](C)NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000006950135 EI Annotated Anodyne Clc1ccc(-c2nnc(-c3ccco3)nc2N2CCCCC2)cc1 ZINC000006995565 EI Annotated Anodyne COc1ccc(-c2nnc3ccc(-c4cccc(F)c4)cn23)cc1OC ZINC000653663055 EI Annotated Anodyne CSc1nn2cc(-c3nc4ccc(Cl)cc4s3)nc2s1 ZINC000653664343 EI Annotated Anodyne CCc1nn2cc(-c3nc4ccc(OCC(C)C)cc4o3)nc2s1 ZINC000653667564 EI Annotated Anodyne COc1ccc(-c2nnc3ccc(-c4cccs4)cn23)cc1OC ZINC000653668884 EI Annotated Anodyne Cc1nc(NCCc2ccccn2)cc(-c2ccc3ncsc3c2)n1 ZINC000653668893 EI Annotated Anodyne COc1cc(OC)cc(-c2cn3c(-c4cccs4)cnc3cn2)c1 ZINC000653671229 EI Annotated Anodyne Cc1cc2nc(-c3cn4nc(C(C)(F)F)sc4n3)oc2cc1C ZINC000653672737 EI Annotated Anodyne CCc1nn2cc(-c3nc4ccc(OC5CCC5)cc4o3)nc2s1 ZINC000653672888 EI Annotated Anodyne Oc1cccc(-c2nnc3ccc(-c4cccc5ncccc45)cn23)c1 ZINC000653678272 EI Annotated Anodyne COc1ccc2c(C)c(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653678283 EI Annotated Anodyne Fc1cccc2oc(-c3cn4nc(Br)sc4n3)cc12 ZINC000653679378 EI Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4[nH]ccc4c3)[nH]c2c1-c1ccccc1 ZINC000653680398 EI Annotated Anodyne CSc1nn2cc(-c3nc4c(Cl)cccc4s3)nc2s1 ZINC000653680461 EI Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1ccco1 ZINC000653681809 EI Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1ccco1 ZINC000653681810 EI Annotated Anodyne Fc1ccc2cc(-c3cn4nc(Br)sc4n3)oc2c1 ZINC000653682138 EI Annotated Anodyne COc1ccc(-c2cccc3c2NC(=O)/C3=C\c2[nH]c(C)cc2C)cn1 ZINC000653685014 EI Annotated Anodyne O=c1cc(-c2ccc3occc3c2)[nH]c2c(-c3ccccc3)cnn12 ZINC000653685722 EI Annotated Anodyne CC(C)CC[C@@H](C)N[C@H]1C=C(c2ccc3ncsc3c2)N=CN1C ZINC000653686240 EI Annotated Anodyne CC(C)CC[C@H](C)N[C@H]1C=C(c2ccc3ncsc3c2)N=CN1C ZINC000653686241 EI Annotated Anodyne CC(C)CC[C@@H](C)N[C@@H]1C=C(c2ccc3ncsc3c2)N=CN1C ZINC000653686242 EI Annotated Anodyne CC(C)CC[C@H](C)N[C@@H]1C=C(c2ccc3ncsc3c2)N=CN1C ZINC000653686243 EI Annotated Anodyne CCCCCCn1cnc2c(oc3nc(C(F)(F)F)ccc32)c1=O ZINC000653686876 EI Annotated Anodyne OCc1ccc(-c2cc3c(=Nc4ccccc4)nc[nH]c3s2)cc1 ZINC000653686903 EI Annotated Anodyne COc1cc(-c2nnc3ccc(-c4ccccc4C)cn23)ccc1O ZINC000653686906 EI Annotated Anodyne Cc1nc(-c2cc3ccc(OCC(C)C)cc3[nH]2)sc1C(=O)O ZINC000653690494 EI Annotated Anodyne Cc1nc(-c2cc3cc(OCC(C)C)ccc3[nH]2)sc1C(=O)O ZINC000653690540 EI Annotated Anodyne c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccccc2)cc1 ZINC000653691106 EI Annotated Anodyne CC(C)Oc1ccc(-c2nnc(-c3cncn3C)s2)cc1Cl ZINC000653692078 EI Annotated Anodyne O=C1C=C2C=C(c3ccc4ccccc4c3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000653698667 EI Annotated Anodyne CC1=CSC2=NC(=O)/C(=C/c3ccc(Br)cc3)CCN12 ZINC000653698668 EI Annotated Anodyne Fc1cccc(/C=N/NC(=S)Nc2cccc3ccccc23)c1F ZINC000653699904 EI Annotated Mild CCN(CC)CCC[C@@H](C)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653700791 EI Annotated Anodyne CCN(CC)CCC[C@H](C)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653700792 EI Annotated Anodyne Fc1cccc(F)c1/C=N/NC(=S)Nc1cccc2ccccc12 ZINC000653703192 EI Annotated Mild Fc1ccc(/C=N/NC(=S)Nc2cccc3ccccc23)cc1F ZINC000653703228 EI Annotated Mild CC1=CN2CC/C(=C\c3ccc(Br)cc3)C(=O)N=C2S1 ZINC000653705292 EI Annotated Anodyne Fc1cc(F)cc(/C=N/NC(=S)Nc2cccc3ccccc23)c1 ZINC000653707395 EI Annotated Mild S=C(NCc1cccnc1)SCCc1nc2ccccc2s1 ZINC000653708046 EI Annotated Clean Cc1n[nH]cc1-c1nnc(-c2ccc(OC(C)C)c(Cl)c2)s1 ZINC000653709024 EI Annotated Anodyne CC(C)Oc1ccc(-c2nnc(-c3ccnn3C)s2)cc1Cl ZINC000653709136 EI Annotated Anodyne C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1 ZINC000653716332 EI Annotated Anodyne CONCCCCCCN1c2ccccc2Sc2cccnc21 ZINC000653716962 EI Annotated Anodyne COc1cc(/C=C2/C(=O)c3cccn3[C@H]2c2ccccc2)ccc1O ZINC000653717429 EI Annotated Mild COc1cc(/C=C2/C(=O)c3cccn3[C@@H]2c2ccccc2)ccc1O ZINC000653717430 EI Annotated Mild CC1(C)[C@H]2Cc3c(nc(O)c(C#N)c3-c3ccc(F)c(F)c3)[C@@H]1C2 ZINC000653720685 EI Annotated Mild C=C1CC[C@H]2[C@@](C)(NC(N)=O)CCC[C@]2(C)[C@H]1CC[C@H](C)C/C=N/O ZINC000653721449 EI Annotated Mild CC1(C)[C@H]2Cc3c(nc(N)c(C#N)c3-c3ccc(F)c(F)c3)[C@@H]1C2 ZINC000653723545 EI Annotated Mild COc1ccc(Nc2nccc3nc(-c4ccccc4)cnc23)cc1 ZINC000653724752 EI Annotated Anodyne COc1ccccc1Nc1nccc2nc(-c3ccccc3)cnc12 ZINC000653724812 EI Annotated Anodyne CCCCCCCCCCc1cc2c(=O)n(CCO)cnc2s1 ZINC000653726423 EI Annotated Mild O=[N+]([O-])c1ccc([C@H]2Nc3cccnc3[C@H]3c4ccccc4C[C@@H]23)cc1 ZINC000653726581 EI Annotated Bother Oc1ccc(Br)c2ccc(Sc3ccccn3)nc12 ZINC000653730844 EI Annotated Anodyne O=C(O)[C@H]1CNCC[C@H]1CCCC#Cc1ccccc1-c1ccccc1 ZINC000653735522 EI Annotated Mild O=C(/C=C/c1cccc2c1OCO2)c1cccc(OC(F)(F)F)c1 ZINC000653738051 EI Annotated Mild O=C(/C=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccc2ccccc2c1 ZINC000653739024 EI Annotated Mild CN1CC[C@H](CCC#Cc2ccccc2-c2ccccc2)[C@@H](C(=O)O)C1 ZINC000653739122 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@]12C(=O)C=CC[C@@H]2c1ccc(C)cc1 ZINC000653739246 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@]12C(=O)C=CC[C@H]2c1ccc(C)cc1 ZINC000653739247 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@]12C(=O)C=CC[C@H]2c1cccc(C)c1 ZINC000653740635 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@]12C(=O)C=CC[C@H]2c1cccc(C)c1 ZINC000653740636 EI Annotated Mild Cc1nc(N[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c2nn3ccccc3c2n1 ZINC000653741178 EI Annotated Anodyne COc1cc(OC)cc(-c2nnc(Nc3ccc(C)cc3)s2)c1 ZINC000653741284 EI Annotated Anodyne Cc1nc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c2nn3ccccc3c2n1 ZINC000653744946 EI Annotated Anodyne CC(C)Nc1nc(N[C@@H]2CC[C@@H](C)CC2)c2nn3ccccc3c2n1 ZINC000653744965 EI Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12C(=O)C=CC[C@H]2c1ccc(C)cc1 ZINC000653744972 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@]12C(=O)C=CC[C@@H]2c1ccc(C)cc1 ZINC000653745123 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@]12C(=O)C=CC[C@@H]2c1cccc(C)c1 ZINC000653747403 EI Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@]12C(=O)C=CC[C@@H]2c1cccc(C)c1 ZINC000653747404 EI Annotated Mild Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000653747421 EI Annotated Anodyne COc1ccc(-c2nnc(Nc3ccc(C)cc3)s2)c(OC)c1 ZINC000653747428 EI Annotated Anodyne CC(=O)c1cccc(-c2cnc3cnc(-c4cccc(F)c4)cn23)c1 ZINC000653750418 EI Annotated Anodyne O=C(NCc1cccc2ccccc12)c1coc(-c2ccccc2O)n1 ZINC000653751754 EI Annotated Anodyne CCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21 ZINC000653753011 EI Annotated Bother Nc1cccc(Oc2cc(Oc3cccc4cccnc34)ncn2)c1 ZINC000653753989 EI Annotated Anodyne COc1nc2cc3cccnc3c(Cl)c2nc1Cc1ccccc1 ZINC000653756000 EI Annotated Bother Fc1ccc(-c2ccc3nnc(-c4cscn4)n3c2)cc1Cl ZINC000653756240 EI Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000653757081 EI Annotated Anodyne CCN(CC)c1nc(-c2[nH]c3ccccc3c2C=O)nc2ccccc12 ZINC000653758597 EI Annotated Anodyne COc1cc(OC)c(OC)cc1/C=C(\C#N)c1c[nH]c2ccccc12 ZINC000653759937 EI Annotated Reactive COc1cc(OC)c(/C=C(\C#N)c2c[nH]c3ccccc23)c(OC)c1 ZINC000653759957 EI Annotated Reactive COc1cc(/C=C(\C#N)c2c[nH]c3ccccc23)cc(OC)c1OC ZINC000653759977 EI Annotated Reactive COc1ccc2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 ZINC000653762356 EI Annotated Anodyne CC(C)(C#N)c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)c1 ZINC000653763853 EI Annotated Mild Cn1cc(-c2cnc3cnc(-c4cc5ccccc5s4)cn23)cn1 ZINC000653763873 EI Annotated Anodyne COc1cc(OC)cc(-c2nn[nH]c2-c2cc3ccccc3s2)c1 ZINC000653764323 EI Annotated Anodyne COc1ccc(-c2nn[nH]c2-c2csc3ccccc23)cc1OC ZINC000653764375 EI Annotated Anodyne CCc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1 ZINC000653764974 EI Annotated Anodyne CSc1nn2cc(-c3nc4ccc(OC(C)C)cc4o3)nc2s1 ZINC000653764996 EI Annotated Anodyne CSc1nn2cc(-c3nc4c(OC(C)C)cccc4o3)nc2s1 ZINC000653765002 EI Annotated Anodyne ClC1=C(Cn2cc(-c3ccccc3)nn2)CCOc2ccccc21 ZINC000653767884 EI Annotated Anodyne Fc1cccc2cc(-c3cn4nc(Br)sc4n3)oc12 ZINC000653768974 EI Annotated Anodyne COc1cc(OC)cc(-c2cn3c(-c4ccsc4)cnc3cn2)c1 ZINC000653773181 EI Annotated Anodyne Cc1cc(CN2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000653775563 EI Annotated Anodyne O=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc2ccccc12 ZINC000653780424 EI Annotated Mild O=C1CS[C@H](c2ccccc2Cl)c2cc(Cl)cnc2N1 ZINC000653780461 EI Annotated Anodyne O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)cnc2N1 ZINC000653780462 EI Annotated Anodyne CC(C)Nc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 ZINC000653784805 EI Annotated Anodyne COc1ccc(/C=N/Nc2ccc(-c3ccc(Cl)cc3)nn2)cc1 ZINC000653784951 EI Annotated Mild O=c1oc(-n2c(C(F)(F)F)nc3ccccc32)cc2ccccc12 ZINC000653785871 EI Annotated Anodyne C=C1CCC[C@@]23C4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C=C(NC)C4=O ZINC000653788972 EI Annotated Mild COC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccc(OC)cc2)n1 ZINC000653791926 EI Annotated Anodyne CC/C(C)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12 ZINC000653794372 EI Annotated Mild CCC(CC)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12 ZINC000653794376 EI Annotated Mild CCC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000653794456 EI Annotated Anodyne CCC/C(C)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12 ZINC000653794464 EI Annotated Mild COc1nc2ccccc2cc1/C=C/c1noc(Cc2ccccc2)n1 ZINC000653798273 EI Annotated Anodyne O=C(NC12C[C@H]3CC(F)(C[C@@H](C1)c1ccccc13)C2)N1CCCCC1 ZINC000653798447 EI Annotated Anodyne CC(C)(C)[Si](C)(C)OCCC1=CC[C@H](CO)[C@@]12C=CC(=O)CC2 ZINC000653799465 EI Annotated Reactive O=C1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000653802171 EI Annotated Anodyne CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccccc1 ZINC000653803326 EI Annotated Anodyne O=c1ccc2c3c(cc[n+]2Cc2ccc(Cl)cc2)c2ccccc2n13 ZINC000653806243 EI Annotated Bother O=c1oc2ccccc2cc1OC/C(=N\O)c1ccc2ccccc2c1 ZINC000653808154 EI Annotated Mild COc1ccc(C)c(N(C(C)=O)c2cn(C(C)=O)c3ccccc23)c1 ZINC000653818632 EI Annotated Anodyne COc1ccc(-c2nc3cc4cccnc4c(Cl)c3[nH]2)c(OC)c1 ZINC000653818664 EI Annotated Anodyne FC(F)(F)Oc1ccc(-c2ccc3nc(C(F)(F)F)nn3c2)cc1 ZINC000653821651 EI Annotated Anodyne N=C(N)c1ccc(NN=Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000653823840 EI Annotated Mild CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccc(OCC)cc1 ZINC000653823862 EI Annotated Anodyne Oc1cc(C(F)(F)F)nc(SCCCCc2ccccc2)n1 ZINC000653825432 EI Annotated Anodyne N=C(N)c1ccc(NN=Nc2cccc(C#Cc3ccccc3)c2)cc1 ZINC000653827660 EI Annotated Mild C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CC2CN(C)C2)cc1O ZINC000653831412 EI Annotated Mild Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2F)s1 ZINC000653834531 EI Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(F)cc2)s1 ZINC000653834566 EI Annotated Anodyne CCCCCCSc1nc(O)cc(OCCCCCCCO)n1 ZINC000653838774 EI Annotated Anodyne FC(F)(F)Oc1ccc(-c2ccn3ncc(C(F)(F)F)c3n2)cc1 ZINC000653838806 EI Annotated Anodyne O=C(NCCc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1 ZINC000653844339 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C)[C@@](C)(O)CCC[C@@]23c2c(O)ccc(O)c2C[C@@]13C ZINC000653845390 EI Annotated Anodyne CO[C@@H]1OC[C@@]2(C)CCC[C@@]13[C@H]2CC[C@@]12C[C@H](CC[C@H]13)[C@](C)(O)C2 ZINC000653846600 EI Annotated Anodyne COc1ccc(Cc2c(SC)c3cnccn3c2SC)cc1 ZINC000653847549 EI Annotated Anodyne CCCCC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC ZINC000653850835 EI Annotated Anodyne C/C=C/CC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC ZINC000653851003 EI Annotated Anodyne CO[C@@H]1OC[C@@]23CCC[C@@]1(C)[C@@H]2CC[C@@]12C[C@@H](CC[C@H]13)[C@](C)(O)C2 ZINC000653851009 EI Annotated Anodyne COc1cc2c(c(OC)c1OC)C/C(=C\c1cccc3[nH]ccc13)C2=O ZINC000653858653 EI Annotated Mild CCCC[n+]1cn(CCOc2ccccc2OCC)c2ccccc21 ZINC000653858784 EI Annotated Anodyne Oc1ccc(-c2[nH]nc(NCc3ccco3)c2-c2ccc(O)cc2)cc1 ZINC000653859648 EI Annotated Anodyne CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1c(C)cccc1C ZINC000653861161 EI Annotated Mild Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C ZINC000653862704 EI Annotated Anodyne Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@H]32)cc1 ZINC000653862717 EI Annotated Anodyne Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000653862720 EI Annotated Anodyne Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000653862722 EI Annotated Anodyne Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000653862725 EI Annotated Anodyne Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)O2 ZINC000653865383 EI Annotated Anodyne Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)O2 ZINC000653865384 EI Annotated Anodyne Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)O2 ZINC000653865385 EI Annotated Anodyne Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)O2 ZINC000653865386 EI Annotated Anodyne Cc1c(C(C)(C)[C@@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653866640 EI Annotated Mild Cc1c(C(C)(C)[C@H](O)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653866641 EI Annotated Mild Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@H]32)c1 ZINC000653869233 EI Annotated Anodyne Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@H]32)c1 ZINC000653869234 EI Annotated Anodyne Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@@H]32)c1 ZINC000653869235 EI Annotated Anodyne Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@@H]32)c1 ZINC000653869236 EI Annotated Anodyne Cc1c([C@](O)(C2CCC2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653869522 EI Annotated Mild Cc1c([C@@](O)(C2CCC2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653869523 EI Annotated Mild Cc1c([C@](O)(C(C)C)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653869540 EI Annotated Mild Cc1c([C@@](O)(C(C)C)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653869541 EI Annotated Mild CN(c1ccc2nc(O)sc2c1)c1nc(-c2ccccn2)cs1 ZINC000653872960 EI Annotated Anodyne Cc1c([C@@](O)(c2ccco2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653876526 EI Annotated Mild Cc1c([C@](O)(c2ccco2)C(F)(F)F)ccc(C#N)c1C(F)(F)F ZINC000653876531 EI Annotated Mild O[C@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000653876669 EI Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000653876670 EI Annotated Mild Cc1nc(-c2cccnc2)sc1-c1nnc(Cc2ccccc2)o1 ZINC000653887043 EI Annotated Anodyne COC(=O)c1ccc(/C=C/CN(C)Cc2cccc3ccoc23)cc1 ZINC000653887628 EI Annotated Anodyne Cc1c([C@@](O)(C#CC(C)(C)C)C(F)(F)F)ccc(C#N)c1Cl ZINC000653887797 EI Annotated Mild Cc1c([C@](O)(C#CC(C)(C)C)C(F)(F)F)ccc(C#N)c1Cl ZINC000653887798 EI Annotated Mild CN(C)c1ccc(/C=C2\COc3cc(Cl)cc(Cl)c3C2=O)cn1 ZINC000653888019 EI Annotated Mild CC(C)(C)c1ccc(C2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 ZINC000653890267 EI Annotated Anodyne COC(=O)[C@]12CC[C@@]3(C)CC=C(CO)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C ZINC000653893488 EI Annotated Anodyne N#C/C=C\CCCCN1C(=O)CN=C(c2ccccc2)c2ccccc21 ZINC000653894793 EI Annotated Reactive CCn1cc(-c2csc(N)n2)c(=O)c2cc(Cl)cc(Cl)c21 ZINC000653895754 EI Annotated Anodyne C[C@@H](c1ccccc1)n1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1 ZINC000653900911 EI Annotated Anodyne C[C@@H]1CC(=O)Nc2cccc(-c3cnn([C@H](C)c4ccccc4)c3)c2N1 ZINC000653900912 EI Annotated Anodyne N#Cc1c(/N=C/c2c[nH]c3cccc([N+](=O)[O-])c23)sc2c1CCC2 ZINC000653915947 EI Annotated Mild COc1ccc(/C=C(\C#N)c2ccc3c(c2)OCO3)c(Cl)c1OC ZINC000653918467 EI Annotated Reactive Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1 ZINC000066058913 EI Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccccc3F)nc21 ZINC000066065909 EI Annotated Clean CC[C@@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000066065960 EI Annotated Anodyne C[C@@H](c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C ZINC000066065976 EI Annotated Anodyne C[C@H](c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C ZINC000066065977 EI Annotated Anodyne CN1CCN(CC2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1 ZINC000066066010 EI Annotated Anodyne CCCn1ccc2cc(-c3cnc(OC)c(F)c3)cc(Cl)c2c1=O ZINC000066066157 EI Annotated Anodyne O=C1C=C(c2ccc3c(c2)Sc2ccccc2S3)C(=O)C=C1O ZINC000066066168 EI Annotated Mild CCN(CC)c1ccc2c(-c3ccc(F)cc3)c(C#N)c(=O)oc2c1 ZINC000066066494 EI Annotated Mild CSc1ccc(OCc2nc(Br)c(Cl)n2C)cc1 ZINC000066073751 EI Annotated Anodyne CSc1ccc(OCc2nc(Cl)c(Br)n2C)cc1 ZINC000066073752 EI Annotated Anodyne C=C(CCC1CCCCC1)[C@@H](O)Cc1c(O)cc(C)c(C=O)c1O ZINC000066073822 EI Annotated Mild C=C(CCC1CCCCC1)[C@H](O)Cc1c(O)cc(C)c(C=O)c1O ZINC000066073823 EI Annotated Mild Clc1cccc(CO[C@H]2CCc3ccccc3[C@@H]2n2ccnn2)c1 ZINC000066073842 EI Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000066073916 EI Annotated Anodyne O=C1c2ccc(C#Cc3ccccc3)cc2CCN1Cc1ccccc1 ZINC000066073976 EI Annotated Mild CC(C)=CCOc1cc2oc(C)cc(=O)c2c(O)c1OCC=C(C)C ZINC000066074048 EI Annotated Anodyne CN(C)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21 ZINC000066074080 EI Annotated Bother CC[C@@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000066074257 EI Annotated Anodyne Cc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12 ZINC000066074451 EI Annotated Anodyne Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1 ZINC000066074537 EI Annotated Anodyne COc1cc2c(cc1OC)-c1nc(Nc3ccc(C)cn3)sc1C2 ZINC000066075462 EI Annotated Anodyne CCCn1ccc2cc(OCCc3cccnc3)cc(Cl)c2c1=O ZINC000066076560 EI Annotated Anodyne COC(=O)c1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 ZINC000066076703 EI Annotated Anodyne COC(=O)c1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 ZINC000066076705 EI Annotated Anodyne CCNC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 ZINC000066077002 EI Annotated Anodyne Cc1ccccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000066078439 EI Annotated Clean CC[C@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000066078443 EI Annotated Anodyne CC(C)=CCC/C(C)=C/COCc1cn(-c2cccc(O)c2)nn1 ZINC000066078523 EI Annotated Anodyne CC(C)=CCC/C(C)=C/COCc1cn(-c2ccc(O)cc2)nn1 ZINC000066078525 EI Annotated Anodyne Cc1cccc(C2=NN=C(c3ccc(Br)cc3)C2)c1O ZINC000066080394 EI Annotated Clean CC[C@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000066097922 EI Annotated Anodyne CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(=O)O ZINC000066098530 EI Annotated Anodyne COc1cc(CC/C=N/O)cc2cc(-c3ccc4c(c3)OCO4)oc12 ZINC000066098579 EI Annotated Mild COc1cccc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)c1 ZINC000066099169 EI Annotated Anodyne CCCCN(C)c1cc(Br)cc(Br)c1O ZINC000066100024 EI Annotated Anodyne Nc1nccc2cc(CNCCc3ccc(Cl)c(Cl)c3)ccc12 ZINC000066100853 EI Annotated Anodyne Clc1nc2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000066104753 EI Annotated Anodyne O=C1Nc2ccccc2[C@@]12O[C@@H](COc1ccccc1)CC1=C2CCC1 ZINC000066104973 EI Annotated Anodyne O=C1Nc2ccccc2[C@]12O[C@H](COc1ccccc1)CC1=C2CCC1 ZINC000066104976 EI Annotated Anodyne O=C1Nc2ccccc2[C@]12O[C@@H](COc1ccccc1)CC1=C2CCC1 ZINC000066104977 EI Annotated Anodyne NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000066112174 EI Annotated Anodyne COc1ccccc1-n1cc(COC/C=C(\C)CCC=C(C)C)nn1 ZINC000066112433 EI Annotated Anodyne Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1 ZINC000066112440 EI Annotated Anodyne O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc12 ZINC000066112501 EI Annotated Bother Oc1ccc(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000066113996 EI Annotated Anodyne Oc1cc(C(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000066122772 EI Annotated Anodyne Fc1ccc([C@H]2CCNC/C2=N/OCc2ccccc2Cl)cc1 ZINC000066122876 EI Annotated Mild Fc1ccc([C@@H]2CCNC/C2=N/OCc2ccccc2Cl)cc1 ZINC000066122878 EI Annotated Mild COc1ccc([C@@]23Cc4ccccc4[C@@H](O2)C2=C(CCCC2=O)O3)cc1 ZINC000066123740 EI Annotated Mild Fc1ccc([C@H]2CCNC/C2=N\OCc2ccccc2Cl)cc1 ZINC000066124445 EI Annotated Mild Fc1ccc([C@@H]2CCNC/C2=N\OCc2ccccc2Cl)cc1 ZINC000066124447 EI Annotated Mild CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1ccccc12 ZINC000066136464 EI Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1ccccc12 ZINC000066136465 EI Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000066136466 EI Annotated Anodyne C=C(CO[C@@H]1C=C[C@H](c2ccccc2)O[C@@H]1COC)c1ccccc1 ZINC000066139159 EI Annotated Mild C=C(CO[C@@H]1C=C[C@H](c2ccccc2)O[C@H]1COC)c1ccccc1 ZINC000066139163 EI Annotated Anodyne C=C(CO[C@H]1C=C[C@H](c2ccccc2)O[C@@H]1COC)c1ccccc1 ZINC000066139164 EI Annotated Mild C=C(CO[C@H]1C=C[C@H](c2ccccc2)O[C@H]1COC)c1ccccc1 ZINC000066139167 EI Annotated Mild Cc1cc(-c2c(Cl)cccc2OCCCC(F)(F)F)nc(N)n1 ZINC000066156457 EI Annotated Anodyne O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCc2cccnc21 ZINC000066157115 EI Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC ZINC000066165811 EI Annotated Anodyne CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2c1ncn2C ZINC000066258505 EI Annotated Anodyne C/C=C(/C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@@H](C)CC=C2 ZINC000066259866 EI Annotated Anodyne CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(C)nc21 ZINC000066263470 EI Annotated Anodyne Clc1ccccc1-c1nc(CN2CCC[C@H]2CN2CCCC2)co1 ZINC000066536159 EI Annotated Anodyne Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(C(C)C)[nH]n2)CC1 ZINC000067588620 EI Annotated Anodyne CC[C@@](COCc1ccc(OC)c(OC)c1)(c1cccs1)N(C)C ZINC000067854454 EI Annotated Anodyne CC[C@](COCc1ccc(OC)c(OC)c1)(c1cccs1)N(C)C ZINC000067854456 EI Annotated Anodyne CCOC(=O)/C(=C\CC(=O)c1ccccc1)Sc1ccccc1 ZINC000067924379 EI Annotated Anodyne Cc1ncccc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000068204811 EI Annotated Anodyne COc1cc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)ccn1 ZINC000068205245 EI Annotated Anodyne Cc1nc(-c2ccc3c(c2)c(C#N)cn3C(C)C)sc1C(=O)O ZINC000068245423 EI Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)CNCC2[C@H](c2ccccc2)C3)cc1 ZINC000068266834 EI Annotated Anodyne CSc1ccc(N2C(=N)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000069061587 EI Annotated Anodyne Cc1ccc(N2C(=N)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000069061605 EI Annotated Anodyne COc1ccc(N2C(=N)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000069061625 EI Annotated Anodyne CC(=O)OC[C@]1(CCc2ccoc2)[C@H](C)CC[C@@H]2C(C)=CC(=O)C[C@H]21 ZINC000069482054 EI Annotated Mild in-vitro biogenic CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)C1CCCC1 ZINC000007001572 EI Annotated Anodyne CC/C(=N/Nc1ccccc1Cl)c1cnnc(-c2ccccc2)n1 ZINC000007043693 EI Annotated Mild C=C(O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C)/C(C)=C\C ZINC000070451167 EI Annotated Anodyne in-vitro biogenic COc1ccc2c(c1OC)CN(C)c1c-2ccc2cc3c(cc12)CCO3 ZINC000070451191 EI Annotated Anodyne in-vitro biogenic CC(C)=C(C=O)CC[C@H]1C(=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O ZINC000070451221 EI Annotated Reactive in-vitro biogenic C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@H](C(=O)O)C3 ZINC000070454065 EI Annotated Anodyne in-vitro biogenic CC1(C)O[C@@H]1CC/C=C/COc1cc(=O)oc2cc3occc3cc12 ZINC000070454995 EI Annotated Anodyne in-vitro biogenic CC1(C)OCC(OC(=O)Nc2cccc(-c3ccccc3)c2)CO1 ZINC000070463150 EI Annotated Anodyne Cc1ccccc1C1CCN(C2=CC(=O)c3ccccc3C2=O)CC1 ZINC000071282204 EI Annotated Mild COC(=O)c1cc(C(=O)c2ccccc2)n2ccc3ccccc3c12 ZINC000071282399 EI Annotated Anodyne COC(=O)c1cc2ccc3ccccc3n2c1C(=O)c1ccccc1 ZINC000071294623 EI Annotated Anodyne Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1 ZINC000071295225 EI Annotated Anodyne CC[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1 ZINC000071295724 EI Annotated Anodyne COc1ccc2cc[n+](CCc3ccc(Cl)cc3)cc2c1OC ZINC000071295774 EI Annotated Anodyne O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccccc1Cl ZINC000071295864 EI Annotated Mild Fc1ccc(Cc2nn3cc(-c4ccc(F)cc4)nc3s2)cc1 ZINC000071296113 EI Annotated Anodyne c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc[nH]3)CO2)cc1 ZINC000071296651 EI Annotated Anodyne C/C=C/[C@H]1CC=CC[C@@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 ZINC000071296743 EI Annotated Reactive COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(C)O[C@@H]13 ZINC000071296818 EI Annotated Anodyne Cc1ccc2c(c1)[nH]c1c2sc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000071315760 EI Annotated Bother COc1cccc(/C=C/c2c(C#N)c(=O)oc3ccc(Cl)cc23)c1 ZINC000071315999 EI Annotated Mild Clc1cccc(CO[C@@H](CCn2cncn2)c2cccs2)c1 ZINC000071317133 EI Annotated Anodyne Clc1cccc(CO[C@H](CCn2cncn2)c2cccs2)c1 ZINC000071317134 EI Annotated Anodyne CCn1c2ccncc2c2cc(C(=O)c3ccc(OC)cc3)ccc21 ZINC000071317368 EI Annotated Anodyne CC(C)=CC(=O)c1oc2c(Cl)c(Cl)c(O)c(C#N)c2c1N ZINC000071318061 EI Annotated Mild CCn1ccc2cc(-c3cnc(N)nc3-c3cc(F)ccc3O)ccc21 ZINC000071318346 EI Annotated Anodyne CCn1c2ccncc2c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000071318862 EI Annotated Bother COc1ccccc1/C=C/c1c(C#N)c(=O)oc2ccc(Cl)cc12 ZINC000071318866 EI Annotated Mild CC1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 ZINC000071329475 EI Annotated Anodyne COc1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)ccc1O ZINC000071329679 EI Annotated Anodyne COc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12 ZINC000071332404 EI Annotated Anodyne CC(C)(Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1 ZINC000071333619 EI Annotated Anodyne C[C@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1 ZINC000071334191 EI Annotated Anodyne Cc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCCC2)C3=O)c1 ZINC000071334959 EI Annotated Mild Cc1ccccc1C#Cc1ccc2c(n1)CCN(C1CCCCC1)C2=O ZINC000071335070 EI Annotated Mild C[C@@H](Oc1ccc(C(F)(F)F)cc1-c1cccc(C#N)c1)C(=O)O ZINC000071335425 EI Annotated Mild C[C@@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1 ZINC000071340286 EI Annotated Anodyne CCN(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000071340442 EI Annotated Anodyne CN(C)c1ccc(NC(=S)Nc2ccnc3c(F)cccc23)cc1 ZINC000071340756 EI Annotated Anodyne CCCCCN1C(=O)[C@@]2(CCc3cc4c(cc32)OCO4)c2ccccc21 ZINC000071341200 EI Annotated Anodyne CCCCCN1C(=O)[C@]2(CCc3cc4c(cc32)OCO4)c2ccccc21 ZINC000071341201 EI Annotated Anodyne CN(C)CCn1cc2c([N+](=O)[O-])ccc3sc4ccccc4c1c32 ZINC000071341501 EI Annotated Bother CCN(CC)CCOc1ccc2c3c(nccc13)-c1ccccc1C2=O ZINC000071341519 EI Annotated Anodyne O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 ZINC000071341714 EI Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000071404379 EI Annotated Anodyne CCOc1cccc(-c2nc(CN(C)c3ccc(OC)cc3)co2)c1 ZINC000072100846 EI Annotated Clean CN(/C(=N\O)c1ccc(Oc2ccc(F)cc2)nc1)C1CCCCC1 ZINC000072100863 EI Annotated Mild CN1CCC(N(C)Cc2coc(-c3cccc4ccccc34)n2)CC1 ZINC000072101001 EI Annotated Anodyne Cc1ccc(Oc2ncccc2/C(=N/O)NCc2ccccc2)cc1 ZINC000072101035 EI Annotated Mild CCCCc1ccc(-c2nc(CNCC(C)(C)CN(C)C)co2)cc1 ZINC000072101049 EI Annotated Anodyne CC1CCN(/C(=N\O)c2ccnc(Oc3ccc(F)c(F)c3)c2)CC1 ZINC000072101051 EI Annotated Mild CCOc1ccccc1CNCc1coc(-c2ccc(F)cc2)n1 ZINC000072101147 EI Annotated Anodyne CCN(CCNCc1coc(-c2cccs2)n1)c1cccc(C)c1 ZINC000072101280 EI Annotated Anodyne CC(C)CN/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1 ZINC000072101534 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCCC2)cc1 ZINC000072101554 EI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H]2C)c(Oc2cccc(C(C)C)c2)n1 ZINC000072101589 EI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@H]2C)c(Oc2cccc(C(C)C)c2)n1 ZINC000072101590 EI Annotated Mild CCC(CC)N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072101605 EI Annotated Mild Cc1ccc(/C(=N/O)NC2CCC2)c(Oc2ccc(Cl)cc2)n1 ZINC000072101709 EI Annotated Mild O/N=C(/c1ccnc(Oc2ccc(F)c(F)c2)c1)N1CCCCCC1 ZINC000072101721 EI Annotated Mild Oc1ccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)cc1 ZINC000072101738 EI Annotated Anodyne Cc1ccc(/C(=N/O)N2C[C@@H]2C)c(Oc2cccc3ccccc23)n1 ZINC000072101779 EI Annotated Mild Cc1ccc(/C(=N/O)N2C[C@H]2C)c(Oc2cccc3ccccc23)n1 ZINC000072101780 EI Annotated Mild O/N=C(\NC1CCC1)c1ccc(Oc2ccc3ccccc3c2)nc1 ZINC000072101837 EI Annotated Mild C[C@@H]1CCCN1/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072101840 EI Annotated Mild C[C@H]1CCCN1/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072101841 EI Annotated Mild Cc1cn(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)c(C)n1 ZINC000072101938 EI Annotated Anodyne C[C@@H]1CCCN1/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 ZINC000072101941 EI Annotated Mild C[C@H]1CCCN1/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 ZINC000072101942 EI Annotated Mild Cn1nc(C(C)(C)C)cc1NCc1coc(-c2ccccc2F)n1 ZINC000072102061 EI Annotated Anodyne Cc1ccc(Oc2ncccc2/C(=N/O)NC2CCCCC2)cc1 ZINC000072102131 EI Annotated Mild CCOc1cccc(-c2nc(CNc3ccc(N(C)C)cc3)co2)c1 ZINC000072102133 EI Annotated Anodyne Cc1cc(C)cc(Oc2ccc(/C(=N/O)NCc3ccco3)cn2)c1 ZINC000072102134 EI Annotated Mild C[C@H]1C=C[C@@H](C)N1/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072102174 EI Annotated Mild C[C@H]1C=C[C@H](C)N1/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072102175 EI Annotated Mild C[C@@H]1C=C[C@@H](C)N1/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072102176 EI Annotated Mild Cc1cc(C)cc(CN/C(=N\O)c2cccnc2OCC(C)(C)C)c1 ZINC000072102247 EI Annotated Mild O/N=C(/c1ccnc(Oc2ccc(F)c(Cl)c2)c1)N1CCCCC1 ZINC000072102248 EI Annotated Mild CCc1nc(C)cn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072102250 EI Annotated Anodyne N#CCCN(Cc1ccccc1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000072102404 EI Annotated Mild CCc1ccc(Oc2ncccc2/C(=N/O)NCc2ccccc2)cc1 ZINC000072102483 EI Annotated Mild Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2cccc(C(C)C)c2)n1 ZINC000072102490 EI Annotated Mild Cn1nc(C(C)(C)C)cc1NCc1coc(-c2cccc(F)c2)n1 ZINC000072102676 EI Annotated Anodyne Cc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 ZINC000072102714 EI Annotated Anodyne Cc1ccc(/C(=N/O)N2CCC(C)CC2)c(Oc2cccc(F)c2)n1 ZINC000072102856 EI Annotated Mild Cc1ccc(/C(=N/O)NCC(C)C)c(Oc2ccc(Cl)cc2)n1 ZINC000072102863 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)NC3CCCC3)cn2)c1 ZINC000072102873 EI Annotated Mild O/N=C(/c1ccnc(Oc2cccc(F)c2)c1)N1CCCCCC1 ZINC000072102884 EI Annotated Mild CCc1nc(C)cn1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072102893 EI Annotated Anodyne Cc1ccc(/C(=N/O)N2[C@@H](C)CC[C@H]2C)c(Oc2cccc(F)c2)n1 ZINC000072103007 EI Annotated Mild Cc1ccc(/C(=N/O)N2[C@@H](C)CC[C@@H]2C)c(Oc2cccc(F)c2)n1 ZINC000072103008 EI Annotated Mild Cc1ccc(/C(=N/O)N2[C@H](C)CC[C@H]2C)c(Oc2cccc(F)c2)n1 ZINC000072103009 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCC2)c(C)c1 ZINC000072103031 EI Annotated Mild O/N=C(\NC1CCCCC1)c1ccnc(Oc2ccc(F)c(F)c2)c1 ZINC000072103115 EI Annotated Mild CCN(CC)CCC[C@@H](C)NCc1coc(-c2ccc(F)cc2)n1 ZINC000072103116 EI Annotated Anodyne CCN(CC)CCC[C@H](C)NCc1coc(-c2ccc(F)cc2)n1 ZINC000072103117 EI Annotated Anodyne CCOc1cccc(-c2nc(CNCCc3ccc(C)cc3)co2)c1 ZINC000072103122 EI Annotated Anodyne CCOc1ccccc1-c1nc(CN(C)CCc2ccccc2)co1 ZINC000072103129 EI Annotated Anodyne CN(CCCNCc1coc(-c2cccc(F)c2)n1)c1ccccc1 ZINC000072103262 EI Annotated Anodyne O/N=C(/NC1CCCCC1)c1cccnc1Oc1ccccc1F ZINC000072103271 EI Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)N2CC=CCC2)c2c1CCC2 ZINC000072103296 EI Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCC2)cc1 ZINC000072103394 EI Annotated Mild CCC(C)(C)N/C(=N\O)c1ccc(C)nc1Oc1ccc(F)c(F)c1 ZINC000072103398 EI Annotated Mild Oc1ccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc1 ZINC000072103462 EI Annotated Anodyne O/N=C(\NC1CCC1)c1cccnc1Oc1ccc2c(c1)CCCC2 ZINC000072103501 EI Annotated Mild CCc1ccc(Oc2ncccc2/C(=N/O)N2CCCCCC2)cc1 ZINC000072103591 EI Annotated Mild CCCN/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1 ZINC000072103656 EI Annotated Mild Cc1ccccc1-c1nc(CNCCCN(C)c2ccccc2)co1 ZINC000072103714 EI Annotated Anodyne Cc1ccccc1-c1nc(CN(CCN(C)C)Cc2ccccc2)co1 ZINC000072103799 EI Annotated Anodyne CC(C)(C)COc1ncccc1/C(=N/O)N1CCCc2ccccc21 ZINC000072103804 EI Annotated Mild O/N=C(\NCc1cccs1)c1ccc(Oc2cccc(F)c2)nc1 ZINC000072103827 EI Annotated Mild CCN(Cc1coc(-c2ccc(C)cc2)n1)c1ccc2c(c1)OCO2 ZINC000072103885 EI Annotated Clean CN1CCC[C@@H]1CCn1ccc2cc(NC(=N)c3ccco3)ccc21 ZINC000072105269 EI Annotated Anodyne CN1CCC[C@H](n2ccc3cc(NC(=N)c4ccco4)ccc32)CC1 ZINC000072106005 EI Annotated Anodyne N[C@H]1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O ZINC000072106333 EI Annotated Anodyne N[C@@H]1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O ZINC000072106334 EI Annotated Anodyne COc1cc2cc[n+](CCc3cccc(Cl)c3)cc2cc1OC ZINC000072106553 EI Annotated Anodyne O=C1c2ccccc2C(=Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000072106668 EI Annotated Mild Fc1cccc(F)c1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000072107013 EI Annotated Anodyne Fc1cccc(F)c1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000072107014 EI Annotated Anodyne Fc1cccc(F)c1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000072107015 EI Annotated Anodyne Fc1cccc(F)c1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000072107016 EI Annotated Anodyne CCS(=O)(=O)c1ccc2c(c1)nc(C1(C)CCCC1)n2CC1CC1 ZINC000072107663 EI Annotated Anodyne NC(=O)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 ZINC000072107881 EI Annotated Anodyne Nc1nnc2cc(-c3c(O)ccc4ccccc34)c3ccccc3c2n1 ZINC000072110863 EI Annotated Bother CCCCCCCCNc1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1 ZINC000072111479 EI Annotated Mild O=c1c2c([nH]c3ccc(-c4ccc(F)cc4F)cc13)CCSC2 ZINC000072112018 EI Annotated Anodyne C=CCn1c(-c2cc3c(cc2C=C)OCO3)cc2ccccc2c1=O ZINC000072112036 EI Annotated Mild CN(C(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(F)c(F)c1F ZINC000072112327 EI Annotated Anodyne C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1 ZINC000072112598 EI Annotated Mild COc1ccc([C@@H](CC(=O)c2ccccc2)SCCC(=O)O)cc1 ZINC000072113084 EI Annotated Anodyne COc1ccc([C@H](CC(=O)c2ccccc2)SCCC(=O)O)cc1 ZINC000072113085 EI Annotated Anodyne COc1cc2c(ccn2-c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000072113143 EI Annotated Anodyne O=[N+]([O-])c1cc(O)c2cc(-c3ccc(Br)cc3)[nH]c2c1 ZINC000072113155 EI Annotated Bother CO[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CC[C@]1(C)O ZINC000072113239 EI Annotated Anodyne Oc1ccccc1[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 ZINC000072113292 EI Annotated Clean Oc1ccccc1[C@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 ZINC000072113293 EI Annotated Clean COc1cc(-c2cnn(Cc3ccccc3)c2)ccc1-n1cnc(C)c1 ZINC000072113348 EI Annotated Anodyne Cc1cccc(Nc2nc(-c3ccncc3C#CCCCO)cs2)c1 ZINC000072113365 EI Annotated Mild Cc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCCCC3)cc2c1=O ZINC000072113541 EI Annotated Anodyne C=CCc1cc(NC(C)=O)c(O)c(-c2ccc(OC)c(CC=C)c2)c1 ZINC000072113756 EI Annotated Mild COc1cc2c(ccn2-c2ccnc3ccccc23)c(OC)c1OC ZINC000072114163 EI Annotated Anodyne Cc1cc(-c2ccccc2)nc(Nc2ccc3oc(=O)ccc3c2)n1 ZINC000072114539 EI Annotated Anodyne C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@@H]1C2(C)C ZINC000072114616 EI Annotated Anodyne C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@@H]1C2(C)C ZINC000072114617 EI Annotated Anodyne CC1(C)[C@H]2CC[C@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@@H]1C2 ZINC000072114618 EI Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@@H]1C2 ZINC000072114619 EI Annotated Anodyne O=C(Nc1ccc(F)c(F)c1F)OC1C2CC3CC(C2)CC1C3 ZINC000072114700 EI Annotated Anodyne CC[C@H](c1nc(SC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F ZINC000072114835 EI Annotated Anodyne CC[C@@H](c1nc(SC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F ZINC000072114836 EI Annotated Anodyne COC(=O)c1ccc2oc(=S)n(C(=O)CCc3ccccc3)c2c1 ZINC000072114851 EI Annotated Anodyne Fc1ccc(NC(=S)NC2C3CC4CC(C3)CC2C4)c(F)c1F ZINC000072114871 EI Annotated Anodyne COc1cc2c(ccn2-c2cccc3ncccc23)c(OC)c1OC ZINC000072114902 EI Annotated Anodyne Cc1csc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 ZINC000072116320 EI Annotated Anodyne N#Cc1c2ccccc2cn1CCCNC12CC3CC(CC(C3)C1)C2 ZINC000072117038 EI Annotated Mild Cc1cccc(Cn2c([C@H](C)N)nc3cc(C(F)(F)F)ccc32)c1 ZINC000072117092 EI Annotated Anodyne CC(C)(C)n1ccnc1/N=C(\N)Nc1ccc(Cl)c(Cl)c1 ZINC000072118055 EI Annotated Mild O=C1OCC(Nc2cc(Cl)cc(Cl)c2)=C1c1ccc(O)cc1 ZINC000072118456 EI Annotated Anodyne C[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 ZINC000072118901 EI Annotated Anodyne Cc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc1 ZINC000072119631 EI Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](OC)c1cc(F)ccc1Br ZINC000072120047 EI Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](OC)c1cc(F)ccc1Br ZINC000072120048 EI Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@@H](OC)c1cc(F)ccc1Br ZINC000072120049 EI Annotated Anodyne Cc1cc(C)c(Nc2ccc(=O)n(Nc3cccc(C#N)c3)c2)c(C)c1 ZINC000072120632 EI Annotated Mild Cc1cc(C)c(Nc2ccc(=O)n(Nc3ccc(C#N)cc3)c2)c(C)c1 ZINC000072121305 EI Annotated Mild COc1ccc(/C=C(\C#N)n2nnc3cc(Cl)c(Cl)cc32)cc1 ZINC000072122653 EI Annotated Reactive CSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 ZINC000072123072 EI Annotated Anodyne CCO[P@@](=O)(NC(C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC000072123378 EI Annotated Bother CCO[P@](=O)(NC(C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC000072123379 EI Annotated Bother CCO[P@@](=O)(NCC(C)C)Oc1ccc(C(F)(F)F)cc1 ZINC000072124357 EI Annotated Anodyne CCO[P@](=O)(NCC(C)C)Oc1ccc(C(F)(F)F)cc1 ZINC000072124358 EI Annotated Anodyne CCO[P@](=O)(NC(C)C)Oc1ccc(C)cc1Br ZINC000072124379 EI Annotated Anodyne CCCCCN[P@@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000072124533 EI Annotated Bother CCCCCN[P@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000072124534 EI Annotated Bother Fc1cc(F)c(CSc2ccc(-c3ccccn3)nn2)c(F)c1 ZINC000072124554 EI Annotated Anodyne C[C@H](Oc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl ZINC000072124813 EI Annotated Anodyne C[C@@H](Oc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl ZINC000072124814 EI Annotated Anodyne Cc1cc(S(=O)(=O)NCC(C)C)c2c(C)ccc(C(C)C)cc1-2 ZINC000072125924 EI Annotated Anodyne O=C(O)CSc1ncnc2cc(-c3ccc(Cl)s3)sc12 ZINC000072126223 EI Annotated Anodyne CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc([N+](=O)[O-])cc1 ZINC000072127513 EI Annotated Bother CC(C)(C)N1C(=O)C2=C(c3ccccc3)Nc3ccccc3CN2C1=O ZINC000072134148 EI Annotated Anodyne CC(C)CN1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 ZINC000072136130 EI Annotated Anodyne COc1cc2oc(=O)cc(CN3CCCCCCC3)c2cc1Cl ZINC000072138210 EI Annotated Anodyne CCCCN1C(=O)C2=C(c3ccccc3)Nc3ccccc3CN2C1=O ZINC000072138408 EI Annotated Anodyne CCCN/C(=N\O)c1ccc(C)nc1Oc1ccc(SC)c(C)c1 ZINC000072139617 EI Annotated Mild C[C@@H]1CCCC[C@@H]1OC[C@H](O)Cn1c2c(c3c1CCCC3)CCCC2 ZINC000072139643 EI Annotated Anodyne C[C@@H]1CCCC[C@H]1OC[C@H](O)Cn1c2c(c3c1CCCC3)CCCC2 ZINC000072139645 EI Annotated Anodyne CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(F)cc2)O1 ZINC000072140773 EI Annotated Anodyne CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(F)cc2)O1 ZINC000072140774 EI Annotated Anodyne CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(F)cc2)O1 ZINC000072140775 EI Annotated Anodyne CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(F)cc2)O1 ZINC000072140776 EI Annotated Anodyne Cc1ccc(Oc2ccc(/C(=N/O)N3CCCCC3)cn2)c(C)c1 ZINC000072141011 EI Annotated Mild Cc1cccc(-c2nc(Cn3cc(CCN)c4ccccc43)co2)c1 ZINC000072141135 EI Annotated Anodyne CCC(CC)N/C(=N\O)c1ccc(Oc2ccc(C)cc2C)nc1 ZINC000072141210 EI Annotated Mild COc1cc2c(ccn2-c2ccc3ncccc3c2)c(OC)c1OC ZINC000072141479 EI Annotated Anodyne Cc1cccc(Oc2nc(C)ccc2/C(=N/O)NCC(C)(C)C)c1 ZINC000072141513 EI Annotated Mild CCCCN(CCC#N)Cc1coc(-c2cccc(OCC)c2)n1 ZINC000072142264 EI Annotated Mild Cc1ccccc1-c1nc(Cn2cc(Cl)c(=O)c(Cl)c2)co1 ZINC000072142426 EI Annotated Anodyne Cc1ccc(CNCc2coc(-c3ccc(Br)cc3)n2)o1 ZINC000072142530 EI Annotated Anodyne CN1CCC[C@H](n2ccc3ccc(NC(=N)c4ccco4)cc32)CC1 ZINC000072142550 EI Annotated Anodyne COc1cc2c(ccn2-c2cccc3c2ccn3C)c(OC)c1OC ZINC000072142685 EI Annotated Anodyne COc1cc2c3c(c4cccc(O)c4c2cc1OC)C[C@@H]1CCCN1C3 ZINC000072142776 EI Annotated Bother Cc1oc(-c2ccccc2C#N)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072142834 EI Annotated Mild FC(F)(F)c1ccc(-c2cn3nc(OCC4CC4)ccc3n2)cc1 ZINC000072170718 EI Annotated Anodyne O=C(CCc1ccccc1)[C@@H]1Cc2c(ccc3ccccc23)OC1=O ZINC000072171008 EI Annotated Anodyne O=C(CCc1ccccc1)[C@H]1Cc2c(ccc3ccccc23)OC1=O ZINC000072171009 EI Annotated Anodyne CCOc1ccc([C@@H]2CCC3=C(O2)c2ccccc2C(=O)C3=O)cc1 ZINC000072171909 EI Annotated Mild CCOc1ccc([C@H]2CCC3=C(O2)c2ccccc2C(=O)C3=O)cc1 ZINC000072171910 EI Annotated Mild O/N=C(\NC1CCCC1)c1ccnc(Oc2ccc(Cl)cc2)c1 ZINC000072174962 EI Annotated Mild Clc1ccc(-c2cn3nc(OCC4CC4)ccc3n2)c(Cl)c1 ZINC000072175002 EI Annotated Anodyne COc1cc(CNc2cc3c(cn2)[nH]c2ccccc23)cc(OC)c1 ZINC000072175178 EI Annotated Anodyne Nc1nc(Cc2ccco2)c2c(n1)/C(=C/Cc1ccco1)CCCC2 ZINC000072175241 EI Annotated Anodyne CSc1nn(-c2ccc(F)cc2)c2cc(C3=CCNCC3)ccc12 ZINC000072175380 EI Annotated Anodyne COc1cc(O)c2cc(-c3cc(OC)c(C)c(OC)c3C)oc2c1 ZINC000072176196 EI Annotated Anodyne CCOc1ccc(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)cn1 ZINC000072176347 EI Annotated Anodyne COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)c(OC)c1 ZINC000072176777 EI Annotated Anodyne COc1ccc(OC)c(CNc2cc3c(cn2)[nH]c2ccccc23)c1 ZINC000072176778 EI Annotated Anodyne COc1cccc(OC)c1CNc1cc2c(cn1)[nH]c1ccccc12 ZINC000072176779 EI Annotated Anodyne COc1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1OC ZINC000072176876 EI Annotated Anodyne Cc1cc(C)cc(N/N=C2\C(=O)Oc3ccc4ccccc4c3C2=O)c1 ZINC000072176984 EI Annotated Mild Cc1cccc(N/N=C2\C(=O)Oc3ccc4ccccc4c3C2=O)c1C ZINC000072177089 EI Annotated Mild O=C1/C(=N/Nc2ccccc2)C(O)=Nc2c1ccc(Cl)c2Cl ZINC000072177702 EI Annotated Mild CSc1nn(-c2cccc(C)c2)c2cc(C3=CCNCC3)ccc12 ZINC000072178275 EI Annotated Anodyne CSc1nn(-c2ccc(C)cc2)c2cc(C3=CCNCC3)ccc12 ZINC000072178276 EI Annotated Anodyne C=C(N(C)Cc1ccc(-c2ccccc2)cc1)N1CCN(C(C)C)CC1 ZINC000072178678 EI Annotated Anodyne COC(=O)c1nc(-c2ccc3ccccc3c2)n(-c2ccc(F)cc2)n1 ZINC000072178725 EI Annotated Anodyne Cc1oc(-c2cccc(O)c2)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072178802 EI Annotated Anodyne O=C(OCN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000072178805 EI Annotated Anodyne Cc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 ZINC000072178816 EI Annotated Clean Cc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 ZINC000072178817 EI Annotated Clean Cc1oc(-c2ccccc2O)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072178884 EI Annotated Anodyne CSc1nn(-c2cccc(F)c2)c2cc(C3=CCNCC3)ccc12 ZINC000072179651 EI Annotated Anodyne Oc1ccc2ccccc2c1[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000072179773 EI Annotated Clean Oc1ccc2ccccc2c1[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000072179774 EI Annotated Clean C[C@@H]1CCCN1/C(=N\O)c1cccnc1Oc1ccccc1Cl ZINC000072180132 EI Annotated Mild C[C@H]1CCCN1/C(=N\O)c1cccnc1Oc1ccccc1Cl ZINC000072180133 EI Annotated Mild O/N=C(\NC1CCCC1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072180174 EI Annotated Mild CN(CCc1ccccn1)Cc1coc(-c2ccccc2Cl)n1 ZINC000072180211 EI Annotated Anodyne CCN(CCN(C)C)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072180322 EI Annotated Anodyne CCC(C)(C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1 ZINC000072180399 EI Annotated Mild Clc1ccc(-c2nc(CNCc3ccncc3)co2)c(Cl)c1 ZINC000072180422 EI Annotated Anodyne Cc1cc(C)cc(Oc2ccc(/C(=N/O)NCC(C)(C)C)cn2)c1 ZINC000072180568 EI Annotated Mild CCN(Cc1coc(-c2ccccc2C)n1)c1ccc2c(c1)OCO2 ZINC000072180578 EI Annotated Clean COc1cccc(-c2nc(CN[C@@H](C)CCc3ccccc3)co2)c1 ZINC000072180634 EI Annotated Anodyne COc1cccc(-c2nc(CN[C@H](C)CCc3ccccc3)co2)c1 ZINC000072180635 EI Annotated Anodyne CCC(CC)N/C(=N\O)c1cccnc1Oc1c(F)cccc1F ZINC000072180660 EI Annotated Mild CCC(CC)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 ZINC000072180765 EI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)N3C[C@@H]3C)cn2)cc(C(C)C)c1 ZINC000072180767 EI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)N3C[C@H]3C)cn2)cc(C(C)C)c1 ZINC000072180768 EI Annotated Mild Cc1ccc(/C(=N/O)NCC2CC2)c(Oc2cccc(C(C)C)c2)n1 ZINC000072181064 EI Annotated Mild C[C@H]1C[C@@H](C)CN(/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000072181263 EI Annotated Mild C[C@H]1C[C@H](C)CN(/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000072181264 EI Annotated Mild C[C@@H]1C[C@@H](C)CN(/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000072181265 EI Annotated Mild CCCN(CC1CC1)/C(=N\O)c1cccnc1Oc1ccccc1F ZINC000072181283 EI Annotated Mild Cc1ccc(/C(N)=N/O)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072181338 EI Annotated Mild Cc1ccc(/C(=N/O)NC2CC2)c(Oc2ccc3ccccc3c2)n1 ZINC000072181459 EI Annotated Mild CC1CCC(N/C(=N\O)c2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000072181652 EI Annotated Mild C[C@H]1[C@@H](NCc2coc(-c3ccc(O)cc3)n2)C[C@@H]2C[C@H]1C2(C)C ZINC000072181704 EI Annotated Anodyne C[C@H]1[C@H](NCc2coc(-c3ccc(O)cc3)n2)C[C@@H]2C[C@H]1C2(C)C ZINC000072181705 EI Annotated Anodyne Cc1oc(-c2cccc(C#N)c2)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072181740 EI Annotated Mild c1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1 ZINC000072181767 EI Annotated Anodyne Cc1ccc(/C(=N/O)n2ccnc2C)c(Oc2ccc(Cl)cc2)n1 ZINC000072181821 EI Annotated Mild Cc1cccc(Oc2ccc(/C(=N/O)NCC3CCCCC3)cn2)c1 ZINC000072181910 EI Annotated Mild CC(C)COc1ncccc1/C(=N/O)Nc1ccc(C(C)C)cc1 ZINC000072181922 EI Annotated Mild CCOc1ccccc1CNCc1coc(-c2ccc(OC)cc2)n1 ZINC000072182015 EI Annotated Anodyne CCN(Cc1ccncc1)Cc1coc(-c2ccccc2Cl)n1 ZINC000072182123 EI Annotated Anodyne Cc1cn(/C(=N\O)c2cccnc2Oc2ccc(C(C)C)cc2)cn1 ZINC000072182171 EI Annotated Mild O/N=C(\NCc1ccco1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072182221 EI Annotated Mild COc1ccc(-c2nc(CN[C@@H](C)CCc3ccccc3)co2)cc1 ZINC000072182268 EI Annotated Anodyne COc1ccc(-c2nc(CN[C@H](C)CCc3ccccc3)co2)cc1 ZINC000072182269 EI Annotated Anodyne Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CCC2)c(C)c1 ZINC000072182282 EI Annotated Mild CCN(/C(=N\O)c1ccnc(Oc2ccc(F)c(F)c2)c1)C(C)C ZINC000072182306 EI Annotated Mild Cc1ccc(/C(=N/O)NCC(C)(C)C)c(Oc2cccc(F)c2)n1 ZINC000072182366 EI Annotated Mild CCc1ccc(Oc2ccc(/C(=N/O)NC(CC)CC)cn2)cc1 ZINC000072182457 EI Annotated Mild C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C[C@@H](C)O1 ZINC000072182584 EI Annotated Anodyne C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C[C@H](C)O1 ZINC000072182585 EI Annotated Anodyne C[C@@H]1CN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C[C@@H](C)O1 ZINC000072182586 EI Annotated Anodyne Cc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1 ZINC000072182683 EI Annotated Anodyne Cc1cc(Oc2ccc(/C(=N/O)N3CC=CC3)cn2)cc(C(C)C)c1 ZINC000072182718 EI Annotated Mild Cc1cccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)c1 ZINC000072182725 EI Annotated Anodyne Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC(C)C)c(C)c1 ZINC000072182760 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCCC2)c(C)c1 ZINC000072182790 EI Annotated Mild CSc1ccccc1Oc1ncccc1/C(=N/O)NC1CCCC1 ZINC000072182832 EI Annotated Mild Cc1ccccc1-c1nc(Cn2nc(N)cc2-c2ccccc2)co1 ZINC000072182858 EI Annotated Anodyne Cc1cn(Cc2coc(-c3ccc(O)cc3)n2)c(-c2ccccc2)n1 ZINC000072182940 EI Annotated Anodyne Cc1ccc(Oc2ccc(/C(=N/O)NC3CCCC3)cn2)c(C)c1 ZINC000072182943 EI Annotated Mild CCCCN(CCCC)CCCNCc1coc(-c2ccco2)n1 ZINC000072182960 EI Annotated Anodyne CCC(C)(C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 ZINC000072182969 EI Annotated Mild CCc1nc(C)cn1Cc1coc(-c2ccccc2Br)n1 ZINC000072182970 EI Annotated Anodyne Cc1ccc(CNCc2coc(-c3ccccc3Br)n2)o1 ZINC000072182973 EI Annotated Anodyne CCOc1ccccc1CNCc1coc(-c2cccc(F)c2)n1 ZINC000072183004 EI Annotated Anodyne CN(C)CC(C)(C)CNCc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072183025 EI Annotated Anodyne COc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)c1 ZINC000072183147 EI Annotated Anodyne Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3[C@@H](C)CC[C@H]3C)cn2)c1 ZINC000072183239 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3[C@@H](C)CC[C@@H]3C)cn2)c1 ZINC000072183240 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3[C@H](C)CC[C@H]3C)cn2)c1 ZINC000072183241 EI Annotated Mild Cc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCCCC2)c1 ZINC000072183456 EI Annotated Mild CCOc1ccccc1-c1nc(CN(C)c2ccc(OC)cc2)co1 ZINC000072183465 EI Annotated Clean COc1ccc(-c2nc(CN(CCC#N)Cc3ccccc3)co2)cc1 ZINC000072183507 EI Annotated Mild Cc1ccc(/C(=N/O)N2CC=CC2)c(Oc2cccc(C(C)C)c2)n1 ZINC000072183612 EI Annotated Mild Cc1ccc(/C(=N/O)NC2CCCC2)c(OCC2CCCCC2)n1 ZINC000072183627 EI Annotated Mild CC(C)COc1ncccc1/C(=N/O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000072183630 EI Annotated Mild CC(C)COc1ncccc1/C(=N/O)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000072183631 EI Annotated Mild CC(C)COc1ncccc1/C(=N/O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000072183632 EI Annotated Mild CC(C)COc1ncccc1/C(=N/O)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000072183633 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCCCC3)cn2)c1 ZINC000072183634 EI Annotated Mild CCN(/C(=N\O)c1ccnc(Oc2ccc(C)cc2C)c1)C(C)C ZINC000072183635 EI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)N3CCC=N3)cn2)cc(C(C)C)c1 ZINC000072183684 EI Annotated Mild Cc1ccc(/C(=N/O)NC2CC2)c(Oc2cccc(C(C)C)c2)n1 ZINC000072183762 EI Annotated Mild COc1ccccc1CCNCc1coc(-c2ccccc2Cl)n1 ZINC000072183788 EI Annotated Anodyne COc1cccc(-c2nc(CN(CCC#N)c3ccccc3)co2)c1 ZINC000072183881 EI Annotated Mild Cc1cccc(Oc2ccc(/C(=N/O)NC3CCC(C)CC3)cn2)c1 ZINC000072183898 EI Annotated Mild FC(F)(F)CNCc1coc(-c2ccc(Cl)cc2Cl)n1 ZINC000072183906 EI Annotated Anodyne CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCCCC1 ZINC000072184007 EI Annotated Mild Brc1ccccc1-c1nc(CNCc2ccccc2)co1 ZINC000072184034 EI Annotated Anodyne Clc1ccc(-c2nc(CNCc3cccnc3)co2)c(Cl)c1 ZINC000072184037 EI Annotated Anodyne COc1ccccc1Oc1ncccc1C(=N)NC1CCCCC1 ZINC000072184054 EI Annotated Anodyne COc1c(CN(C(C)=O)c2ccccc2)ccc2c1OC(C)(C)C=C2 ZINC000072184200 EI Annotated Anodyne CCc1ccc(Oc2ncccc2/C(=N\O)NC2CCCCC2)cc1 ZINC000072184264 EI Annotated Mild O/N=C(/c1ccnc(Oc2ccc(F)c(Cl)c2)c1)N1CC=CCC1 ZINC000072184306 EI Annotated Mild Cc1cn(/C(=N\O)c2ccc(Oc3ccc4ccccc4c3)nc2)cn1 ZINC000072184388 EI Annotated Mild O/N=C(/c1ccnc(Oc2ccc(Cl)cc2)c1)N1CCCCC1 ZINC000072184424 EI Annotated Mild CC(C)Oc1ccc([C@@](O)(c2cccnc2)c2ccccc2F)cc1 ZINC000072184439 EI Annotated Anodyne CC(C)Oc1ccc([C@](O)(c2cccnc2)c2ccccc2F)cc1 ZINC000072184440 EI Annotated Anodyne COc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1 ZINC000072184453 EI Annotated Anodyne Cc1ccc(/C(=N/O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c(OCC(C)C)n1 ZINC000072184470 EI Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2C[C@H](C)CC(C)(C)C2)c(OCC(C)C)n1 ZINC000072184471 EI Annotated Mild Cc1ccc(/C(=N/O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(OCC(C)C)n1 ZINC000072184472 EI Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c(OCC(C)C)n1 ZINC000072184473 EI Annotated Mild Cc1ccc(/C(=N/O)N2CCC[C@@H]2C)c(Oc2ccc(Cl)cc2)n1 ZINC000072184485 EI Annotated Mild Cc1ccc(/C(=N/O)N2CCC[C@H]2C)c(Oc2ccc(Cl)cc2)n1 ZINC000072184486 EI Annotated Mild CCN(/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1)C(C)C ZINC000072184517 EI Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)NCC(C)(C)C)ccn2)cc1 ZINC000072184539 EI Annotated Mild O/N=C(/NC1CCCCC1)c1cccnc1Oc1ccc(F)cc1 ZINC000072184608 EI Annotated Mild Cc1cccc(Oc2nc(C)ccc2/C(=N/O)NC2CCCC2)c1 ZINC000072184721 EI Annotated Mild C[C@@H]1C[C@H](N/C(=N\O)c2cccnc2OCC(C)(C)C)CC(C)(C)C1 ZINC000072184787 EI Annotated Mild C[C@H]1C[C@H](N/C(=N\O)c2cccnc2OCC(C)(C)C)CC(C)(C)C1 ZINC000072184788 EI Annotated Mild C[C@@H]1C[C@@H](N/C(=N\O)c2cccnc2OCC(C)(C)C)CC(C)(C)C1 ZINC000072184789 EI Annotated Mild C[C@H]1C[C@@H](N/C(=N\O)c2cccnc2OCC(C)(C)C)CC(C)(C)C1 ZINC000072184790 EI Annotated Mild C[C@@H]1[C@@H](NCc2coc(-c3ccc(O)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000072184798 EI Annotated Anodyne C[C@H]1[C@@H]2C[C@H](C[C@H]1NCc1coc(-c3ccc(O)cc3)n1)C2(C)C ZINC000072184799 EI Annotated Anodyne Cc1ccccc1-c1nc(Cn2cc(CCN)c3ccccc32)co1 ZINC000072184828 EI Annotated Anodyne FC(F)(F)c1ccc(-c2nc(Cn3ncc4c3CCCC4)co2)cc1 ZINC000072184892 EI Annotated Anodyne CC(C)(C)CN/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000072184896 EI Annotated Mild CCc1ccc(Oc2ccc(/C(=N/O)N3CCCCC3)cn2)cc1 ZINC000072184924 EI Annotated Mild C[C@H]1C=C[C@@H](C)N1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072185053 EI Annotated Mild C[C@H]1C=C[C@H](C)N1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072185054 EI Annotated Mild C[C@@H]1C=C[C@@H](C)N1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072185055 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccco2)cc1 ZINC000072185065 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC[C@@H]2C)c(C)c1 ZINC000072185067 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC[C@H]2C)c(C)c1 ZINC000072185068 EI Annotated Mild CCC(CC)N/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1 ZINC000072185071 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCC(C)CC3)cn2)c1 ZINC000072185096 EI Annotated Mild CO/N=C(/c1ccc(Cl)cc1)C1(c2ccccc2C(=O)O)CC1 ZINC000072185123 EI Annotated Mild O/N=C(\NCC1CC1)c1cccnc1Oc1ccc2ccccc2c1 ZINC000072185130 EI Annotated Mild Cc1ccc(/C(=N/O)NC(C)C)c(Oc2cccc(C(C)C)c2)n1 ZINC000072185143 EI Annotated Mild Cc1ccc(-c2ccn(Cc3coc(-c4ccc(O)cc4)n3)n2)cc1 ZINC000072185170 EI Annotated Anodyne O/N=C(\NC1CCCCC1)c1cccnc1Oc1c(F)cccc1F ZINC000072185179 EI Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)NCC(C)C)c2c1CCC2 ZINC000072185212 EI Annotated Mild CCC(C)(C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(C)c1 ZINC000072185255 EI Annotated Mild O/N=C(/c1cccnc1Oc1ccc(F)cc1)N1CCCCCC1 ZINC000072185256 EI Annotated Mild CCCCC[C@@H](C)NCc1coc(-c2cc(C(C)=O)ccc2O)n1 ZINC000072185259 EI Annotated Anodyne CCCCC[C@H](C)NCc1coc(-c2cc(C(C)=O)ccc2O)n1 ZINC000072185260 EI Annotated Anodyne Cc1cc(C)n(/C(=N\O)c2ccc(Oc3ccc(Cl)cc3)nc2)n1 ZINC000072185297 EI Annotated Mild CCCCN(CCC#N)Cc1coc(-c2ccccc2OCC)n1 ZINC000072185305 EI Annotated Mild CCOc1cccc(-c2nc(CNCc3cccc(OC)c3)co2)c1 ZINC000072185438 EI Annotated Anodyne Cc1nccn1/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1 ZINC000072185441 EI Annotated Mild CCC(CC)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1 ZINC000072185455 EI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)n3ccnc3)cn2)cc(C(C)C)c1 ZINC000072185457 EI Annotated Mild COc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc1 ZINC000072185469 EI Annotated Anodyne Cc1cc(Oc2ccc(/C(=N/O)NC3CC3)cn2)cc(C(C)C)c1 ZINC000072185473 EI Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)NCC3CC3)cn2)cc(C(C)C)c1 ZINC000072185479 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3[C@@H](C)C=C[C@H]3C)cn2)c1 ZINC000072185487 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3[C@@H](C)C=C[C@@H]3C)cn2)c1 ZINC000072185488 EI Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3[C@H](C)C=C[C@H]3C)cn2)c1 ZINC000072185489 EI Annotated Mild O/N=C(\NCC1CCCCC1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000072185572 EI Annotated Mild CSc1ccc(Oc2cc(/C(=N/O)N3CCCCC3)ccn2)cc1 ZINC000072185574 EI Annotated Mild CCN(Cc1coc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 ZINC000072185590 EI Annotated Clean Cc1ccccc1-c1nc(CN2CCC(N3CCCCC3)CC2)co1 ZINC000072185630 EI Annotated Anodyne Oc1ccc(-c2nc(CNCc3ccc(C(F)(F)F)cc3)co2)cc1 ZINC000072185653 EI Annotated Anodyne Cc1ccc(/C(=N/O)NCC2CC2)c(Oc2ccc3ccccc3c2)n1 ZINC000072185773 EI Annotated Mild CC(C)c1nccn1Cc1coc(-c2ccccc2Br)n1 ZINC000072185789 EI Annotated Anodyne N#CCCN(Cc1coc(-c2ccc(O)cc2)n1)C1CCCCC1 ZINC000072185791 EI Annotated Mild O/N=C(\NCc1cccs1)c1cccnc1OCC1CCCCC1 ZINC000072185809 EI Annotated Mild O/N=C(\NC1CCCC1)c1ccnc(Oc2ccc(F)c(Cl)c2)c1 ZINC000072185823 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCCC2)c(C)c1 ZINC000072185891 EI Annotated Mild O/N=C(/c1cccnc1Oc1ccc(F)cc1)N1Cc2ccccc2C1 ZINC000072185903 EI Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NC(C)C)cc1 ZINC000072186010 EI Annotated Mild Cc1ccc(Oc2cc(/C(=N/O)NCC(C)(C)C)ccn2)c(C)c1 ZINC000072186049 EI Annotated Mild Cc1ccc(C(C)C)c(Oc2cc(/C(=N/O)n3ccnc3)ccn2)c1 ZINC000072186123 EI Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCCC2)cc1 ZINC000072186132 EI Annotated Mild CCOc1ccccc1-c1nc(CN(CC)Cc2ccncc2)co1 ZINC000072186159 EI Annotated Anodyne Cc1ccc(C(C)C)c(Oc2cc(/C(=N/O)NC(C)C)ccn2)c1 ZINC000072186176 EI Annotated Mild Cc1ccc(/C(=N/O)N2CCCCC2)c(Oc2ccc(Cl)cc2)n1 ZINC000072186284 EI Annotated Mild COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072186287 EI Annotated Anodyne Cc1cc(C)cc(Oc2ccc(/C(=N/O)NCc3ccccc3)cn2)c1 ZINC000072186388 EI Annotated Mild CCCCC[C@@H](C)NCc1coc(-c2cc(OC)cc(OC)c2)n1 ZINC000072186389 EI Annotated Anodyne CCCCC[C@H](C)NCc1coc(-c2cc(OC)cc(OC)c2)n1 ZINC000072186390 EI Annotated Anodyne CCCCc1ccc(-c2nc(CNCC[C@@H]3CCCN3C)co2)cc1 ZINC000072186398 EI Annotated Anodyne CCCCc1ccc(-c2nc(CNCC[C@H]3CCCN3C)co2)cc1 ZINC000072186399 EI Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)Nc2ccccc2)cc1 ZINC000072186560 EI Annotated Mild Cc1cccc(-c2nc(Cn3cc(Cl)c(=O)c(Cl)c3)co2)c1 ZINC000072186561 EI Annotated Anodyne Clc1ccc([C@@H]2[C@H]3CC[C@H](C3)[C@]23CCC(N2CCOCC2)=N3)cc1 ZINC000072266914 EI Annotated Anodyne in-man CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl ZINC000072316000 EI Annotated Anodyne Cc1csc2cc(C(=O)NCc3cc(-c4ccccc4)on3)cnc12 ZINC000072323094 EI Annotated Anodyne CC(C)(C)n1cc(C(=O)NCCC2=CCCCC2)c2cccnc21 ZINC000072323133 EI Annotated Anodyne CC(C)(C)n1cc(C(=O)NCCCc2ccccc2)c2cccnc21 ZINC000072323157 EI Annotated Anodyne CN(C)c1ccc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)cc1 ZINC000072323181 EI Annotated Anodyne Cc1ccc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)cc1F ZINC000072323198 EI Annotated Anodyne CC(C)c1nnc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)s1 ZINC000072323207 EI Annotated Anodyne CC(C)OCCCNC(=O)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323634 EI Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323684 EI Annotated Anodyne C[C@H]1Cc2ccccc2N1C(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323685 EI Annotated Anodyne CO/N=C(\c1ccc(Cl)cc1)C1(c2ccccc2C(=O)O)CC1 ZINC000072937908 EI Annotated Mild C[C@H]1C[C@H]2C[C@@H](C)[C@@](C)(C#N)[C@H]3CC[C@H]4[C@H]([C@H]23)[C@@H]1CC[C@]4(C)NC=O ZINC000072940791 EI Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](OC)c1cc(F)ccc1Br ZINC000072998118 EI Annotated Anodyne CC(=O)C1=CN(CC/C=C\c2ccccc2)C(=O)N[C@@H]1c1ccccc1 ZINC000073116185 EI Annotated Mild CC(=O)C1=CN(CC/C=C\c2ccccc2)C(=O)N[C@H]1c1ccccc1 ZINC000073116186 EI Annotated Mild N#Cc1c(O)nc(SCc2cccc(Cl)c2)c2c1CCCC2 ZINC000073129767 EI Annotated Mild N#Cc1c(O)nc(SCc2ccc(Cl)cc2)c2c1CCCC2 ZINC000073129771 EI Annotated Mild COc1ccc(-c2ncn(C)c2-c2cc(F)c(OC)c(F)c2)cc1F ZINC000073139694 EI Annotated Anodyne O=C(c1c[nH]c2ccccc12)c1nccc2c1[nH]c1ccc(O)cc12 ZINC000073140770 EI Annotated Anodyne N#Cc1c(O)nc(SCc2ccccc2Cl)c2c1CCCC2 ZINC000073141434 EI Annotated Mild CC(C)(C)c1cc(N2C(=O)CS[C@H]2c2c(F)cccc2F)no1 ZINC000073141740 EI Annotated Anodyne CC(C)(C)c1cc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)no1 ZINC000073141742 EI Annotated Anodyne Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)no1 ZINC000073141745 EI Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)no1 ZINC000073141748 EI Annotated Anodyne CCOc1cc(/C(=C\C#N)c2ccc(OC)c(F)c2)ccc1OC ZINC000073141939 EI Annotated Reactive Cc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc1 ZINC000073157630 EI Annotated Anodyne Cc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc1 ZINC000073157633 EI Annotated Anodyne N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)S1 ZINC000073159974 EI Annotated Anodyne CN1C(=O)[C@@](O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21 ZINC000073160763 EI Annotated Anodyne CN1C(=O)[C@](O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21 ZINC000073160766 EI Annotated Anodyne Cc1ccc(-c2nc[nH]n2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 ZINC000073161407 EI Annotated Anodyne Cc1ccnc(SC(F)(F)c2nc3c(Cl)cccc3o2)n1 ZINC000073163352 EI Annotated Anodyne CCOC(=O)C/N=C\C(CC)(CC)SSC(C=O)(CC)CC ZINC000073166425 EI Annotated Reactive Cc1ccnc(SC(F)(F)c2nc3cccc(Cl)c3o2)n1 ZINC000073167392 EI Annotated Anodyne N#Cc1c2c(c(SCCc3ccccc3Cl)[nH]c1=O)CCCC2 ZINC000073168274 EI Annotated Mild CCOc1cc(/C(=C\C#N)c2cc(OC)cc(OC)c2)ccc1OC ZINC000073169664 EI Annotated Reactive COc1ccc(CON(Cc2ccccc2)Cc2ccccn2)cc1 ZINC000073196109 EI Annotated Anodyne CO/N=C1\C[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1C ZINC000073196736 EI Annotated Mild Cc1ccccc1-n1cc(CSc2nc3ccccc3s2)nn1 ZINC000073197177 EI Annotated Anodyne ClCCSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000073197266 EI Annotated Reactive Fc1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1 ZINC000073197675 EI Annotated Anodyne CCc1cc(=O)c2ccc(OCC(C)C)c(CBr)c2o1 ZINC000073197774 EI Annotated Reactive Cc1c(O)ccc(C(=O)/C=C/c2ccc(Br)cc2)c1O ZINC000073197896 EI Annotated Mild O=C(O)c1cc(C2CCCCC2)c(=O)n2c1sc1ccccc12 ZINC000073198151 EI Annotated Anodyne CCc1cc(=O)c2ccc(Sc3cccc(Cl)[n+]3[O-])c(C)c2o1 ZINC000073198177 EI Annotated Anodyne CCc1oc2c(C)c(OC(C)C)ccc2c(=O)c1Br ZINC000073198178 EI Annotated Anodyne CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@H]2C(=O)CCC[C@H]2N1 ZINC000073198343 EI Annotated Reactive CC1=C(C#N)[C@@H](c2sc3ccccc3c2C)[C@H]2C(=O)CCC[C@H]2N1 ZINC000073198344 EI Annotated Reactive CC1=C(C#N)[C@H](c2sc3ccccc3c2C)[C@@H]2C(=O)CCC[C@H]2N1 ZINC000073198345 EI Annotated Reactive CC1=C(C#N)[C@@H](c2sc3ccccc3c2C)[C@@H]2C(=O)CCC[C@H]2N1 ZINC000073198346 EI Annotated Reactive CO/C(=C\c1ccc(OC)cc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000073198591 EI Annotated Anodyne COc1cc(C)c2nc3[nH]nc(C)c3c([C@@H](C#N)c3ccccc3)c2c1 ZINC000073199092 EI Annotated Mild COc1cc(C)c2nc3[nH]nc(C)c3c([C@H](C#N)c3ccccc3)c2c1 ZINC000073199093 EI Annotated Mild CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1cccc(F)c1 ZINC000073199524 EI Annotated Anodyne CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1cccc(F)c1 ZINC000073199525 EI Annotated Anodyne Cc1ccc(C(=O)/C=C/c2cc(C)c3c(c2)[C@@H]2OC[C@H](CO3)O2)cc1 ZINC000073199897 EI Annotated Mild Cc1ccc(C(=O)/C=C/c2cc(C)c3c(c2)[C@H]2OC[C@@H](CO3)O2)cc1 ZINC000073199899 EI Annotated Mild CCc1cc(=O)c2ccc(OC(C)C)c(CBr)c2o1 ZINC000073200389 EI Annotated Reactive CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccc1F ZINC000073200451 EI Annotated Anodyne CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1F ZINC000073200453 EI Annotated Anodyne C[C@H]1C[C@@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCc1ccoc1 ZINC000073220101 EI Annotated Anodyne Cc1c(C(=O)c2ccc3ccccc3c2)c(C)n(C)c1CCC(=O)O ZINC000073220537 EI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3 ZINC000073222389 EI Annotated Mild N#C/C(=C\c1c[nH]c2cccc([N+](=O)[O-])c12)c1nc2ccccc2[nH]1 ZINC000073223598 EI Annotated Reactive C=CC1=C(C(=O)Nc2ccccc2OC)[C@@H](c2ccc(F)cc2)OC1 ZINC000073223795 EI Annotated Anodyne C=CC1=C(C(=O)Nc2ccccc2OC)[C@H](c2ccc(F)cc2)OC1 ZINC000073223797 EI Annotated Anodyne CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(C)cc2c1=O ZINC000073224403 EI Annotated Anodyne C=CC1=C(C(=O)NCCC)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000073224474 EI Annotated Anodyne C=CC1=C(C(=O)NCCC)[C@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000073224475 EI Annotated Anodyne C=CC1=C(C(=O)NCC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000073224476 EI Annotated Anodyne C=CC1=C(C(=O)NCC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000073224477 EI Annotated Anodyne N#Cc1ccccc1-c1nc2cnc3cc(Br)ccc3c2[nH]1 ZINC000073224618 EI Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@@](C)(COC(C)=O)CCC[C@@]4(C)[C@@H]2[C@H](O)C[C@@H]1C3 ZINC000073224661 EI Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000073240394 EI Annotated Mild O=C1c2ccc(-c3nc4ccccc4s3)cc2N=C[C@@H]2CCCN12 ZINC000073257960 EI Annotated Anodyne CO[C@@H]1CO[C@]2(OC)C(=O)C3=C(CCCC3(C)C)c3ccc(C)c1c32 ZINC000073273511 EI Annotated Mild CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)C1CCCC1 ZINC000073274419 EI Annotated Anodyne C[C@@](O)(CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073294815 EI Annotated Anodyne C[C@](O)(CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073294817 EI Annotated Anodyne COc1ccc2c(c1)[nH]c1c(-c3ccnc4ccccc34)[nH]c(=O)cc12 ZINC000073295369 EI Annotated Anodyne O=C1CCCc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O ZINC000073295534 EI Annotated Clean Cc1ccccc1-n1c(C)nc2cc(/N=C/c3ccco3)ccc2c1=O ZINC000073310484 EI Annotated Mild COc1ccc2c(c1)[nH]c1c(C(=O)c3c[nH]c4ccccc34)nccc12 ZINC000073310736 EI Annotated Anodyne 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)O)C2 ZINC000073311000 EI Annotated Mild C[C@@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000073314408 EI Annotated Anodyne C[C@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000073314410 EI Annotated Anodyne CCN(CC)CCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O ZINC000073336877 EI Annotated Anodyne c1ccc(C(NC[C@@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000073351325 EI Annotated Anodyne c1ccc(C(NC[C@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000073351326 EI Annotated Anodyne COc1cc2c(cc1OC)[C@@H](N(C)C)C(c1ccccc1)=C2Cl ZINC000073369714 EI Annotated Anodyne COc1cc2c(cc1OC)[C@H](N(C)C)C(c1ccccc1)=C2Cl ZINC000073369716 EI Annotated Anodyne Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)C3)c1C ZINC000073386629 EI Annotated Anodyne c1ccc(C(NCc2nnnn2C2CCCCC2)c2ccccc2)cc1 ZINC000073389306 EI Annotated Anodyne C[C@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000073403730 EI Annotated Reactive CO/N=C1\C[C@@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H]1C ZINC000073404061 EI Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4OO[C@]3(C=C4C(C)C)CC[C@H]21 ZINC000073404579 EI Annotated Reactive COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4OO[C@]3(C=C4C(C)C)CC[C@@H]21 ZINC000073404581 EI Annotated Reactive Cc1ccc(CN2C(=O)COCc3cc(-c4ccncc4)ccc32)cc1 ZINC000074374808 EI Annotated Anodyne CC(C)N1C(=O)COCc2cc(-c3cc(F)cc(Cl)c3)ccc21 ZINC000074374841 EI Annotated Anodyne COc1ccc(Cl)cc1-c1ccc2c(c1)COCC(=O)N2C(C)C ZINC000074374843 EI Annotated Anodyne O=C1COCc2cc(-c3cc4ccccc4o3)ccc2N1CC1CC1 ZINC000074374893 EI Annotated Anodyne O=C1COCc2cc(-c3ccc(Cl)cc3)ccc2N1CC1CC1 ZINC000074374933 EI Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3ccc4ccccc4c3)cc21 ZINC000074375070 EI Annotated Anodyne O=C1COCc2ccc(-c3cnc4ccccc4c3)cc2N1CC1CC1 ZINC000074375094 EI Annotated Anodyne O=C1COCc2c(-c3cccc(O)c3)cccc2N1Cc1ccccc1 ZINC000074375185 EI Annotated Anodyne CC(C)N1C(=O)COCc2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000074375313 EI Annotated Anodyne CC(C)N1C(=O)COCc2cc(-c3ccc(F)c(Cl)c3)ccc21 ZINC000074375438 EI Annotated Anodyne O=C1COCc2cc(-c3cccc(O)c3)ccc2N1Cc1ccccc1 ZINC000074375656 EI Annotated Anodyne O=C1COCc2ccc(-c3ccncc3)cc2N1CC1CCCCC1 ZINC000074375720 EI Annotated Anodyne O=C1COCc2ccc(-c3cc4ccccc4o3)cc2N1CC1CC1 ZINC000074375870 EI Annotated Anodyne Cc1cccc(Cc2ccc3ncc(-c4cccc(C(=N)O)c4)n3n2)c1 ZINC000074386036 EI Annotated Anodyne COc1cccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 ZINC000074386095 EI Annotated Anodyne COc1cccc(/N=c2/[nH]ccc3[nH]c(-c4cccc(C)c4)nc23)c1 ZINC000074386253 EI Annotated Anodyne Oc1cccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)c1 ZINC000074386288 EI Annotated Anodyne COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4ccc(C)cc4)nc23)cc1 ZINC000074386647 EI Annotated Anodyne COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C)c4)nc23)cc1 ZINC000074386797 EI Annotated Anodyne COc1cccc(-c2cc3c(Nc4ccncc4)nccc3n2C)c1 ZINC000074386911 EI Annotated Anodyne COc1cccc(-c2cc3c(Nc4cccnc4)nccc3n2C)c1 ZINC000074386974 EI Annotated Anodyne CN(C)c1cccc(Nc2nccc3c2cc(-c2cccnc2)n3C)c1 ZINC000074387035 EI Annotated Anodyne COc1cc(OC)cc(-c2cc3c(Nc4ccncc4)nccc3[nH]2)c1 ZINC000074387072 EI Annotated Anodyne O/C(=N\c1ccc2nc(Cc3ccccc3)nn2c1)c1cccc(F)c1 ZINC000074387168 EI Annotated Mild COc1cccc(-c2nc3ccc(/N=C(\O)c4ccccc4)cn3n2)c1 ZINC000074387273 EI Annotated Mild COc1ccccc1-c1nc2ccc(/N=C(\O)c3ccccc3)cn2n1 ZINC000074387279 EI Annotated Mild Clc1cccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)c1 ZINC000074387350 EI Annotated Anodyne Cn1c(NCc2ccccc2)nc2cnc(-c3cccc(F)c3)cc21 ZINC000074387433 EI Annotated Anodyne COc1ccccc1Nc1nc2cnc(-c3ccccc3)cc2n1C ZINC000074387435 EI Annotated Anodyne Cc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccccc3C)cn2)cc1 ZINC000074387620 EI Annotated Anodyne CC(=O)c1cccc(Nc2cc3c(cn2)ncn3Cc2ccco2)c1 ZINC000074388299 EI Annotated Anodyne COc1ccc(Nc2cc3c(cn2)ncn3Cc2ccco2)c(C)c1 ZINC000074388623 EI Annotated Anodyne Cn1cc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)cn1 ZINC000074388654 EI Annotated Anodyne COc1cccc(-c2n[nH]c3ccnc(-c4cc(F)ccc4OC)c23)c1 ZINC000074388765 EI Annotated Anodyne CNc1nc2cnc(Nc3cccc(Cl)c3)cc2n1CC1CC1 ZINC000074388790 EI Annotated Anodyne COc1cccc(Cc2n[nH]c3ccnc(-c4ccc(C#N)cc4)c23)c1 ZINC000074388939 EI Annotated Anodyne CN(C)c1ccc(C(=O)/C=C/c2ccc(Br)s2)cc1 ZINC000007586672 EI Annotated Mild Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000007674843 EI Annotated Mild CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(CCC(C)C)CC2 ZINC000007991979 EI Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(CCC(C)C)CC2 ZINC000007991980 EI Annotated Anodyne CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000007991989 EI Annotated Anodyne CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000007991990 EI Annotated Anodyne CCCCCCCC1=CC2=CC(=O)[C@@](C)(O)C(=O)C2=CN1CCCC ZINC000008019705 EI Annotated Mild CCCCCCCC1=CC2=CC(=O)[C@](C)(O)C(=O)C2=CN1CCCC ZINC000008019711 EI Annotated Mild Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(C(F)(F)F)cc1 ZINC000008216616 EI Annotated Mild Cc1cc(O)c(CN(C)Cc2ccc3c(c2)OCCO3)cc1C(C)C ZINC000008389941 EI Annotated Clean CCCC[C@@H](CC)c1[nH]c(=O)n(SC(Cl)(Cl)Cl)c1O ZINC000080400033 EI Annotated Anodyne CCCC[C@H](CC)c1[nH]c(=O)n(SC(Cl)(Cl)Cl)c1O ZINC000080400037 EI Annotated Anodyne C[C@H](O)Cc1nsc(Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000082047169 EI Annotated Anodyne C[C@@H](O)Cc1nsc(Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000082047172 EI Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(C)CC4)[C@H]3C[C@H]12 ZINC000082051333 EI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(C)CC4)[C@H]3C[C@H]12 ZINC000082051335 EI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3C[C@H]12 ZINC000082051356 EI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3C[C@H]12 ZINC000082051357 EI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@@H](C)C4)[C@H]3C[C@H]12 ZINC000082051359 EI Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@H](C)C4)[C@H]3C[C@H]12 ZINC000082051361 EI Annotated Mild Cc1csc(NCSCSCNc2nc(C)cs2)n1 ZINC000082052603 EI Annotated Anodyne c1ccc(Nc2nc3nsnc3nc2Sc2ccccc2)cc1 ZINC000082053117 EI Annotated Anodyne c1ccc(Sc2nc3nonc3nc2Sc2ccccc2)cc1 ZINC000082053213 EI Annotated Anodyne Cc1ccccc1-c1nnc2ccc(-c3c[nH]c4ccccc34)nn12 ZINC000082060506 EI Annotated Anodyne Cc1csc2c1ncn1c(-c3cccc(Br)c3)nnc21 ZINC000082060599 EI Annotated Anodyne CC[C@@H]1CCCCN1c1cc(Oc2cc(OC)cc(OC)c2)ncn1 ZINC000082067334 EI Annotated Anodyne CC[C@H]1CCCCN1c1cc(Oc2cc(OC)cc(OC)c2)ncn1 ZINC000082067335 EI Annotated Anodyne CN(Cc1ccccc1)c1cc(Oc2cccc3cccnc23)ncn1 ZINC000082067469 EI Annotated Anodyne COc1ccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)cc1 ZINC000082067514 EI Annotated Anodyne COc1cc(OC)cc(Oc2cc(NC3CCCCC3)ncn2)c1 ZINC000082067531 EI Annotated Anodyne Fc1cccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)c1 ZINC000082067540 EI Annotated Anodyne Fc1ccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)cc1 ZINC000082067541 EI Annotated Anodyne Fc1ccc(F)c(CNc2cc(Oc3ccccc3F)ncn2)c1 ZINC000082067555 EI Annotated Anodyne c1ccc(CCNc2cc(Oc3ccc4ccccc4c3)ncn2)nc1 ZINC000082067697 EI Annotated Anodyne COc1ccc(Oc2cc(NCc3ccccc3F)ncn2)cc1 ZINC000082067715 EI Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(NCC3CCCCC3)ncn2)c1 ZINC000082067732 EI Annotated Anodyne CCCN(CC1CC1)c1cc(Oc2cccc3cccnc23)ncn1 ZINC000082067761 EI Annotated Anodyne c1ccc(CCNc2cc(Oc3cccc4ccccc34)ncn2)nc1 ZINC000082067778 EI Annotated Anodyne COc1cc(OC)cc(Oc2cc(N(C)C3CCCCC3)ncn2)c1 ZINC000082067817 EI Annotated Anodyne COc1ccccc1Oc1cc(NCc2cc(F)cc(F)c2)ncn1 ZINC000082068258 EI Annotated Anodyne c1cncc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 ZINC000082068259 EI Annotated Anodyne COc1ccc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)cc1 ZINC000082068268 EI Annotated Anodyne Fc1cc(F)cc(CNc2cc(Oc3cccc(F)c3)ncn2)c1 ZINC000082068289 EI Annotated Anodyne COc1ccccc1CNc1cc(Oc2cccc(F)c2)ncn1 ZINC000082068294 EI Annotated Anodyne COc1ccccc1CNc1cc(Oc2ccc(F)cc2)ncn1 ZINC000082068295 EI Annotated Anodyne CCOc1ccccc1CNc1cc(Oc2cccc(F)c2)ncn1 ZINC000082068296 EI Annotated Anodyne COc1ccccc1CNc1cc(Oc2ccccc2F)ncn1 ZINC000082068305 EI Annotated Anodyne c1cncc(CNc2cc(Oc3cccc4ccccc34)ncn2)c1 ZINC000082068328 EI Annotated Anodyne COc1ccccc1Oc1cc(NC[C@H](C)c2ccccc2)ncn1 ZINC000082068347 EI Annotated Anodyne COc1ccccc1Oc1cc(NC[C@@H](C)c2ccccc2)ncn1 ZINC000082068348 EI Annotated Anodyne COc1ccc(Oc2cc(NC[C@H](C)c3ccccc3)ncn2)cc1 ZINC000082068360 EI Annotated Anodyne COc1ccc(Oc2cc(NC[C@@H](C)c3ccccc3)ncn2)cc1 ZINC000082068361 EI Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(NCc3ccccc3C)ncn2)c1 ZINC000082068364 EI Annotated Anodyne CCOc1ccccc1CNc1cc(Oc2ccc(F)cc2)ncn1 ZINC000082068375 EI Annotated Anodyne CCOc1ccccc1CNc1cc(Oc2ccccc2F)ncn1 ZINC000082068385 EI Annotated Anodyne Fc1ccc(CCNc2cncc(Oc3ccccc3F)n2)cc1 ZINC000082068439 EI Annotated Anodyne COc1ccccc1CCNc1cncc(Oc2ccccc2F)n1 ZINC000082068484 EI Annotated Anodyne Fc1ccc(CCNc2cncc(Oc3ccc(F)cc3)n2)cc1 ZINC000082068504 EI Annotated Anodyne Fc1ccc(CCNc2cncc(Oc3cccc(F)c3)n2)cc1 ZINC000082068505 EI Annotated Anodyne CC(=O)Nc1cccc(Oc2cncc(NCC3CCCCC3)n2)c1 ZINC000082068629 EI Annotated Anodyne OCCCCNc1cncc(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000082068688 EI Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3)n2)C1 ZINC000082068758 EI Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3)n2)C1 ZINC000082068759 EI Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3)n2)C1 ZINC000082068760 EI Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3)n2)C1 ZINC000082068761 EI Annotated Anodyne c1ccc(CNc2cncc(Oc3cccc4cccnc34)n2)cc1 ZINC000082068815 EI Annotated Anodyne O=C(O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074799 EI Annotated Anodyne COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082075123 EI Annotated Anodyne CCCCOCCOC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082075155 EI Annotated Anodyne Cc1ccccc1Nc1nnc([C@H](O)c2cccc(Cl)c2)s1 ZINC000082078057 EI Annotated Anodyne Cc1ccccc1Nc1nnc([C@@H](O)c2cccc(Cl)c2)s1 ZINC000082078059 EI Annotated Anodyne Cc1ccccc1Nc1nnc([C@H](O)c2ccc(Cl)cc2)s1 ZINC000082078124 EI Annotated Anodyne Cc1ccccc1Nc1nnc([C@@H](O)c2ccc(Cl)cc2)s1 ZINC000082078126 EI Annotated Anodyne C=C[C@H](O)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 ZINC000082078131 EI Annotated Mild C=C[C@@H](O)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 ZINC000082078133 EI Annotated Mild C=CC[C@H](O)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 ZINC000082078248 EI Annotated Mild C=CC[C@@H](O)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 ZINC000082078249 EI Annotated Mild CSc1ccc([C@@H](O)c2nnc(Nc3ccccc3C)s2)cc1 ZINC000082078306 EI Annotated Anodyne CSc1ccc([C@H](O)c2nnc(Nc3ccccc3C)s2)cc1 ZINC000082078307 EI Annotated Anodyne Cc1ccccc1Nc1nnc([C@H](O)c2ccc(F)c(Cl)c2)s1 ZINC000082078369 EI Annotated Anodyne Cc1ccccc1Nc1nnc([C@@H](O)c2ccc(F)c(Cl)c2)s1 ZINC000082078370 EI Annotated Anodyne Cc1cccc([C@H](O)c2nnc(Nc3ccccc3Cl)s2)c1 ZINC000082078389 EI Annotated Anodyne Cc1cccc([C@@H](O)c2nnc(Nc3ccccc3Cl)s2)c1 ZINC000082078390 EI Annotated Anodyne O/C(Cc1ccccc1)=N\c1ccc2nc(Cc3ccccc3)nn2c1 ZINC000082078503 EI Annotated Mild CSc1ccc([C@@H](O)c2nnc(N(C)c3ccccc3)s2)cc1 ZINC000082078753 EI Annotated Anodyne CSc1ccc([C@H](O)c2nnc(N(C)c3ccccc3)s2)cc1 ZINC000082078756 EI Annotated Anodyne Cc1ccsc1[C@@H](O)c1nnc(Nc2c(C)cccc2C)s1 ZINC000082078978 EI Annotated Anodyne Cc1ccsc1[C@H](O)c1nnc(Nc2c(C)cccc2C)s1 ZINC000082078980 EI Annotated Anodyne O/C(=N\c1ccc2nc(-c3ccsc3)nn2c1)c1cccc(F)c1 ZINC000082081676 EI Annotated Mild O/C(=N\c1ccccc1)Nc1ccc2nc(-c3cccs3)nn2c1 ZINC000082081799 EI Annotated Mild CN(C)c1cccc(Nc2nccc3[nH]c(-c4ccccc4)nc23)c1 ZINC000082082401 EI Annotated Anodyne C/C(O)=N\c1ccc(-c2cnc3ccc(-c4cccnc4)nn23)cc1 ZINC000082082623 EI Annotated Mild COc1ccccc1-c1cc2c(Nc3ccccn3)nccc2n1C ZINC000082082699 EI Annotated Anodyne C/C(O)=N\c1ccc(-c2nnc3ccc(-c4cccc(O)c4)cn23)cc1 ZINC000082082839 EI Annotated Mild C/C(O)=N\c1ccc(Nc2cc3c(cn2)ncn3Cc2ccco2)cc1 ZINC000082082881 EI Annotated Mild CC(C)c1cccc(Nc2nnc([C@H](O)c3ccccc3)s2)c1 ZINC000082083114 EI Annotated Anodyne CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccccc3)s2)c1 ZINC000082083117 EI Annotated Anodyne Cc1ccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 ZINC000082083721 EI Annotated Anodyne Cc1ccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 ZINC000082083724 EI Annotated Anodyne Cc1ccccc1[C@H](O)c1nnc(Nc2c(C)cccc2C)s1 ZINC000082083804 EI Annotated Anodyne Cc1ccccc1[C@@H](O)c1nnc(Nc2c(C)cccc2C)s1 ZINC000082083807 EI Annotated Anodyne CNc1nc2cnc(-c3cccc(F)c3)cc2n1Cc1ccccc1 ZINC000082083968 EI Annotated Anodyne Cc1ccc([C@H](O)c2ncc(-c3ccccc3C(F)(F)F)[nH]2)cc1 ZINC000082084106 EI Annotated Anodyne Cc1ccc([C@@H](O)c2ncc(-c3ccccc3C(F)(F)F)[nH]2)cc1 ZINC000082084108 EI Annotated Anodyne CCC[C@H](O)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 ZINC000082084139 EI Annotated Anodyne CCC[C@@H](O)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 ZINC000082084141 EI Annotated Anodyne O=C(OCCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082086395 EI Annotated Anodyne CCCCOCCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086442 EI Annotated Anodyne O=C(OCCc1ccccn1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086443 EI Annotated Anodyne O=C(NCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089364 EI Annotated Bother Nc1ccccc1CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082089369 EI Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NC)c2cc(OC)c(OC)cc2n1 ZINC000082131739 EI Annotated Anodyne CCCC[C@H](CC)CNc1nc(NC)c2cc(OC)c(OC)cc2n1 ZINC000082131742 EI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 ZINC000082132819 EI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc(C)c1 ZINC000082147019 EI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1cccc(C)c1 ZINC000082147021 EI Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc(C)c1 ZINC000082147024 EI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2cccc(C)c2)n1 ZINC000082147028 EI Annotated Anodyne CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)c1ccccc1 ZINC000082150045 EI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1F ZINC000082152904 EI Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccccc1F ZINC000082152905 EI Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1F ZINC000082152906 EI Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2ccccc2F)n1 ZINC000082152910 EI Annotated Anodyne O=C(O)c1cc(-c2ccccc2)c(=O)n2c1sc1ccc(F)cc12 ZINC000082152915 EI Annotated Anodyne COc1c2c(c(OC)c3ccccc13)[C@H]1Oc3ccccc3[C@H]1CO2 ZINC000082155045 EI Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@@](C)(COC(C)=O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3O ZINC000082155135 EI Annotated Mild Cc1cc(Br)c2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1 ZINC000082156198 EI Annotated Anodyne CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C)cc1 ZINC000082156944 EI Annotated Anodyne CCCCC(=O)N1N=C(c2cc(Cl)ccc2N)SC1(C)C ZINC000082157223 EI Annotated Anodyne Nc1nc(COC(=O)c2c(Cl)cc(Cl)cc2Cl)cs1 ZINC000082157287 EI Annotated Anodyne C=CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)OC1 ZINC000082157854 EI Annotated Anodyne C=CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(OC)cc2)OC1 ZINC000082157856 EI Annotated Anodyne COc1cccc(-c2nc(N=[N+]=[N-])c3cc(OC)c(OC)cc3n2)c1 ZINC000082158059 EI Annotated Mild COc1ccc(-c2nc(N=[N+]=[N-])c3cc(OC)c(OC)cc3n2)cc1 ZINC000082158060 EI Annotated Mild C=CC1=C(C(=O)NC(C)(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000082158404 EI Annotated Anodyne C=CC1=C(C(=O)NC(C)(C)C)[C@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000082158405 EI Annotated Anodyne CCCCc1ccc(-c2cc(N[C@@H](C)CC(=O)OCC)ncn2)cc1 ZINC000082160231 EI Annotated Anodyne CCCCc1ccc(-c2cc(N[C@H](C)CC(=O)OCC)ncn2)cc1 ZINC000082160232 EI Annotated Anodyne CCOc1ccccc1CNc1cc(-c2ccc(F)cc2F)ncn1 ZINC000082160317 EI Annotated Anodyne O=[N+]([O-])c1cccc(-c2cc(N[C@H]3CCc4ccccc43)ncn2)c1 ZINC000082160491 EI Annotated Bother O=[N+]([O-])c1cccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c1 ZINC000082160495 EI Annotated Bother CCOc1ccccc1CNc1cc(-c2cc(F)ccc2F)ncn1 ZINC000082161046 EI Annotated Anodyne CCc1ccc(-c2cc(NCc3cc(OC)cc(OC)c3)ncn2)cc1 ZINC000082161090 EI Annotated Anodyne COc1ccc(OC)c(-c2cc(NC3CCC(C)CC3)ncn2)c1 ZINC000082161438 EI Annotated Anodyne CCOc1ccc(-c2cc(NC3Cc4ccccc4C3)ncn2)cc1 ZINC000082161768 EI Annotated Anodyne COc1cccc(CNc2cc(-c3cc(C)ccc3C)ncn2)c1OC ZINC000082161797 EI Annotated Anodyne CC(=O)c1cccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c1 ZINC000082162153 EI Annotated Anodyne CC(=O)c1cccc(-c2cc(N[C@H]3CCc4ccccc43)ncn2)c1 ZINC000082162158 EI Annotated Anodyne C[C@H](Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1)c1ccc(F)cc1 ZINC000082162163 EI Annotated Bother C[C@@H](Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1)c1ccc(F)cc1 ZINC000082162165 EI Annotated Bother COc1cc(CNc2cc(-c3cccc(C)c3C)ncn2)cc(OC)c1 ZINC000082162295 EI Annotated Anodyne CCc1ccc(-c2cc(NCc3cccc(OC)c3OC)ncn2)cc1 ZINC000082162303 EI Annotated Anodyne CN(CCCNc1cc(-c2ccccc2F)ncn1)c1ccccc1 ZINC000082162320 EI Annotated Anodyne Cc1ccc(-c2cc(NC3CCC(C)CC3)ncn2)cc1[N+](=O)[O-] ZINC000082162332 EI Annotated Bother CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccccc2)s1 ZINC000082162736 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccccc2)sc1C ZINC000082162738 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2)oc1C ZINC000082162900 EI Annotated Anodyne Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)o1 ZINC000082163059 EI Annotated Anodyne Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)oc1C ZINC000082164320 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)oc1C ZINC000082164379 EI Annotated Anodyne Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)o1 ZINC000082164524 EI Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164843 EI Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164845 EI Annotated Anodyne CCN(C)c1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082165172 EI Annotated Anodyne CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccc(F)cc2)s1 ZINC000082165181 EI Annotated Anodyne CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 ZINC000082165186 EI Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)o1 ZINC000082165333 EI Annotated Anodyne Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccco2)oc1C ZINC000082165459 EI Annotated Anodyne CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccco2)s1 ZINC000082165561 EI Annotated Anodyne CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccco2)s1 ZINC000082165627 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccco2)sc1C ZINC000082165629 EI Annotated Anodyne CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccco2)s1 ZINC000082165785 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccco2)sc1C ZINC000082165787 EI Annotated Anodyne Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)o1 ZINC000082165839 EI Annotated Anodyne Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)o1 ZINC000082165840 EI Annotated Anodyne Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)o1 ZINC000082165841 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccco2)oc1C ZINC000082165903 EI Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccco2)o1 ZINC000082166147 EI Annotated Anodyne CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 ZINC000082166446 EI Annotated Anodyne COc1ccc(OC)c(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c1 ZINC000082167833 EI Annotated Anodyne COc1ccc(OC)c(-c2cc(N[C@H]3CCc4ccccc43)ncn2)c1 ZINC000082167836 EI Annotated Anodyne Cc1cccc(-c2nc(N3CCCC3)ncc2-c2nc(C)c(C)o2)c1 ZINC000082173150 EI Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2-c2ncc(C)o2)c1 ZINC000082173309 EI Annotated Anodyne Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)o1 ZINC000082175301 EI Annotated Anodyne Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccccc2F)oc1C ZINC000082175494 EI Annotated Anodyne Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)o1 ZINC000082175676 EI Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 ZINC000082175952 EI Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 ZINC000082175953 EI Annotated Anodyne CCN(C)c1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 ZINC000082176201 EI Annotated Anodyne CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccccc2F)s1 ZINC000082176206 EI Annotated Anodyne CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 ZINC000082176208 EI Annotated Anodyne Cc1ccccc1-c1nc(N2CCCC2)ncc1-c1nc(C)c(C)o1 ZINC000082177347 EI Annotated Anodyne Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2C)o1 ZINC000082177424 EI Annotated Anodyne CCCCCn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 ZINC000082177925 EI Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 ZINC000082177929 EI Annotated Anodyne CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 ZINC000082177930 EI Annotated Anodyne CCCCCn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 ZINC000082177944 EI Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 ZINC000082177950 EI Annotated Anodyne CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 ZINC000082177953 EI Annotated Anodyne CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178707 EI Annotated Anodyne CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178709 EI Annotated Anodyne CCCc1nc2c(NCc3cccs3)ncnc2n1C[C@H](C)CC ZINC000082178892 EI Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 ZINC000082181459 EI Annotated Anodyne CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 ZINC000082181460 EI Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 ZINC000082181511 EI Annotated Anodyne CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 ZINC000082181512 EI Annotated Anodyne CCCCCn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 ZINC000082185770 EI Annotated Anodyne CCCCCNc1ncnc2c1nc(C1CCCCC1)n2CCOC ZINC000082186499 EI Annotated Anodyne CC[C@@H](C)Cn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 ZINC000082186602 EI Annotated Anodyne CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 ZINC000082186604 EI Annotated Anodyne Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)c(C)c1 ZINC000082191644 EI Annotated Anodyne Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)cc1C ZINC000082191649 EI Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000082203897 EI Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000082203899 EI Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082203901 EI Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082203904 EI Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 ZINC000082214711 EI Annotated Anodyne Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)o1 ZINC000082219678 EI Annotated Anodyne CCCc1nc2c(NCc3cccs3)ncnc2n1C[C@@H](C)CC ZINC000082221717 EI Annotated Anodyne C#CCOc1ccc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1 ZINC000082230167 EI Annotated Mild CC(C)=CCn1c2ccc(Br)c(=O)c-2nc2ccccc21 ZINC000083920701 EI Annotated Bother in-vitro CC(/C=C/C(=O)C1=C(O)[C@@H](C)N(C)C1=O)=C\c1ccc2ccccc2c1 ZINC000084403445 EI Annotated Mild C[n+]1c(-c2ccccc2)cc2/c(=C\c3ccccc3)c3ccccc3n21 ZINC000084459814 EI Annotated Anodyne CCOc1cc(/C(=C/C#N)c2cc(OC)cc(OC)c2)ccc1OC ZINC000084544553 EI Annotated Reactive O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ncncc12 ZINC000084564518 EI Annotated Bother COc1cc2c(cc1OC)-c1c(-c3cccc(Cl)c3)ncn1CC2 ZINC000084587474 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@H]2CC[C@@H]1O2 ZINC000084602016 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@@H]2CC[C@H]1O2 ZINC000084602018 EI Annotated Anodyne CC(C)n1c(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21 ZINC000084603202 EI Annotated Mild CCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 ZINC000084603466 EI Annotated Anodyne CCCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 ZINC000084603469 EI Annotated Anodyne Clc1ncnc2c1ncn2[C@H]1C[C@H]2C[C@@H]1C[C@@H]2OC1CCCCC1 ZINC000084603470 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@]1(CO1)C3 ZINC000084603698 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@]1(CO1)C3 ZINC000084603700 EI Annotated Anodyne CN(C)C(=O)[C@@H]1CC(c2ccc3ccc4cccc5ccc2c3c45)=NO1 ZINC000084604864 EI Annotated Bother CN(C)C(=O)[C@H]1CC(c2ccc3ccc4cccc5ccc2c3c45)=NO1 ZINC000084604866 EI Annotated Bother COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@H]2CC[C@@H]1O2 ZINC000084604920 EI Annotated Anodyne COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@@H]2CC[C@H]1O2 ZINC000084604922 EI Annotated Anodyne CC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccncc1 ZINC000084615911 EI Annotated Anodyne COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@@H]1O2 ZINC000084616090 EI Annotated Anodyne Cc1ccccc1-c1c(=O)ncn2nc(Sc3ccccc3)ccc12 ZINC000084616455 EI Annotated Anodyne S=C(/N=C(\Nc1ccccc1)c1ccccc1)NCc1ccccn1 ZINC000084617122 EI Annotated Mild O=C(/C(=C/c1ccco1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000084618630 EI Annotated Mild Nc1cc(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000084632134 EI Annotated Anodyne O=C(CCc1ccc(Cc2ccccc2)cc1)OC[C@@H]1CCCCO1 ZINC000084632156 EI Annotated Anodyne O=C(CCc1ccc(Cc2ccccc2)cc1)OC[C@H]1CCCCO1 ZINC000084632159 EI Annotated Anodyne c1ccc(/N=C(/N=c2/nc3ccccn3s2)c2ccccc2)cc1 ZINC000084632276 EI Annotated Mild CN(C)c1ccc(Nc2cc(=O)oc3c4c(ccc23)CCCC4)cc1 ZINC000084633950 EI Annotated Anodyne COc1ccc(/C=C2\SC(c3cccc(Cl)c3)=NC2=O)cc1 ZINC000084651920 EI Annotated Clean C[C@H]([C@@H](O)c1cccc(F)c1)N1CC=C(Cc2ccccc2)CC1 ZINC000084654909 EI Annotated Anodyne C[C@@H]([C@@H](O)c1cccc(F)c1)N1CC=C(Cc2ccccc2)CC1 ZINC000084654911 EI Annotated Anodyne COc1cc2c(cc1O)[nH]c1c(CC=C(C)C)c(O)c(C=O)cc12 ZINC000084655232 EI Annotated Anodyne C=C(N/N=C/c1cn[nH]c1-c1ccccc1)[C@H](C)Cc1ccccc1 ZINC000084668756 EI Annotated Mild Cc1nn2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(C)nc2s1 ZINC000084668876 EI Annotated Anodyne CCCc1nc2ccccc2c(SCCC#N)c1C(=O)OCC ZINC000084669669 EI Annotated Mild OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(F)c(F)c1 ZINC000084669703 EI Annotated Anodyne CCCCCCCC[C@H]1[C@@H]2C[C@@H]3[C@H]4[C@@H]2[C@@H]1C=C[C@H]4C(C(=O)O)=C[C@@H]3O ZINC000084671593 EI Annotated Mild CCCCCCCC[C@H]1[C@@H]2C[C@H]3[C@H](O)C=C(C(=O)O)[C@@H]4C=C[C@H]1[C@H]2[C@@H]43 ZINC000084671594 EI Annotated Mild Cn1c2ccccc2c2cc([C@@H]3CC(c4ccccn4)=NN3)ccc21 ZINC000084687376 EI Annotated Anodyne Cn1c2ccccc2c2cc([C@H]3CC(c4ccccn4)=NN3)ccc21 ZINC000084687377 EI Annotated Anodyne COc1ccc(SC[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000084687480 EI Annotated Anodyne COc1ccc(SC[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000084687481 EI Annotated Anodyne N#Cc1ccc2[nH]c(Nc3ccc(-c4cccnc4F)cc3)nc2c1 ZINC000084688072 EI Annotated Mild Cc1c(C)n(C[C@H](O)CSc2ccc(O)cc2)c2ccccc12 ZINC000084688134 EI Annotated Anodyne Cc1c(C)n(C[C@@H](O)CSc2ccc(O)cc2)c2ccccc12 ZINC000084688135 EI Annotated Anodyne Cc1c(C)n(C[C@H](O)CSc2ccccc2O)c2ccccc12 ZINC000084688136 EI Annotated Anodyne Cc1c(C)n(C[C@@H](O)CSc2ccccc2O)c2ccccc12 ZINC000084688137 EI Annotated Anodyne CCc1cccc2ccn(C[C@H](O)CSc3ccc(F)cc3)c12 ZINC000084688383 EI Annotated Anodyne CCc1cccc2ccn(C[C@@H](O)CSc3ccc(F)cc3)c12 ZINC000084688384 EI Annotated Anodyne CC[C@@H](C)c1cc([C@H](O)C(F)(F)F)cc(Br)c1O ZINC000084688424 EI Annotated Anodyne CC[C@H](C)c1cc([C@H](O)C(F)(F)F)cc(Br)c1O ZINC000084688425 EI Annotated Anodyne CC[C@@H](C)c1cc([C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000084688426 EI Annotated Anodyne CC[C@H](C)c1cc([C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000084688427 EI Annotated Anodyne C#CCN1C(=O)N[C@@](CCCCCCC)(c2cccc(Cl)c2)C1=O ZINC000084688532 EI Annotated Mild C#CCN1C(=O)N[C@](CCCCCCC)(c2cccc(Cl)c2)C1=O ZINC000084688533 EI Annotated Mild C=CCCCCC[C@@]1(c2cccc(Cl)c2)NC(=O)N(CC=C)C1=O ZINC000084690491 EI Annotated Mild C=CCCCCC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC=C)C1=O ZINC000084690492 EI Annotated Mild NC1(c2ccc(-c3c(-c4ccccc4)ncc4nccn34)cc2)CCC1 ZINC000084690518 EI Annotated Anodyne CC[C@@H](C)CCO[C@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 ZINC000084690540 EI Annotated Reactive CC[C@H](C)CCO[C@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 ZINC000084690541 EI Annotated Reactive CC[C@@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 ZINC000084690542 EI Annotated Reactive CC[C@H](C)CCO[C@@H]1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3 ZINC000084690543 EI Annotated Reactive NC1(c2ccc(-c3c(-c4ccccc4)ccc4ncnn34)cc2)CCC1 ZINC000084704294 EI Annotated Anodyne Clc1ccc(Cl)c2c1nc(OCc1ccccc1)c1nncn12 ZINC000084705415 EI Annotated Anodyne NC1(c2ccc(-c3c(-c4ccccc4)ccn4ncnc34)cc2)CCC1 ZINC000084705477 EI Annotated Anodyne CCCCCCCC(F)(F)CCCCC[C@H](O)C[C@H](O)[C@H](C)N ZINC000084705946 EI Annotated Mild CCc1cccc2ccn(C[C@H](O)CSc3ccccc3O)c12 ZINC000084706230 EI Annotated Anodyne CCc1cccc2ccn(C[C@@H](O)CSc3ccccc3O)c12 ZINC000084706234 EI Annotated Anodyne CCc1cccc2ccn(C[C@H](O)CSc3ccc(OC)cc3)c12 ZINC000084706236 EI Annotated Anodyne CCc1cccc2ccn(C[C@@H](O)CSc3ccc(OC)cc3)c12 ZINC000084706239 EI Annotated Anodyne CCOCn1c(O)nc(=S)c(C)c1Sc1cccc(Cl)c1 ZINC000084707867 EI Annotated Anodyne NC1(c2ccc(-c3nn4ccnc4cc3-c3ccccc3)cc2)CCC1 ZINC000084708953 EI Annotated Anodyne NC1(c2ccc(-c3ncc4nccn4c3-c3ccccc3)cc2)CCC1 ZINC000084709017 EI Annotated Anodyne CC(=O)N1c2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]2[C@@H]1c1cccnc1 ZINC000084710727 EI Annotated Clean Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccccc3)c(=O)oc12 ZINC000084724727 EI Annotated Anodyne COc1ccc([C@@H](C#N)c2c[nH]c3ccccc23)c2[nH]cc(CC#N)c12 ZINC000084724731 EI Annotated Mild OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(Cl)cc1 ZINC000084729973 EI Annotated Anodyne Cc1c(-c2cc(Cl)cc3c2OC(C)(C)C3=O)ccc(N)c1C#N ZINC000084739029 EI Annotated Mild O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)(F)F)cc1 ZINC000084742171 EI Annotated Bother Cn1cc(-c2noc(/C=C3/CCN4CCCC[C@@H]4C3)n2)c2ccccc21 ZINC000084742578 EI Annotated Anodyne COc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1Cl ZINC000084758230 EI Annotated Mild O[C@@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000084758430 EI Annotated Anodyne O[C@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000084758431 EI Annotated Anodyne COc1ccc2/c(=N/N=C/c3ccccc3Cl)cc(C)[nH]c2c1 ZINC000084854158 EI Annotated Mild CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Cl ZINC000084904187 EI Annotated Anodyne CN1[C@H]2CC[C@@H]1/C(=C\c1ccsc1)C(=O)/C2=C\c1ccsc1 ZINC000008548321 EI Annotated Mild C[C@@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000008553136 EI Annotated Reactive C[C@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 ZINC000008553137 EI Annotated Reactive CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000008578925 EI Annotated Anodyne CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000008586228 EI Annotated Anodyne Cc1ccc(OC(=O)CSc2nnc(-c3cccs3)o2)cc1C ZINC000008587369 EI Annotated Anodyne Cc1ccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCCC4)c(C)c1 ZINC000008587467 EI Annotated Anodyne N#Cc1ccc(/N=C(\O)c2cc3c(ccc4ccccc43)oc2=O)cc1 ZINC000008661717 EI Annotated Mild Cc1cc(/N=C(\NC2CC2)c2ccccc2F)n(-c2ccccc2)n1 ZINC000008664835 EI Annotated Mild CCNC(=O)O/N=C(/C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000008672338 EI Annotated Mild N#CCN1C(S)=N/C(=N\c2cccc(Cl)c2)C12CCCCC2 ZINC000008672553 EI Annotated Mild Cc1ccc(C)c(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)c1 ZINC000008673273 EI Annotated Anodyne C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)c1ccc2ccccc2c1 ZINC000008687755 EI Annotated Anodyne C=CC[C@](Nc1ccc(OC)cc1)(C(=O)OCC)c1ccccc1 ZINC000008689899 EI Annotated Mild C=CC[C@@](Nc1ccc(OC)cc1)(C(=O)OCC)c1ccccc1 ZINC000008689900 EI Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(C3CCCCC3)nc21 ZINC000008716809 EI Annotated Clean aggregator CCOc1c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2nn1CC ZINC000008801877 EI Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@H](C)[C@]21C ZINC000085487462 EI Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCCCC/C=C/CCC(=O)O)[C@@H]1C=C(CO)CC1 ZINC000085489239 EI Annotated Mild in-vitro biogenic O=C(O)C[C@H](/C=C/CCCCCCCC[C@@H]1C=C(CO)CC1)CO ZINC000085489249 EI Annotated Anodyne in-vitro biogenic CCCC[C@H](N)CCCCCC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 ZINC000085510411 EI Annotated Anodyne in-vitro biogenic CCCC[C@H](O)CCCCCC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 ZINC000085510433 EI Annotated Anodyne in-vitro biogenic C[C@H](C=O)CCCCCCCCC[C@H](/C=C/C(=O)O)CCCO ZINC000085510602 EI Annotated Mild in-vitro biogenic C=C(C)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](OC(C)=O)C[C@H]1C ZINC000085510657 EI Annotated Mild in-vitro biogenic CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@H](N)C2 ZINC000085543291 EI Annotated Anodyne in-vitro biogenic C=C1C=C2[C@H](CCO)C[C@@H]3[C@@H](CO)CCC[C@@H]3[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545214 EI Annotated Mild in-vitro biogenic C=C1C=C2[C@H](CCO)C[C@@H](CCO)[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545230 EI Annotated Mild in-vitro biogenic C=C1C=C2[C@@H](CCO)C[C@]3(CCO)CCC[C@@]2([C@H]2[C@@H]1C2(C)C)[C@H]3C ZINC000085545265 EI Annotated Mild in-vitro biogenic C[C@@]1(c2ccc(C=O)cc2)CSSC[C@H]2CCC[C@@]3(C2)CN3C1 ZINC000085547909 EI Annotated Reactive in-vitro biogenic CN[C@@H]1C=C[C@@H]([C@]23CC[C@@H](C)[C@@]4(CCC(C)=C4C2)C3(C)C)N2C[C@@H]12 ZINC000085548286 EI Annotated Anodyne in-vitro biogenic CNC[C@H]1CN1[C@@H]1C=CC[C@]2(C)[C@@]34CCC(C)=C3C[C@@]12CC[C@H]4C ZINC000085548288 EI Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](Cc2ccccc2)[C@@H]2CC3=C(C(=O)O)[C@@H](O)C[C@@]31C2(C)C ZINC000085549088 EI Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2CC3=C4CCSSCC[C@H]([C@@H](CO)C2)[C@@]31CC4=O ZINC000085549703 EI Annotated Reactive in-vitro biogenic CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1CCC(C)C ZINC000085597515 EI Annotated Anodyne in-vitro biogenic CCCCCc1c(CCC(=O)C[C@H](O)CCC)ccc(O)c1OC ZINC000085597519 EI Annotated Anodyne in-vitro biogenic C#C/C=C\C[C@H]1O[C@@H]([C@H](Br)CC)CC=CC[C@H]1Cl ZINC000085598718 EI Annotated Reactive C#C/C=C/C[C@H]1O[C@@H]([C@H](Br)CC)CC=CC[C@H]1Cl ZINC000085599985 EI Annotated Reactive C#C/C=C\C[C@@H]1O[C@@H](CC)[C@@H](Br)C/C=C\C[C@@H]1Cl ZINC000085599987 EI Annotated Reactive C=C(C)[C@@H](CC/C(C)=C/COc1ccc(/C=C\CO)cc1OC)OO ZINC000085613428 EI Annotated Reactive C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](CC[C@@H]12)C3 ZINC000085614635 EI Annotated Anodyne in-man C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000085614637 EI Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000085614644 EI Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 ZINC000085614649 EI Annotated Anodyne in-man endogenous CC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC2CCCC2)c1)CCO ZINC000085625196 EI Annotated Mild in-vitro biogenic CCCCCCC/C=C/[C@@H]1O[C@H]2[C@H](O)C=C3C[C@@H](O)C[C@H]3[C@@H]2C=C1C ZINC000085640068 EI Annotated Mild CC/C=C(C)/C=C/CCC[C@@]1(OC)C[C@H](C)[C@@H](CC(=O)O)OO1 ZINC000085640505 EI Annotated Reactive CCCCCCC[C@@H]1C=CC(C)=C[C@@H]2C(=O)[C@@]1(O)C=C1C[C@H](O)C[C@H]12 ZINC000085646403 EI Annotated Mild CO[C@@H]1OC2=CC3=CCC[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)C2=C1C ZINC000085691271 EI Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000085693066 EI Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CC(=O)c1ccoc1)[C@]32C ZINC000085720936 EI Annotated Anodyne C[C@H]1COc2c(O)c3c(c(O)c21)C(=O)C(O)=C1C(C)(C)CCC[C@]13C ZINC000085723140 EI Annotated Mild C[C@H]1COc2c(O)c3c(c(O)c21)C(=O)C(O)=C1C(C)(C)CCC[C@@]13C ZINC000085723142 EI Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C/C=C/C(C)C)[C@@H](OC)OC[C@@H]12 ZINC000085725217 EI Annotated Mild CC(C)COC(=S)SCCSC(=S)OCC(C)C ZINC000085733790 EI Annotated Anodyne CC1(C)O[C@](C)(/C=C/Cl)[C@H](Br)C[C@@H]1Br ZINC000085735219 EI Annotated Reactive Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(COO)O2 ZINC000085735402 EI Annotated Reactive CCC(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](OC(C)=O)[C@H](C)[C@]21C ZINC000085767784 EI Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@]21C ZINC000085767810 EI Annotated Anodyne CC/C=C(C)\C=C\CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)O)OO1 ZINC000085772498 EI Annotated Reactive C#C/C=C/C[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1Cl ZINC000085774521 EI Annotated Reactive CC(=O)C1=C[C@H]2C(C)(C)CCC[C@]2(C)[C@](O)(CCc2ccoc2)O1 ZINC000085797275 EI Annotated Mild CC(C)=CCC/C(C)=C/CC1=C(O)C(=O)C(O)=C(C(=O)C(C)C)C1=O ZINC000085830557 EI Annotated Mild C#C/C=C\C[C@@H](Cl)[C@H]1CC=CC[C@H]([C@H](Br)CC)O1 ZINC000085838986 EI Annotated Reactive C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O ZINC000085841810 EI Annotated Anodyne C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O ZINC000085841817 EI Annotated Anodyne in-vitro biogenic C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31)CC(=O)O ZINC000085842350 EI Annotated Anodyne C=C1C[C@@]23CC[C@H](C(C)(C)C(=O)O)[C@@](C)(CC(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000085852812 EI Annotated Mild in-vitro biogenic COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@@H]12 ZINC000085867978 EI Annotated Anodyne CCCCCCCC[C@@H]1C[C@H](OC)Cc2[nH]c(C)c(OC)c(=O)c21 ZINC000085886077 EI Annotated Mild C=C1[C@H]2COC(=O)/C(=C\C)[C@@H]2C(C(C)C)=C[C@H]1OC(=O)/C=C(\C)CC ZINC000085912415 EI Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C=C(C(C)C)[C@H]2/C(=C/C)C(=O)OC[C@H]12 ZINC000085912416 EI Annotated Mild in-man C=C1[C@H]2COC(=O)/C(=C\C)[C@H]2C(C(C)C)=C[C@H]1OC(=O)/C=C(\C)CC ZINC000085912417 EI Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C=C(C(C)C)[C@@H]2/C(=C/C)C(=O)OC[C@H]12 ZINC000085912419 EI Annotated Mild in-man C[C@@H]1CC[C@@]2(C)C(=CC[C@@]2(C)CO)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000085919165 EI Annotated Anodyne C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)C/C=C/C(C)(C)OO ZINC000085932723 EI Annotated Reactive CC1(C)[C@@H](Br)[C@@H](O)CC2=C[C@]3(C)CC[C@@]21C[C@@H]3Cl ZINC000085948760 EI Annotated Reactive in-vitro CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C ZINC000085957381 EI Annotated Anodyne in-man CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@@H]3C[C@]12C=C3C ZINC000085957384 EI Annotated Anodyne in-man C/C=C(/C)C(=O)OC1=C(C)C(=O)C(O)=C([C@H](C)CCC=C(C)C)C1=O ZINC000085969902 EI Annotated Mild CC(C)=CCC[C@@H](C)C1=C(O)C(=O)C(C)=C(OC(=O)CC(C)C)C1=O ZINC000085969905 EI Annotated Mild CC1=C(c2cc(C(C)C)c(O)cc2C)C(=O)C(C(C)C)=C(O)C1=O ZINC000085972003 EI Annotated Mild in-man CC(=O)OCC[C@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000085975535 EI Annotated Anodyne C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3=O ZINC000085976729 EI Annotated Anodyne CCc1oc([C@H](C)C2=C(C)C(=O)[C@@H](C)[C@H](C(C)C)O2)c(C)c(=O)c1C ZINC000085979897 EI Annotated Mild CCc1oc([C@H](C)C2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C ZINC000085979901 EI Annotated Mild C#C/C=C/C[C@@H]1O/C(=C(\Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl ZINC000085980377 EI Annotated Reactive C/C1=C\CC[C@]2(C)C(=O)C(Cl)=C[C@@](C)(O)[C@H]2Cc2c(C)coc2C1 ZINC000085980870 EI Annotated Mild COc1ccc([C@@H]2O[C@H](C)[C@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 ZINC000085980896 EI Annotated Anodyne in-man COc1ccc([C@@H]2O[C@H](C)[C@H](c3ccc(OC)cc3)O[C@H]2C)cc1 ZINC000085980898 EI Annotated Anodyne in-man CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1cc(C(C)(C)O)c(O)cc12 ZINC000086004341 EI Annotated Mild COC1=C(C(C)C)C(=O)C(O)=C2C1=CC(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000086004432 EI Annotated Mild COC1=C(C(C)C)C(=O)C(O)=C2C1=C[C@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000086004575 EI Annotated Mild CC/C=C(C)/C=C/CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)O)OO1 ZINC000086025662 EI Annotated Reactive CC1=CC[C@H](C(C)(C)Cl)O[C@@H]1C(Br)Br ZINC000086036128 EI Annotated Reactive CC1=CC[C@@H](C(C)(C)Cl)O[C@@H]1C(Br)Br ZINC000086036132 EI Annotated Reactive CC1=CC[C@H](C(C)(C)Cl)O[C@H]1C(Br)Br ZINC000086036138 EI Annotated Reactive CC1=CC[C@@H](C(C)(C)Cl)O[C@H]1C(Br)Br ZINC000086036141 EI Annotated Reactive CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C(=O)OC2=O ZINC000086050350 EI Annotated Reactive C#C/C=C\C[C@@H]1O[C@@H](CC)[C@H](Br)C/C=C\C[C@@H]1Cl ZINC000086050451 EI Annotated Reactive C=C(C)[C@H](CC[C@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1)OO ZINC000086051714 EI Annotated Reactive CN(CCCCC(=O)O)c1ccc(/C=C/c2ccc(C#N)cc2)cc1 ZINC000087528587 EI Annotated Mild in-vitro C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CCOC1=O ZINC000087529357 EI Annotated Anodyne in-vitro OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccoc4)N=N[C@H]23)CC1 ZINC000087612926 EI Annotated Anodyne OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccoc4)N=N[C@@H]23)CC1 ZINC000087612927 EI Annotated Anodyne Cc1cn(-c2csc(Nc3ccc(Br)cc3)n2)c(C)n1 ZINC000087664145 EI Annotated Anodyne O=C1N/C(=N\c2nc3ccccc3s2)S/C1=C/c1ccccc1 ZINC000087722725 EI Annotated Mild Oc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N1CCCC1)CC2 ZINC000088261079 EI Annotated Anodyne Oc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N1CCCC1)CC2 ZINC000088261080 EI Annotated Anodyne Oc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N1CCCC1)CC2 ZINC000088261081 EI Annotated Anodyne Oc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N1CCCC1)CC2 ZINC000088261082 EI Annotated Anodyne OCc1c[nH]c(C(c2ccccc2)(c2ccccc2)[C@H]2C=CC=CC2)n1 ZINC000089202832 EI Annotated Anodyne OCc1c[nH]c(C(c2ccccc2)(c2ccccc2)[C@@H]2C=CC=CC2)n1 ZINC000089202835 EI Annotated Anodyne CCN1/C(=C/C=C/c2cc[n+]3c4c(cccc24)CC3)Oc2ccccc21 ZINC000089210571 EI Annotated Anodyne Cc1cc(-c2cccc3c2NCC3)c(F)c2c1NC(C)(C)[C@H](O)[C@H]2C ZINC000089210608 EI Annotated Anodyne Cc1cc(-c2cccc3c2NCC3)c(C#N)c2c1NC(C)(C)[C@H](O)[C@H]2C ZINC000089210611 EI Annotated Mild CC(C)Nc1nc(-c2ccco2)nc2ccc(/C=C\C(C)(C)O)cc12 ZINC000089455644 EI Annotated Anodyne CC(C)Nc1nc(-c2ccco2)nc2ccc(/C=C/C(C)(C)O)cc12 ZINC000089455645 EI Annotated Anodyne COc1ccc([C@@](O)(c2cccnc2)c2cc3ccccc3o2)cc1 ZINC000089464408 EI Annotated Anodyne COc1ccc([C@](O)(c2cccnc2)c2cc3ccccc3o2)cc1 ZINC000089464410 EI Annotated Anodyne O=c1cc(-c2ccc(C3=C4Cc5cc(O)ccc5[C@@H]4N=N3)cc2)cc[nH]1 ZINC000089469102 EI Annotated Anodyne O=c1cc(-c2ccc(C3=C4Cc5cc(O)ccc5[C@H]4N=N3)cc2)cc[nH]1 ZINC000089469104 EI Annotated Anodyne CCn1c(SC/C(O)=N/[C@@H](C)c2ccccc2C)nnc1C1CC1 ZINC000009155533 EI Annotated Mild CCn1c(SC/C(O)=N/[C@H](C)c2ccccc2C)nnc1C1CC1 ZINC000009155534 EI Annotated Mild CN(CCCNc1cnnc2c(Cl)cccc12)Cc1ccccc1 ZINC000009226039 EI Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\SC)[C@H]2C ZINC000090556783 EI Annotated Mild Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000009692038 EI Annotated Anodyne Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc(-c2cccc(Cl)c2)no1 ZINC000009721942 EI Annotated Anodyne Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(-c2cccc(Cl)c2)no1 ZINC000009721943 EI Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000095098780 EI Annotated Mild in-man biogenic C=C(C)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1(C)CCC(=O)OC)C(=C)C3=O ZINC000095099047 EI Annotated Mild in-vitro biogenic C=C[C@@]1(C)C[C@H]2CC[C@@]3(C)[C@@](C)(CC[C@@H](O)[C@]3(C)C=O)[C@]2(C)C[C@@H]1O ZINC000095486003 EI Annotated Mild in-vitro biogenic COc1cc([C@H]2COc3cc4occc4cc3C2=O)c(OC)cc1C ZINC000095486013 EI Annotated Anodyne in-vitro biogenic C=C1CC[C@@]2(C)C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@H](O)OO1 ZINC000095486150 EI Annotated Reactive in-vitro biogenic Cn1c2ccccc2c2ccc3c(c21)CN(Cc1ccccn1)CO3 ZINC000095539448 EI Annotated Anodyne CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 ZINC000095539817 EI Annotated Anodyne CC[C@@H](C)/N=C1/Sc2nc3ccc(C)cc3cc2CN1CCOC ZINC000095544734 EI Annotated Mild CC[C@H](C)/N=C1/Sc2nc3ccc(C)cc3cc2CN1CCOC ZINC000095544735 EI Annotated Mild O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1C1CCCCC1 ZINC000095552679 EI Annotated Bother CC[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1 ZINC000095553054 EI Annotated Anodyne CC1(C)CC(=O)C(C)(C)c2nnc(-c3cccc(C(F)(F)F)c3)nc21 ZINC000095553110 EI Annotated Anodyne COc1ccccc1CN[C@@H]1[C@H]2CCN[C@]1(c1ccccc1)CC=C2C ZINC000095553375 EI Annotated Anodyne CCCCCCCC[C@H]1C[C@@](CC)(c2ccncc2)C(=O)NC1=O ZINC000095554275 EI Annotated Mild O=C1C=C(COc2cc(Cl)cc(Cl)c2)CN1Cc1ccccc1 ZINC000095554325 EI Annotated Anodyne O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1-c1ccccc1 ZINC000095554980 EI Annotated Anodyne Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccccc2)nn1 ZINC000095555216 EI Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccccc2)nn1 ZINC000095555217 EI Annotated Anodyne CCC(=O)c1cc2c(OC(C)=O)c3ccccc3c(OC(C)=O)c2o1 ZINC000095555244 EI Annotated Anodyne O=C1CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc2N1 ZINC000095555711 EI Annotated Anodyne Cc1ncsc1[C@@H](c1ccccc1)n1cc(Cc2ccccc2)nn1 ZINC000095556292 EI Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(Cc2ccccc2)nn1 ZINC000095556293 EI Annotated Anodyne N#Cc1ccc(/C=C/c2cc3c(o2)C(=O)c2ccccc2C3=O)cc1 ZINC000095557382 EI Annotated Mild Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccsc2)nn1 ZINC000095557679 EI Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccsc2)nn1 ZINC000095557680 EI Annotated Anodyne N#Cc1ccc(SCc2ccc(Br)cc2)cc1C#N ZINC000095558437 EI Annotated Mild CC(C)c1cc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c(C(C)C)c1 ZINC000095558621 EI Annotated Bother CC(C)c1cc2c(c(O)c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)C2 ZINC000095559021 EI Annotated Clean N#Cc1ccccc1-c1cc(-c2cccnc2)cn(-c2ccccc2)c1=O ZINC000095559494 EI Annotated Mild Nc1nc(OCC2CCCCC2)c(N=O)c(OCC2CCCCC2)n1 ZINC000095559662 EI Annotated Anodyne Cc1ccc(-c2c[nH]/c(=N\C(=O)c3c[nH]cc3-c3ccccc3)[nH]2)cc1 ZINC000095559733 EI Annotated Anodyne Cc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)[nH]n2)n1 ZINC000095561128 EI Annotated Anodyne Cc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)[nH]n2)n1 ZINC000095562048 EI Annotated Anodyne CCCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12 ZINC000095562521 EI Annotated Anodyne Cc1cc(NCc2cccnc2)n2nc(-c3ccc(F)cc3)c(C)c2n1 ZINC000095562732 EI Annotated Anodyne COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000095562742 EI Annotated Anodyne Cc1ccc(-c2coc(NC(=O)c3n[nH]cc3-c3ccccc3)n2)cc1 ZINC000095562775 EI Annotated Anodyne O=C(Oc1ccccc1N1CCCC1)c1coc(-c2ccccc2)n1 ZINC000095563929 EI Annotated Anodyne CCCCc1nc(Cl)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)[nH]1 ZINC000095563968 EI Annotated Clean CCCN(C)c1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1 ZINC000095564664 EI Annotated Mild CCN(CC)c1ccc(/C=C2\Cc3cc(OC)c(O)cc3C2=O)cc1 ZINC000095564741 EI Annotated Mild COc1ccc(-c2c(-c3ccsc3)oc3c2[C@@H](O)CCC3)cn1 ZINC000095564822 EI Annotated Anodyne COc1ccc(-c2c(-c3ccsc3)oc3c2[C@H](O)CCC3)cn1 ZINC000095564823 EI Annotated Anodyne Cc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)cn1 ZINC000095565994 EI Annotated Anodyne CC(C)[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 ZINC000095566593 EI Annotated Anodyne CC(C)[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 ZINC000095566594 EI Annotated Anodyne CC(C)[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(Cl)cc2)O1 ZINC000095566595 EI Annotated Anodyne CC(C)[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(Cl)cc2)O1 ZINC000095566596 EI Annotated Anodyne CC(C)C[C@@H]1O[C@H](CCc2ccccc2)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000095567145 EI Annotated Anodyne CC(C)C[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](CCc2ccccc2)O1 ZINC000095567190 EI Annotated Anodyne C[C@@H]1O[C@H](CCc2cccc(Cl)c2)CC2=C1C(=O)OC(C)(C)O2 ZINC000095567545 EI Annotated Anodyne CC(C)(C)[C@@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@@H]2OCCCO ZINC000095567591 EI Annotated Anodyne CC(C)(C)[C@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@@H]2OCCCO ZINC000095567592 EI Annotated Anodyne COc1cccc(-c2nc3nc(C)cc(C)n3c2NC2CCCC2)c1 ZINC000095567916 EI Annotated Anodyne CCO[C@@H]1CCCc2oc(-c3ccc(N(C)C)cc3)c(C(=O)OC)c21 ZINC000095568081 EI Annotated Anodyne CCO[C@H]1CCCc2oc(-c3ccc(N(C)C)cc3)c(C(=O)OC)c21 ZINC000095568082 EI Annotated Anodyne O=c1oc(=S)oc2c1[C@H](c1ccc(Cl)cc1)O[C@H](C1CC1)C2 ZINC000095568993 EI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)O[C@@H](C1CCCCC1)C2 ZINC000095569403 EI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)O[C@@H](C1CCCCC1)C2 ZINC000095569404 EI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)O[C@H](C1CCCCC1)C2 ZINC000095569405 EI Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)O[C@H](C1CCCCC1)C2 ZINC000095569406 EI Annotated Anodyne CC(C)C[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](CCc2ccccc2)O1 ZINC000095570099 EI Annotated Anodyne O=C1CCC[C@@H]2C=C[C@H](c3ccc(Br)cc3)[C@H]3CCN1[C@H]23 ZINC000095570188 EI Annotated Anodyne CC(C)C[C@@H]1O[C@H](CCc2ccccc2)CC2=C1C(=O)OC(C)(C)O2 ZINC000095570395 EI Annotated Anodyne CCO[C@@H]1CCCc2oc(-c3ccc(OC)cc3)c(C#CCCO)c21 ZINC000095570661 EI Annotated Mild CCO[C@H]1CCCc2oc(-c3ccc(OC)cc3)c(C#CCCO)c21 ZINC000095570662 EI Annotated Mild COc1ccc(-c2oc3c(c2C#CC(C)(C)O)[C@@H](OC)CCC3)cc1 ZINC000095570740 EI Annotated Mild COc1ccc(-c2oc3c(c2C#CC(C)(C)O)[C@H](OC)CCC3)cc1 ZINC000095570741 EI Annotated Mild CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 ZINC000095571704 EI Annotated Anodyne C/C(COc1ccccc1)=N\N=c1\scc(-c2ccccc2)n1C ZINC000095572889 EI Annotated Mild O=C(O)C[C@H](CC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1 ZINC000095573384 EI Annotated Anodyne O=C(O)C[C@@H](CC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1 ZINC000095573385 EI Annotated Anodyne COc1cc2snc(-c3ccc(NC(C)C)nc3)c2cc1OC ZINC000095573737 EI Annotated Anodyne C/C(=N/N=c1/[nH]c(-c2ccc(F)cc2F)cs1)c1cccs1 ZINC000095574193 EI Annotated Mild NCCCNc1c2c3ccccc3nc-2oc2ccc(Cl)cc12 ZINC000095574738 EI Annotated Bother N=C1Sc2cc(-c3ccc4ncccc4c3)ccc2C2=NCCCN12 ZINC000095574892 EI Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000095574896 EI Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCC[C@H]23)cc1C(F)(F)F ZINC000095574916 EI Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)cc1C(F)(F)F ZINC000095574917 EI Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)cc1C(F)(F)F ZINC000095574918 EI Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCC[C@@H]23)cc1C(F)(F)F ZINC000095574919 EI Annotated Bother C/C(=N/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1 ZINC000095575457 EI Annotated Mild COc1cc(Nc2cccc3c2nc(C)n3C)ccc1-n1cnc(C)c1 ZINC000095576377 EI Annotated Anodyne O[C@H](Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl ZINC000095576772 EI Annotated Anodyne O[C@@H](Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl ZINC000095576773 EI Annotated Anodyne CCCn1nc(C(F)(F)F)cc1/C(CSc1ccccc1)=N/O ZINC000095578640 EI Annotated Mild CCC[C@@H](C)Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 ZINC000095579669 EI Annotated Anodyne CCC[C@H](C)Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 ZINC000095579670 EI Annotated Anodyne COc1cccc2c1CCc1cc(Nc3ccccc3N)ccc1C2=O ZINC000095579999 EI Annotated Anodyne O=C1c2ccc(Sc3ccccc3)cc2C(=O)c2cc(O)c(O)cc21 ZINC000095580214 EI Annotated Clean O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(C(F)(F)F)c1 ZINC000095580591 EI Annotated Bother COC(=O)c1ccc(Sc2c(C(=O)O)[nH]c3cccc(C)c23)cc1 ZINC000095580731 EI Annotated Anodyne O[C@@H](CC1c2ccccc2Sc2ccccc21)CN1CCCC1 ZINC000095580770 EI Annotated Anodyne O[C@H](CC1c2ccccc2Sc2ccccc21)CN1CCCC1 ZINC000095580771 EI Annotated Anodyne Cc1ccc2c(Sc3ccc(C(=O)O)cc3)c(C(=O)O)[nH]c2c1 ZINC000095580813 EI Annotated Anodyne C=C(c1ccc2c(c1)c(C#N)cn2C)c1ccc(OC)c(OC)c1OC ZINC000095580906 EI Annotated Mild O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)[C@@H](O)/C=C/c1ccccc1 ZINC000095581813 EI Annotated Anodyne O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)[C@H](O)/C=C/c1ccccc1 ZINC000095581814 EI Annotated Anodyne Cc1ccc(-c2cs/c(=N/C(=O)c3cccs3)n2C)c(C)c1 ZINC000095582495 EI Annotated Anodyne COc1c2ccccc2nc2cc(I)ccc12 ZINC000095585458 EI Annotated Bother Cc1cccc2[nH]c(C(=O)O)c(Sc3ccc([N+](=O)[O-])cc3)c12 ZINC000095585654 EI Annotated Bother COc1ccc([C@@H](C)c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000095585870 EI Annotated Anodyne COc1ccc([C@H](C)c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000095585871 EI Annotated Anodyne CC(C)N1CC[C@H](O/N=C/c2ccccc2OCc2ccccc2)C1 ZINC000095585906 EI Annotated Mild CC(C)N1CC[C@@H](O/N=C/c2ccccc2OCc2ccccc2)C1 ZINC000095585907 EI Annotated Mild CCCCCCCCC[S@@](=O)C1=CC(=O)c2ccccc2C1=O ZINC000095586431 EI Annotated Mild CCCCCCCCC[S@](=O)C1=CC(=O)c2ccccc2C1=O ZINC000095586432 EI Annotated Mild O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1CN2CCC1CC2 ZINC000095586596 EI Annotated Anodyne O=c1cc(-c2ccccc2)c2ccccc2n1C[C@H]1CN2CCC1CC2 ZINC000095586597 EI Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 ZINC000095587827 EI Annotated Anodyne CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1Cl ZINC000095588801 EI Annotated Anodyne O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccc4c(c1)CCCC4)(C3)C2)NO ZINC000095589136 EI Annotated Bother Cc1cccc(/C(=N\NC(=S)Nc2ccccc2)c2ccccc2)n1 ZINC000095589377 EI Annotated Mild COc1ccc(CNc2ccc3c(Cl)c(OC)oc(=O)c3c2)cc1 ZINC000095589675 EI Annotated Anodyne COc1oc(=O)c2cc(Nc3cccc([N+](=O)[O-])c3)ccc2c1Cl ZINC000095590127 EI Annotated Bother COc1oc(=O)c2cc(NCCCc3ccccc3)ccc2c1Cl ZINC000095591949 EI Annotated Anodyne CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(C#N)cc3)c2O)O1 ZINC000095592891 EI Annotated Mild N#C[C@H]1c2ccccc2C(=N)C(C#N)(C#N)[C@H]1c1ccc(Cl)cc1 ZINC000095592925 EI Annotated Anodyne N#C[C@@H]1c2ccccc2C(=N)C(C#N)(C#N)[C@H]1c1ccc(Cl)cc1 ZINC000095592926 EI Annotated Anodyne CC(C)Sc1nnc(CN(C)c2ccccc2)n1-c1ccccc1 ZINC000095593295 EI Annotated Anodyne COc1ccc(N(C)c2nc(Cl)ccc2C(=O)OC(C)C)cc1 ZINC000095593667 EI Annotated Anodyne CN(c1ccc(OC(F)(F)F)cc1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000095594083 EI Annotated Bother COCc1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1 ZINC000095594510 EI Annotated Anodyne COc1cc2c3c(nccc3c1Br)-c1ccccc1C2=O ZINC000095594797 EI Annotated Anodyne COc1cc2c3c(ncc(Br)c3c1)-c1ccccc1C2=O ZINC000095594890 EI Annotated Anodyne O=[N+]([O-])c1c(Nc2cc(F)cc(C(F)(F)F)c2)ccc2nonc12 ZINC000095596179 EI Annotated Bother COc1ccc2c(c1)oc1c(Nc3ccc(N(C)C)cc3)ncnc12 ZINC000095596259 EI Annotated Anodyne CSc1ccc(SCC2=C(O)C(=O)c3ccccc3C2=O)cc1 ZINC000095596278 EI Annotated Mild CCCCNC(=O)c1cc(Sc2ccc(C(C)C)cc2)c[nH]c1=O ZINC000095596511 EI Annotated Anodyne Cc1ccc(/C(=N\NC(=S)Nc2ccccc2)c2ccccn2)cc1 ZINC000095596608 EI Annotated Mild CCOC(=O)/C=C/c1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 ZINC000095597141 EI Annotated Anodyne CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(O)cc2)cc1 ZINC000095597155 EI Annotated Anodyne NC(N)=NCc1cccc2c(-c3ccc(C(F)(F)F)cc3)cccc12 ZINC000095597700 EI Annotated Mild Cc1nc2ccccc2n1[C@@H](c1cccnc1)c1nc2ccccc2[nH]1 ZINC000095598867 EI Annotated Anodyne Cc1nc2ccccc2n1[C@H](c1cccnc1)c1nc2ccccc2[nH]1 ZINC000095598868 EI Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1c1ccccc1 ZINC000095599945 EI Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)N1c1ccccc1 ZINC000095599946 EI Annotated Anodyne O=C1c2cccc3cccc(c23)[C@@H](c2nc3ccccc3[nH]2)N1C1CC1 ZINC000095600235 EI Annotated Anodyne O=C1c2cccc3cccc(c23)[C@H](c2nc3ccccc3[nH]2)N1C1CC1 ZINC000095600236 EI Annotated Anodyne CCCc1nc2ccccc2n1[C@@H](CCSC)C(=O)NC(C)(C)C ZINC000095604530 EI Annotated Anodyne CCCc1nc2ccccc2n1[C@H](CCSC)C(=O)NC(C)(C)C ZINC000095604531 EI Annotated Anodyne Clc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 ZINC000095605906 EI Annotated Anodyne CCCN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 ZINC000095607131 EI Annotated Anodyne C1=C(/C=C/c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1 ZINC000095607571 EI Annotated Anodyne COc1ccccc1CN[C@H]1[C@H]2CCN[C@]1(c1ccccc1)CC=C2C ZINC000095614759 EI Annotated Anodyne CCCc1cc2c(c(OC)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 ZINC000095619844 EI Annotated Anodyne in-man CC(C)(C)Oc1ccc(OC2CC2)cc1I ZINC000095721495 EI Annotated Anodyne CC(C)(C)Oc1ccc(OC2CC2)c(I)c1 ZINC000095721626 EI Annotated Anodyne CC(C)(C)Oc1ccc(I)c(OC2CC2)c1 ZINC000095721979 EI Annotated Anodyne CC(C)(C)Oc1cccc(I)c1OC1CC1 ZINC000095722168 EI Annotated Anodyne CC(C)(C)Oc1cccc(OC2CC2)c1I ZINC000095722425 EI Annotated Anodyne CC(C)(C)Oc1cc(I)cc(OC2CC2)c1 ZINC000095722770 EI Annotated Anodyne CC(C)(C)Oc1cc(OC2CC2)ccc1I ZINC000095726107 EI Annotated Anodyne CC(C)(C)Oc1cc(I)ccc1OC1CC1 ZINC000095726211 EI Annotated Anodyne CC(C)(C)Oc1c(I)cccc1OC1CC1 ZINC000095726325 EI Annotated Anodyne CC(C)(C)Oc1ccc(I)cc1OC1CC1 ZINC000095727211 EI Annotated Anodyne CCOC(=O)c1nc(-c2ccc(Br)cc2C)cs1 ZINC000095751580 EI Annotated Anodyne COc1cc(-c2csc(Br)n2)ccc1Br ZINC000095751633 EI Annotated Anodyne CCOC(=O)c1cnc(-c2ccc(Br)cc2C)s1 ZINC000095751687 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(-c3ccccc3)c2)C1 ZINC000095752298 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(-c3ccccc3)c2)C1 ZINC000095752300 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1cccc(-c2ccccc2)c1 ZINC000095752303 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1cccc(-c2ccccc2)c1 ZINC000095752304 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1-c1ccccc1 ZINC000095752310 EI Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccccc1-c1ccccc1 ZINC000095752312 EI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)NC[C@H]1c1ccccc1 ZINC000095752853 EI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000095752854 EI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000095752858 EI Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)NC[C@H]1c1ccccc1 ZINC000095752861 EI Annotated Anodyne COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(F)c(F)c2)S1 ZINC000095755398 EI Annotated Clean COc1ccccc1NC1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000095755406 EI Annotated Clean COc1cccc(-c2nn(Cc3nnc(C4CC4)o3)c3ccccc23)c1 ZINC000095755513 EI Annotated Anodyne COc1cccc(-c2nn(Cc3nnc(C(C)C)o3)c3ccccc23)c1 ZINC000095755522 EI Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2ccccc21)Oc1ccccc1 ZINC000095755637 EI Annotated Anodyne CC(C)(C)OC(=O)n1nc(CBr)c2ccc(Cl)cc21 ZINC000095757076 EI Annotated Reactive CCn1c(=O)c([N+](=O)[O-])c(Sc2ccc(C)cc2)c2ccccc21 ZINC000095771600 EI Annotated Bother CC(C)(C)OC(=O)N1Cc2cnc(SCc3ccccc3)nc2C1 ZINC000095774496 EI Annotated Anodyne C=C/C=C/[C@@H]1C(=C)CN2[C@H]1[C@H](Cc1ccccc1)OC(=O)C21CCCC1 ZINC000095784861 EI Annotated Mild COc1ccc(CN2[C@@H](C)c3cc(OC)c(OC)cc3C[C@H]2C)cc1 ZINC000095784875 EI Annotated Anodyne COc1ccc(CN2[C@@H](C)Cc3cc(OC)c(OC)cc3[C@@H]2C)cc1 ZINC000095784877 EI Annotated Anodyne COc1ccc(CN2[C@H](C)Cc3cc(OC)c(OC)cc3[C@H]2C)cc1 ZINC000095784879 EI Annotated Anodyne COc1ccc(CN2[C@@H](C)Cc3cc(OC)c(OC)cc3[C@H]2C)cc1 ZINC000095784881 EI Annotated Anodyne C=C1CC[C@H](C)[C@](C)(CCC2=CCOC2=O)C/C=C\C=C\1C(=O)O ZINC000095786167 EI Annotated Mild O=C1O[C@@H](Cc2ccccc2)[C@H]2[C@@H]3C=CCCC=C3CN2C12CCCC2 ZINC000095798291 EI Annotated Anodyne CC1=C(C/C=N/NC(=O)CCCCCCC(=O)O)C(C)(C)CCC1 ZINC000095809000 EI Annotated Reactive CN(C)C1CN([C@@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 ZINC000095856777 EI Annotated Anodyne CN(C)C1CN([C@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 ZINC000095856779 EI Annotated Anodyne CCCCN1C(=O)C2(CCCCC2)N(c2ccc(C)cc2)C1=S ZINC000095872978 EI Annotated Anodyne C#C/C=C/C/C=C\C[C@H]1O[C@@H]([C@H](Br)CC)C[C@H]1Cl ZINC000095909814 EI Annotated Reactive in-vitro biogenic COC(=O)[C@]1(CCc2ccoc2)[C@H](C)CC[C@H]2C(C)=CC(=O)C[C@@]21C ZINC000095909979 EI Annotated Mild in-vitro biogenic C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O ZINC000095910135 EI Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]1(C)CC(=O)c1ccoc1)[C@@]23C ZINC000095910185 EI Annotated Anodyne in-vitro biogenic C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2 ZINC000095910372 EI Annotated Anodyne in-vitro biogenic CC1=CC(=O)C[C@H]2[C@@]1(C)CC(=O)[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)O ZINC000095910786 EI Annotated Mild in-vitro biogenic C[C@@H]1CC[C@]2(C)[C@H](CCC(=O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 ZINC000095910787 EI Annotated Anodyne in-vitro biogenic CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]12CC(=O)O[C@H]1O2 ZINC000095911298 EI Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 ZINC000095911936 EI Annotated Anodyne in-vitro biogenic CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)C2=C1OC(C)(C)C=C2 ZINC000095912297 EI Annotated Mild in-vitro biogenic CC1=C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@H]1CC(=O)c1ccoc1 ZINC000095912301 EI Annotated Anodyne in-vitro biogenic C=C1[C@H](OC(=O)/C=C(\C)CC)C=C(C(C)C)[C@@H]2/C(=C/C)C(=O)OC[C@@H]12 ZINC000095913863 EI Annotated Mild in-man endogenous C#C/C=C\C[C@H]1O[C@H](CC)[C@H](Br)C/C=C\C[C@H]1Cl ZINC000095913959 EI Annotated Reactive in-vitro biogenic C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 ZINC000095914580 EI Annotated Anodyne in-vitro biogenic CN(C)c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1 ZINC000095921387 EI Annotated Anodyne CN(C)c1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1 ZINC000095921388 EI Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)c1cccc(F)c1 ZINC000096018873 EI Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)c1ccc(F)cc1 ZINC000096018885 EI Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1ccco1 ZINC000096018911 EI Annotated Anodyne COc1cccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)c1 ZINC000096018926 EI Annotated Anodyne COc1ccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)cc1 ZINC000096018928 EI Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)C1CCCCC1 ZINC000096018941 EI Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)c1ccco1 ZINC000096018963 EI Annotated Anodyne O=C(Nc1ccc(F)cc1)OCCCN1C(=O)CCC12CCCCC2 ZINC000096019295 EI Annotated Anodyne CCC(=O)OCCCN1C(=O)CCC12CCC(c1ccccc1)CC2 ZINC000096019320 EI Annotated Anodyne CCCCCCCCCCCCN1CCSCCS1(=O)=O ZINC000096021237 EI Annotated Anodyne Cc1ccc(CN2CC[C@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)o1 ZINC000096070691 EI Annotated Anodyne CO[C@@]1(C)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O ZINC000096086054 EI Annotated Anodyne in-vitro CCCOc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)cc1 ZINC000096168042 EI Annotated Anodyne Nc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1Cl ZINC000096169294 EI Annotated Anodyne Nc1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1Cl ZINC000096169295 EI Annotated Anodyne O=C(C1=CCc2ccccc21)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000096169320 EI Annotated Anodyne O=C(C1=CCc2ccccc21)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000096169321 EI Annotated Anodyne Nc1cc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)ccc1Cl ZINC000096169332 EI Annotated Anodyne Nc1cc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)ccc1Cl ZINC000096169333 EI Annotated Anodyne CC1=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2C1 ZINC000096169412 EI Annotated Anodyne CC1=Nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2C1 ZINC000096169413 EI Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc(Cl)ccn3)C2)cc1 ZINC000096172926 EI Annotated Anodyne O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2)nc1 ZINC000096173331 EI Annotated Anodyne Cc1ccc(Cc2cnc(N3CCCCCC3)c(C)c2)c(C(=O)O)c1 ZINC000096173343 EI Annotated Anodyne Cc1ccc(Cc2ccc(-c3ccncc3Cl)nc2)c(C(=O)O)c1 ZINC000096173344 EI Annotated Anodyne Cc1ccc(Cc2cnc(-c3ccncc3F)c(C)c2)c(C(=O)O)c1 ZINC000096173366 EI Annotated Anodyne Cc1ccc(Cc2cnc(-c3ccccc3Cl)nc2)c(C(=O)O)c1 ZINC000096173374 EI Annotated Anodyne O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2F)nc1 ZINC000096173377 EI Annotated Anodyne O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000096173894 EI Annotated Anodyne Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173937 EI Annotated Anodyne Fc1cccc(F)c1-c1nnc2n1-c1cccnc1Nc1ccccc1-2 ZINC000096173947 EI Annotated Anodyne Fc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c(F)c1 ZINC000096173948 EI Annotated Anodyne Nc1ccc(-c2nnc3n2-c2ccccc2Nc2ccccc2-3)cc1 ZINC000096173953 EI Annotated Anodyne CC(C)(C)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096174969 EI Annotated Anodyne c1cc(Oc2ccncc2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096175041 EI Annotated Anodyne N=C(Cc1ccc2[nH]cc([C@@H]3CN4CCC3CC4)c2c1)c1ccco1 ZINC000096177599 EI Annotated Anodyne N=C(Cc1ccc2[nH]cc([C@H]3CN4CCC3CC4)c2c1)c1ccco1 ZINC000096177600 EI Annotated Anodyne COc1ccccc1Cc1cc2c(C)c(OC)c(C)c(C)c2oc1=O ZINC000096270882 EI Annotated Anodyne Cn1cc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cn1 ZINC000096282220 EI Annotated Anodyne Fc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c(F)c1 ZINC000096283010 EI Annotated Anodyne Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)c(Cl)c1 ZINC000096284408 EI Annotated Anodyne Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)cc1Cl ZINC000096284411 EI Annotated Anodyne Clc1ccccc1-c1nnc(/C=C/c2ccc3c(c2)OCO3)o1 ZINC000096284416 EI Annotated Anodyne O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000096901165 EI Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000096901166 EI Annotated Clean Cc1occc1C(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 ZINC000096902164 EI Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4OO[C@]3(C=C4C(C)C)CC[C@H]21 ZINC000096905597 EI Annotated Reactive COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)OO3 ZINC000096905598 EI Annotated Reactive NC(=O)c1cccc(-n2ncc3cc(Nc4ccccc4F)ccc32)c1 ZINC000096906423 EI Annotated Anodyne O=C(Nc1ccc(C(=O)O)s1)c1cc2c3c(c1)CCCC3CCC2 ZINC000096907120 EI Annotated Anodyne CC(=O)O[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O ZINC000096907187 EI Annotated Anodyne O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCC4CCC3)s1 ZINC000096907587 EI Annotated Anodyne Cc1nc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)cs1 ZINC000096907775 EI Annotated Anodyne N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1 ZINC000096907780 EI Annotated Mild CCn1c(-c2ccc(OC)cc2)c([N+](=O)[O-])c2ccc(OC)cc21 ZINC000096908668 EI Annotated Bother Cc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1 ZINC000096908905 EI Annotated Anodyne C=C1CC[C@H]2[C@@H](CC[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1CCO ZINC000096909736 EI Annotated Mild C=C1CC[C@H]2[C@@H](CC[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1CCO ZINC000096909737 EI Annotated Mild C=C1CC[C@@H]2[C@@H](CC[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1CCO ZINC000096909738 EI Annotated Mild C=CCn1c(-c2cccs2)nn(CN2CCC(C)CC2)c1=S ZINC000096910238 EI Annotated Mild CCCC[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1 ZINC000096910399 EI Annotated Anodyne Cc1cccc(C)c1N/N=C1/C(=O)c2cc(Cl)ccc2N=C1O ZINC000096910584 EI Annotated Mild O=C1/C(=N/Nc2ccccc2Cl)C(O)=Nc2c(Cl)cccc21 ZINC000096910588 EI Annotated Mild O=C1/C(=N/Nc2cccc(Cl)c2)C(O)=Nc2cc(Cl)ccc21 ZINC000096910610 EI Annotated Mild COC(=O)c1cc(N(C)c2ccc(OC)cc2)cc(C(F)(F)F)c1 ZINC000096910974 EI Annotated Anodyne Cc1cc(C)nc(SCc2cc(=O)c3cc(Cl)ccc3o2)n1 ZINC000096911293 EI Annotated Anodyne CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCN=C=O ZINC000096914155 EI Annotated Reactive Cc1ccoc1C(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 ZINC000096914402 EI Annotated Anodyne Nc1nc(-c2ccccc2)nc2nc3c(Cl)ccc(Cl)c3nc12 ZINC000096915918 EI Annotated Bother O=C1C=CC2(C=C1)OC[C@@H](c1ccc(-c3cccc(Cl)c3)cc1)O2 ZINC000096916471 EI Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1ccc(-c3cccc(Cl)c3)cc1)O2 ZINC000096916473 EI Annotated Mild CCCc1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1 ZINC000096916517 EI Annotated Anodyne O=C1C=CC2(C=C1)OC[C@@H](c1cccc(-c3cccc(Cl)c3)c1)O2 ZINC000096916822 EI Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1cccc(-c3cccc(Cl)c3)c1)O2 ZINC000096916824 EI Annotated Mild O=C1C=CC2(C=C1)OC[C@@H](c1cccc(-c3ccc(Cl)cc3)c1)O2 ZINC000096916826 EI Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1cccc(-c3ccc(Cl)cc3)c1)O2 ZINC000096916828 EI Annotated Mild N#C[C@]12CC=CC3=CO[C@H](Cc4cc(-c5ccccc5)c(O)cc41)[C@@H]32 ZINC000096917430 EI Annotated Mild COc1nc(-c2nc3ccccc3n2C)cc(-c2cccs2)c1C#N ZINC000096922210 EI Annotated Mild COc1nc(-c2nc3ccccc3[nH]2)cc(-c2ccc(C)o2)c1C#N ZINC000096922212 EI Annotated Mild COc1nc(-c2nc3ccccc3n2C)cc(-c2ccc(C)o2)c1C#N ZINC000096922213 EI Annotated Mild Cc1cccc2c1N(CCCCI)C=S2C ZINC000096922542 EI Annotated Reactive CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1 ZINC000096922670 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000096922672 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1cccc(OC)c1 ZINC000096922680 EI Annotated Anodyne CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccc(OC)cc1 ZINC000096922690 EI Annotated Anodyne COc1ccc(-c2cs/c(=N\N=C3\C=CC(C)(C)CC3)[nH]2)cc1 ZINC000096923750 EI Annotated Mild COc1ccc(-c2cs/c(=N\N=C(/C)CC(C)C)[nH]2)c(OC)c1 ZINC000096923755 EI Annotated Mild C=CCC/C(C)=N/N=c1/[nH]c(-c2ccc(OC)cc2OC)cs1 ZINC000096923756 EI Annotated Mild Cc1cc(O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)c1Cl ZINC000096924168 EI Annotated Mild Oc1cc(O)cc(/C=C/c2ccc(NCc3cccc(O)c3O)cc2)c1 ZINC000096926961 EI Annotated Clean CCO[P@@](=O)(NC1CCCC1)Oc1ccc(C(F)(F)F)cn1 ZINC000096927533 EI Annotated Anodyne CC1(C)CCc2cc3c(=O)c4cc(Cl)ccc4oc3c(O)c2O1 ZINC000096927745 EI Annotated Bother CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)[C@]1(C)O ZINC000096928257 EI Annotated Mild CC1=C2CC(C)(C)[C@@H]3C=C(OC3)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O ZINC000096928261 EI Annotated Mild COc1nc(-c2nc3ccccc3n2C)cc(-c2ccccc2)c1C#N ZINC000096928769 EI Annotated Mild O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 ZINC000096929564 EI Annotated Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 ZINC000096929565 EI Annotated Anodyne CC(C)CCC(=O)c1c(O)cc(CC(=O)c2ccccc2)cc1O ZINC000096929672 EI Annotated Anodyne CCc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccccc1 ZINC000096930232 EI Annotated Mild COc1ccc([C@@H]2CC(=NO)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931362 EI Annotated Mild COc1ccc([C@H]2CC(=NO)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931364 EI Annotated Mild COc1ccc([C@@H]2CC(=NO)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931366 EI Annotated Mild CC1(C)[C@@H]2C[C@H]1C(/C=C/c1ccc(O)c(Br)c1)=CC2=O ZINC000096931820 EI Annotated Mild C=C[C@@](C)(O)CC[C@@]1(C)C2=C([C@H](OC)[C@H](O)[C@H]1C)C(C)(C)CCC2 ZINC000096932713 EI Annotated Mild C=C[C@](C)(O)CC[C@@]1(C)C2=C([C@H](OC)[C@H](O)[C@H]1C)C(C)(C)CCC2 ZINC000096932714 EI Annotated Mild COc1nc(C)nc(/N=C/c2c3ccccc3cc3ccccc23)n1 ZINC000096932904 EI Annotated Mild CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc(C(F)(F)F)cc3)OC2(C)C)[C@@H]1O ZINC000096933452 EI Annotated Anodyne N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N ZINC000096933519 EI Annotated Mild Cc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)c1 ZINC000096933853 EI Annotated Mild Cc1nc(-c2ccc(Cl)cc2)cc2c1C(=O)c1ccccc1C2=O ZINC000096934754 EI Annotated Clean COc1cc(/C=C/C(=O)O)cc2cc(-c3ccccc3N(C)C)oc12 ZINC000096934935 EI Annotated Anodyne COc1cc(/C=C/C(=O)O)cc2cc(-c3cccc(N(C)C)c3)oc12 ZINC000096934936 EI Annotated Anodyne COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(N(C)C)cc3)oc12 ZINC000096934937 EI Annotated Anodyne CN(C)c1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1F ZINC000096934954 EI Annotated Anodyne CN(C)c1cc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)ccc1F ZINC000096934955 EI Annotated Anodyne COc1ccc(-c2c3cc(OC)c(OC)cc3cc3c2ncn3C)cc1 ZINC000096938725 EI Annotated Anodyne COc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1 ZINC000096938731 EI Annotated Anodyne CC(/C=C/C(=O)c1c(O)[nH]c2ccccc2c1=O)=C\c1ccccc1 ZINC000096938807 EI Annotated Mild CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3ccc(F)cc3)[C@@H]2CC1 ZINC000096939114 EI Annotated Anodyne CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3ccccc3F)[C@@H]2CC1 ZINC000096939115 EI Annotated Anodyne CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3cccc(F)c3)[C@@H]2CC1 ZINC000096939116 EI Annotated Anodyne CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C/c3ccc(F)cc3)[C@@H]2CC1 ZINC000096939257 EI Annotated Anodyne CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C/c3ccccc3F)[C@@H]2CC1 ZINC000096939258 EI Annotated Anodyne CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C/c3cccc(F)c3)[C@@H]2CC1 ZINC000096939259 EI Annotated Anodyne C/C(=N/Nc1ccc(Cl)cc1)c1c(O)ccc2c(C)cc(=O)oc12 ZINC000096939307 EI Annotated Mild Cc1cc(NCc2cncn2Cc2ccc(F)cc2F)ccc1F ZINC000096940288 EI Annotated Anodyne Fc1ccc(Cn2cncc2CNc2ccc(F)c(F)c2)c(F)c1 ZINC000096940289 EI Annotated Anodyne CCCCCCCC/C=C/N(NC(=O)COC)C(=O)OC(C)(C)C ZINC000096940453 EI Annotated Reactive CCCCCCCC/C=C\N(NC(=O)COC)C(=O)OC(C)(C)C ZINC000096940455 EI Annotated Reactive CCCCCCCCCCN(NC(=O)COC)C(=O)OC(C)(C)C ZINC000096940456 EI Annotated Reactive Nc1nn(-c2ccc(Cl)cc2)c(N)c1/N=N/c1ccc(F)cc1 ZINC000098081982 EI Annotated Clean Fc1cccc(F)c1C1=N[C@H](c2ccc(Br)cc2)CO1 ZINC000098082142 EI Annotated Anodyne Fc1cccc(F)c1C1=N[C@@H](c2ccc(Br)cc2)CO1 ZINC000098082143 EI Annotated Anodyne Fc1cccc(F)c1C1=N[C@H](c2ccc(OC(F)(F)F)cc2)CO1 ZINC000098082146 EI Annotated Anodyne Fc1cccc(F)c1C1=N[C@@H](c2ccc(OC(F)(F)F)cc2)CO1 ZINC000098082147 EI Annotated Anodyne Cc1ccc2nc3c(cc2c1)C=NN=C(NCc1ccccc1)S3 ZINC000098082440 EI Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1)S3 ZINC000098082442 EI Annotated Anodyne N=C1SCC(=O)N1c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000098082558 EI Annotated Anodyne COc1ccccc1-n1c(C)cn(C(=O)c2ccc(C)cc2)c1=S ZINC000098082796 EI Annotated Anodyne COc1cccc(-n2c(C)cn(C(=O)c3ccc(C)cc3)c2=S)c1 ZINC000098082797 EI Annotated Anodyne CN(C)CCCN1c2cccnc2Sc2cnc3ccccc3c21 ZINC000098082840 EI Annotated Anodyne Cc1c(C(=O)O)oc2cccc(OCc3ccc4nsnc4c3)c12 ZINC000098082979 EI Annotated Anodyne Cc1cccc2cc3c(nc12)SC(NCc1ccccc1)=NN=C3 ZINC000098083876 EI Annotated Anodyne O=c1sc2c(Cl)nc(-c3ccccc3)nc2n1-c1ccccc1 ZINC000098083956 EI Annotated Anodyne CO/N=C(\c1ccon1)c1ccccc1COc1ccc(Cl)cc1 ZINC000098084033 EI Annotated Mild CC1(C)CCCC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000098084529 EI Annotated Anodyne CC1(C)CCCC[C@@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000098084530 EI Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@H]3C(Cl)=NC=N[C@@H]32)cc1 ZINC000098084641 EI Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@@H]32)cc1 ZINC000098084642 EI Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@H]3C(Cl)=NC=N[C@H]32)cc1 ZINC000098084643 EI Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@H]32)cc1 ZINC000098084644 EI Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1C)S3 ZINC000098084657 EI Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(C)cc1)S3 ZINC000098084658 EI Annotated Anodyne Cc1ccsc1C1=NO[C@@](C)(COCc2c(F)cccc2F)C1 ZINC000098084791 EI Annotated Anodyne Cc1ccsc1C1=NO[C@](C)(COCc2c(F)cccc2F)C1 ZINC000098084792 EI Annotated Anodyne O=C(N/N=C/c1ccncc1)Nc1ccccc1Oc1ccccc1 ZINC000098085337 EI Annotated Reactive Cc1ccccc1NC(=S)Nn1ccnc1-c1ccc(Cl)cc1 ZINC000098085662 EI Annotated Anodyne